A0A3Q0KKD3_SCHMA Loading...

Putative beta-arrestin 1

AlphaFold DB , UniProt , Accession A0A3Q0KKD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 536 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
1M43.3Very low44.2Very low236 Ų236150.1 Ų150.1100%1.16381%0.81SS**  0123.60-73.9-179.4172.800105.3
2D42.6Very low46.2Very low161 Ų161150.1 Ų150.186%0.86180%0.801SS**  trans72.870.5177-46.4-11.5000117
3D41.6Very low48.8Very low160 Ų160139.5 Ų139.586%0.85675%0.749SS**  trans-102.598.2161.3-171.120.2000108.4
4S44.6Very low51.6Low119 Ų119130.7 Ų130.783%0.83270%0.703SS**  trans-98.394.2172.6-70.80000108.9N6S4-N6 PolarHBondContact O-N 2.73Å
5G38.5Very low54.2Low66 Ų66129.5 Ų129.568%0.6868%0.684SS**  trans-57121.8177.100000112.9N7G5-N7 PolarHBondContact O-N 3.12Å
6N41.2Very low56.8Low160 Ų160121.4 Ų121.486%0.85664%0.641SS**  trans-69.5109.8169.6-159.89.8000108.4S4 P8S4-N6 PolarHBondContact O-N 2.73Å; N6-P8 VanDerWaalsContact O-CD 3.29Å; N6-P8 WeakPolarHBondContact O-CD 3.5Å
7N42.3Very low59.1Low124 Ų124115.5 Ų115.566%0.66361%0.609SS**  trans-89.2108.7-179.8-166.13.4000109.9G5 H9G5-N7 PolarHBondContact O-N 3.12Å; N7-H9 PolarHBondContact O-N 3.43Å; N7-H9 VanDerWaalsContact O-N 3.11Å
8P48.3Very low61.2Low110 Ų110113.5 Ų113.571%0.71459%0.594SS**THydrogen-bonded Turntrans-79.815-171.132.7-35.3000114.9N6N6-P8 VanDerWaalsContact O-CD 3.29Å; N6-P8 WeakPolarHBondContact O-CD 3.5Å
9H46.4Very low63.1Low159 Ų159111.6 Ų111.674%0.73658%0.581SS**THydrogen-bonded Turntrans-111.814.2-171.4-71.7-59.2000116.5N7 K11N7-H9 PolarHBondContact O-N 3.43Å; N7-H9 VanDerWaalsContact O-N 3.11Å; H9-K11 PolarHBondContact O-N 2.82Å
10K44.9Very low64.8Low202 Ų202109.1 Ų109.188%0.87857%0.573SS**  trans-77.789172.4-143.9175.6-172.2-179.90109.2Q12K10-Q12 PolarHBondContact O-N 3.11Å; K10-Q12 VanDerWaalsContact O-N 3.12Å
11K52.2Low66.3Low154 Ų154104.1 Ų104.167%0.6755%0.547SS*.PPolyproline II helixtrans-46.2119.9168.5-83.4-178.6175.9-178.50107.9H9 G13 D484H9-K11 PolarHBondContact O-N 2.82Å; K11-G13 PolarHBondContact O-N 3.28Å; K11-D484 IonicContact NZ-OD1 3.58Å; K11-D484 PolarHBondContact NZ-OD1 2.93Å
12Q69Low68.9Low150 Ų15097.8 Ų97.870%0.70152%0.524SS*.PPolyproline II helixtrans-69.9119173.8-171.2166.929.800107.2K10K10-Q12 PolarHBondContact O-N 3.11Å; K10-Q12 VanDerWaalsContact O-N 3.12Å
13G79.2Confident71.4Confident12 Ų1292.5 Ų92.512%0.12450%0.496CS..PPolyproline II helixtrans-60.9152.9-178.100000112.5K11 R15 D487K11-G13 PolarHBondContact O-N 3.28Å; G13-R15 PolarHBondContact O-N 3.35Å; G13-D487 CarbonylContact C-O 3.45Å; G13-D487 WeakPolarHBondContact CA-O 2.85Å
14T87.8Confident74Confident17 Ų1787.1 Ų87.110%0.10448%0.478CS..PPolyproline II helixtrans-71.3118.9-178.1-51.80000109.6R150 D487 L488 I489T14-R150 PolarHBondContact OG1-NH1 3.16Å; T14-D487 PolarHBondContact N-O 3.36Å; T14-D487 VanDerWaalsContact N-O 3.09Å; T14-D487 PolarHBondContact N-OD1 2.81Å; T14-D487 PolarHBondContact OG1-OD1 3.34Å; T14-L488 HydrophobicContact CG2-CD2 4.15Å; T14-L488 WeakPolarHBondContact O-CA 3.34Å; T14-I489 PolarHBondContact O-N 3.2Å
15R91.4Very high76.5Confident112 Ų11284.7 Ų84.742%0.42345%0.453SS..EExtended strand (participates in β ladder)trans-79.9138.2-179.5-62.2178.1-174.3-130.20.9111.3G13 I489 E491G13-R15 PolarHBondContact O-N 3.35Å; R15-I489 CarbonylContact C-O 3.56Å; R15-I489 WeakPolarHBondContact CA-O 3.29Å; R15-E491 WeakPolarHBondContact CD-OE1 3Å; R15-E491 IonicContact CZ-OE1 3.29Å; R15-E491 IonicContact NE-OE1 3.4Å; R15-E491 IonicContact NH1-OE1 3.61Å; R15-E491 PolarHBondContact NH1-OE1 2.66Å; R15-E491 IonicContact NH1-OE2 3.57Å
16V94.8Very high79.3Confident0 Ų081.6 Ų81.60%042%0.42CS..EExtended strand (participates in β ladder)trans-133.2122.5176.1-1790000109.4Y29 L30 L147 L151 L488 I489 F490 E491V16-Y29 HydrophobicContact CG1-CD1 4.18Å; V16-L30 CarbonylContact C-O 3.56Å; V16-L147 HydrophobicContact CG2-CD1 4.07Å; V16-L151 HydrophobicContact CG1-CD1 4.25Å; V16-L151 HydrophobicContact CG1-CD2 4.02Å; V16-L151 HydrophobicContact CG2-CD2 4.25Å; V16-L488 HydrophobicContact CG2-CD2 4.13Å; V16-I489 PolarHBondContact N-O 2.68Å; V16-F490 HydrophobicContact CB-CD1 3.96Å; V16-F490 HydrophobicContact CB-CE1 4.2Å; V16-F490 HydrophobicContact CG1-CD1 4.17Å; V16-F490 HydrophobicContact CG1-CE1 4.22Å; V16-F490 CarbonylContact O-C 3.53Å; V16-F490 WeakPolarHBondContact O-CA 3.49Å; V16-E491 PolarHBondContact O-N 2.85Å
17F96.6Very high82Confident22 Ų2274.5 Ų74.510%0.09638%0.383CS..EExtended strand (participates in β ladder)trans-79.9138.2174.2-58.5-77.2000110.6Y29 L30 C31 R33 E491 F493F17-Y29 CarbonylContact O-C 3.52Å; F17-Y29 VanDerWaalsContact O-CA 3.31Å; F17-Y29 WeakPolarHBondContact O-CA 3.43Å; F17-L30 PolarHBondContact N-O 3.46Å; F17-L30 PolarHBondContact O-N 2.94Å; F17-C31 WeakPolarHBondContact CD2-O 3.44Å; F17-C31 VanDerWaalsContact CE2-O 3.28Å; F17-C31 WeakPolarHBondContact CE2-O 3.15Å; F17-R33 HydrophobicContact CD1-CG 4.14Å; F17-R33 HydrophobicContact CD2-CG 3.62Å; F17-R33 HydrophobicContact CE1-CG 4.26Å; F17-R33 HydrophobicContact CE2-CG 3.76Å; F17-R33 HydrophobicContact CG-CG 3.82Å; F17-R33 HydrophobicContact CZ-CG 4.08Å; F17-E491 CarbonylContact C-O 3.54Å; F17-E491 VanDerWaalsContact CA-O 3.32Å; F17-E491 WeakPolarHBondContact CA-O 3.11Å; F17-E491 HydrophobicContact CD1-CB 4.16Å; F17-E491 HydrophobicContact CE1-CB 4.34Å; F17-F493 HydrophobicContact CB-CB 4.26Å; F17-F493 HydrophobicContact CB-CD2 3.79Å; F17-F493 HydrophobicContact CB-CG 4.49Å; F17-F493 HydrophobicContact CG-CD2 4.39Å
18K96.5Very high84.6Confident79 Ų7968.6 Ų68.634%0.34335%0.352SS..EExtended strand (participates in β ladder)trans-131.4156.6174.271179.7-179.2-178.30112.3T27 T28 Y29 F490 E491 F493K18-T27 HydrophobicContact CB-CG2 4.26Å; K18-T28 CarbonylContact C-O 3.56Å; K18-T28 VanDerWaalsContact CA-O 3.27Å; K18-T28 WeakPolarHBondContact CA-O 3.32Å; K18-Y29 HydrophobicContact CB-CD1 3.57Å; K18-Y29 HydrophobicContact CB-CE1 3.64Å; K18-Y29 HydrophobicContact CB-CG 4.22Å; K18-Y29 HydrophobicContact CD-CD1 4.45Å; K18-Y29 HydrophobicContact CD-CE1 3.72Å; K18-Y29 HydrophobicContact CG-CE1 4.32Å; K18-F490 HydrophobicContact CD-CB 4.16Å; K18-F490 HydrophobicContact CD-CG 4.48Å; K18-E491 PolarHBondContact N-O 3.36Å; K18-F493 PolarHBondContact O-N 3.43Å
19K97.6Very high87Confident78 Ų7864 Ų6434%0.33932%0.32SS..EExtended strand (participates in β ladder)trans-151.9132.9168-168.4175.2179.5176.20111T27 T28 V211 R212 L213 F493K19-T27 WeakPolarHBondContact O-CA 3.47Å; K19-T28 PolarHBondContact N-O 3.12Å; K19-T28 PolarHBondContact O-N 2.93Å; K19-V211 HydrophobicContact CB-CG1 3.85Å; K19-V211 HydrophobicContact CD-CG1 4.04Å; K19-V211 HydrophobicContact CG-CG1 3.97Å; K19-R212 PolarHBondContact NZ-O 2.87Å; K19-L213 HydrophobicContact CB-CD2 3.6Å; K19-L213 HydrophobicContact CD-CD2 3.58Å; K19-L213 HydrophobicContact CD-CG 4.5Å; K19-L213 HydrophobicContact CG-CD2 4.25Å; K19-F493 HydrophobicContact CB-CB 4.31Å
20S97.3Very high89.3Confident61 Ų6156.5 Ų56.543%0.42729%0.285SS..EExtended strand (participates in β ladder)trans-93.3153.5176.1-55.80000111.6I26 T27S20-I26 WeakPolarHBondContact CA-O 3.35Å; S20-T27 WeakPolarHBondContact CB-OG1 3.41Å; S20-T27 WeakPolarHBondContact OG-CG2 3.31Å; S20-T27 PolarHBondContact OG-OG1 3.07Å
21S97Very high91.5Very high4 Ų448.2 Ų48.23%0.02825%0.253CS..  trans-66.415616942.30000109.8N23 G24 K25 I26 V211S21-N23 WeakPolarHBondContact CB-OD1 3.44Å; S21-N23 PolarHBondContact O-N 3.36Å; S21-N23 VanDerWaalsContact O-N 3.11Å; S21-N23 PolarHBondContact OG-OD1 3.11Å; S21-G24 WeakPolarHBondContact O-CA 3.23Å; S21-G24 PolarHBondContact O-N 3.15Å; S21-K25 PolarHBondContact OG-N 3.3Å; S21-I26 PolarHBondContact N-O 3.32Å; S21-I26 WeakPolarHBondContact OG-CG1 3.46Å; S21-I26 PolarHBondContact OG-N 3.01Å; S21-I26 PolarHBondContact OG-O 2.77Å; S21-V211 VanDerWaalsContact N-CG2 3.33Å
22P96.8Very high93.4Very high103 Ų10343.4 Ų43.467%0.66923%0.232SC*.THydrogen-bonded Turntrans-56.4-28.6-179.7-28.935.9000115K207 R208 A210P22-K207 WeakPolarHBondContact CD-O 3.31Å; P22-K207 WeakPolarHBondContact CG-O 3.48Å; P22-R208 WeakPolarHBondContact CD-O 3.21Å; P22-A210 WeakPolarHBondContact CD-O 3.47Å
23N95.2Very high94.6Very high50 Ų5038.1 Ų38.127%0.26721%0.205SC..THydrogen-bonded Turntrans-87.2-0.9174.668.5-2.2000114.1S21 K25 Y55 R208S21-N23 WeakPolarHBondContact CB-OD1 3.44Å; S21-N23 PolarHBondContact O-N 3.36Å; S21-N23 VanDerWaalsContact O-N 3.11Å; S21-N23 PolarHBondContact OG-OD1 3.11Å; N23-K25 HydrophobicContact CB-CG 4.21Å; N23-K25 WeakPolarHBondContact O-CG 2.95Å; N23-K25 PolarHBondContact O-N 3.49Å; N23-K25 WeakPolarHBondContact OD1-CB 3.44Å; N23-K25 PolarHBondContact OD1-N 3.31Å; N23-K25 VanDerWaalsContact OD1-N 3.08Å; N23-Y55 WeakPolarHBondContact ND2-CE1 3.48Å; N23-Y55 PolarHBondContact ND2-OH 2.92Å; N23-Y55 VanDerWaalsContact ND2-OH 3.12Å; N23-R208 WeakPolarHBondContact CB-O 3.46Å; N23-R208 PolarHBondContact N-O 2.81Å; N23-R208 VanDerWaalsContact N-O 3.15Å; N23-R208 PolarHBondContact OD1-O 2.96Å
24G96Very high95.4Very high48 Ų4839.5 Ų39.550%0.49521%0.21SC..SBendtrans725.9-179.600000115.6S21S21-G24 WeakPolarHBondContact O-CA 3.23Å; S21-G24 PolarHBondContact O-N 3.15Å
25K96.9Very high95.8Very high68 Ų6838.7 Ų38.730%0.29621%0.205SC..SBendtrans-89.1-17.2-167.9-60.9-56-163.7173.70115.2S21 N23 D52 Y55S21-K25 PolarHBondContact OG-N 3.3Å; N23-K25 HydrophobicContact CB-CG 4.21Å; N23-K25 WeakPolarHBondContact O-CG 2.95Å; N23-K25 PolarHBondContact O-N 3.49Å; N23-K25 WeakPolarHBondContact OD1-CB 3.44Å; N23-K25 PolarHBondContact OD1-N 3.31Å; N23-K25 VanDerWaalsContact OD1-N 3.08Å; K25-D52 HydrophobicContact CB-CB 4.3Å; K25-D52 HydrophobicContact CD-CB 4.06Å; K25-D52 WeakPolarHBondContact CD-OD2 3.44Å; K25-D52 WeakPolarHBondContact CE-OD2 3.17Å; K25-D52 IonicContact NZ-OD2 2.64Å; K25-D52 PolarHBondContact NZ-OD2 3.28Å; K25-D52 VanDerWaalsContact O-CB 3.3Å; K25-D52 WeakPolarHBondContact O-CB 3.25Å; K25-D52 PolarHBondContact O-N 3.27Å; K25-Y55 HydrophobicContact CB-CD1 3.37Å; K25-Y55 HydrophobicContact CB-CD2 4.33Å; K25-Y55 HydrophobicContact CB-CE1 3.88Å; K25-Y55 HydrophobicContact CB-CG 3.61Å; K25-Y55 HydrophobicContact CD-CD2 4.32Å; K25-Y55 HydrophobicContact CD-CG 4.01Å; K25-Y55 HydrophobicContact CG-CD1 3.74Å; K25-Y55 HydrophobicContact CG-CD2 3.73Å; K25-Y55 HydrophobicContact CG-CE1 4.2Å; K25-Y55 HydrophobicContact CG-CE2 4.2Å; K25-Y55 HydrophobicContact CG-CG 3.47Å; K25-Y55 VanDerWaalsContact CG-CG 3.47Å
26I97Very high95.9Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-133.3142.3168.557.1165.8000109.2S20 S21 V49 L50 V51 V61 T195 V197 N209 V211S20-I26 WeakPolarHBondContact CA-O 3.35Å; S21-I26 PolarHBondContact N-O 3.32Å; S21-I26 WeakPolarHBondContact OG-CG1 3.46Å; S21-I26 PolarHBondContact OG-N 3.01Å; S21-I26 PolarHBondContact OG-O 2.77Å; I26-V49 HydrophobicContact CB-CG1 4.43Å; I26-L50 CarbonylContact C-O 3.55Å; I26-L50 VanDerWaalsContact CA-O 3.32Å; I26-L50 WeakPolarHBondContact CA-O 3.45Å; I26-V51 HydrophobicContact CG2-CG2 4.49Å; I26-V61 HydrophobicContact CG2-CG2 4.4Å; I26-T195 HydrophobicContact CD1-CG2 4.03Å; I26-T195 WeakPolarHBondContact CD1-O 3.43Å; I26-V197 HydrophobicContact CD1-CG2 4.23Å; I26-V197 HydrophobicContact CG2-CG2 3.68Å; I26-N209 WeakPolarHBondContact CD1-O 3.27Å; I26-V211 HydrophobicContact CD1-CG2 4.07Å; I26-V211 HydrophobicContact CG1-CG2 4.04Å
27T98Very high95.9Very high12 Ų1234.9 Ų34.97%0.07419%0.193CC..EExtended strand (participates in β ladder)trans-133.5124.4175.8-57.60000110K18 K19 S20 Y29 V49 L50K18-T27 HydrophobicContact CB-CG2 4.26Å; K19-T27 WeakPolarHBondContact O-CA 3.47Å; S20-T27 WeakPolarHBondContact CB-OG1 3.41Å; S20-T27 WeakPolarHBondContact OG-CG2 3.31Å; S20-T27 PolarHBondContact OG-OG1 3.07Å; T27-Y29 HydrophobicContact CG2-CD2 4.21Å; T27-Y29 HydrophobicContact CG2-CE1 4.46Å; T27-Y29 HydrophobicContact CG2-CE2 3.51Å; T27-V49 CarbonylContact O-C 3.58Å; T27-V49 WeakPolarHBondContact O-CA 3.48Å; T27-L50 PolarHBondContact N-O 3.47Å; T27-L50 PolarHBondContact O-N 3.34Å
28T97.8Very high95.6Very high0 Ų036 Ų360%020%0.203CC..EExtended strand (participates in β ladder)trans-98.6134.1179.5-52.90000109.9K18 K19 V49 F162 L193 T195 L213K18-T28 CarbonylContact C-O 3.56Å; K18-T28 VanDerWaalsContact CA-O 3.27Å; K18-T28 WeakPolarHBondContact CA-O 3.32Å; K19-T28 PolarHBondContact N-O 3.12Å; K19-T28 PolarHBondContact O-N 2.93Å; T28-V49 HydrophobicContact CG2-CG2 4.44Å; T28-F162 HydrophobicContact CG2-CE1 3.9Å; T28-F162 HydrophobicContact CG2-CZ 3.95Å; T28-L193 HydrophobicContact CG2-CD2 4.16Å; T28-T195 VanDerWaalsContact OG1-CB 3.23Å; T28-T195 WeakPolarHBondContact OG1-CB 3.11Å; T28-T195 PolarHBondContact OG1-OG1 3.45Å; T28-L213 HydrophobicContact CG2-CD1 3.59Å
29Y97.7Very high95.2Very high13 Ų1334.9 Ų34.95%0.05120%0.201CC..EExtended strand (participates in β ladder)trans-117.3136.4179.9-62.6-99.9000110.4V16 F17 K18 T27 G47 V48 L50 L155 F490V16-Y29 HydrophobicContact CG1-CD1 4.18Å; F17-Y29 CarbonylContact O-C 3.52Å; F17-Y29 VanDerWaalsContact O-CA 3.31Å; F17-Y29 WeakPolarHBondContact O-CA 3.43Å; K18-Y29 HydrophobicContact CB-CD1 3.57Å; K18-Y29 HydrophobicContact CB-CE1 3.64Å; K18-Y29 HydrophobicContact CB-CG 4.22Å; K18-Y29 HydrophobicContact CD-CD1 4.45Å; K18-Y29 HydrophobicContact CD-CE1 3.72Å; K18-Y29 HydrophobicContact CG-CE1 4.32Å; T27-Y29 HydrophobicContact CG2-CD2 4.21Å; T27-Y29 HydrophobicContact CG2-CE1 4.46Å; T27-Y29 HydrophobicContact CG2-CE2 3.51Å; Y29-G47 WeakPolarHBondContact O-CA 3.41Å; Y29-V48 WeakPolarHBondContact CB-O 3.36Å; Y29-V48 PolarHBondContact N-O 3.15Å; Y29-V48 PolarHBondContact O-N 3.03Å; Y29-V48 VanDerWaalsContact O-N 3.09Å; Y29-L50 HydrophobicContact CE2-CB 3.76Å; Y29-L155 HydrophobicContact CD1-CD1 4.28Å; Y29-L155 HydrophobicContact CD2-CD1 3.73Å; Y29-L155 HydrophobicContact CE1-CD1 4.17Å; Y29-L155 HydrophobicContact CE1-CD2 3.99Å; Y29-L155 HydrophobicContact CE2-CD1 3.61Å; Y29-L155 HydrophobicContact CE2-CD2 4.22Å; Y29-L155 HydrophobicContact CG-CD1 4.08Å; Y29-F490 AromaticContact CD1-CD1 3.91Å; Y29-F490 HydrophobicContact CD1-CD1 3.91Å; Y29-F490 AromaticContact CD1-CE1 3.69Å; Y29-F490 HydrophobicContact CD1-CE1 3.69Å; Y29-F490 AromaticContact CE1-CD1 3.84Å; Y29-F490 HydrophobicContact CE1-CD1 3.84Å; Y29-F490 AromaticContact CE1-CE1 3.66Å; Y29-F490 HydrophobicContact CE1-CE1 3.66Å; Y29-F490 HydrophobicContact CE1-CZ 4.31Å
30L95.9Very high94.7Very high1 Ų135.6 Ų35.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-140143.7179.2-72.3176.1000110.5V16 F17 I45 E46 F162 L193 L213 I215 F493V16-L30 CarbonylContact C-O 3.56Å; F17-L30 PolarHBondContact N-O 3.46Å; F17-L30 PolarHBondContact O-N 2.94Å; L30-I45 HydrophobicContact CD2-CG2 4.24Å; L30-E46 VanDerWaalsContact CD2-O 3.24Å; L30-E46 WeakPolarHBondContact CD2-O 3.3Å; L30-F162 HydrophobicContact CD2-CE2 3.95Å; L30-F162 HydrophobicContact CD2-CZ 3.66Å; L30-L193 HydrophobicContact CD1-CD2 3.75Å; L30-L193 HydrophobicContact CD2-CD2 3.91Å; L30-L193 HydrophobicContact CG-CD2 4.14Å; L30-L213 HydrophobicContact CD1-CD1 3.93Å; L30-I215 HydrophobicContact CD1-CG2 4.12Å; L30-F493 HydrophobicContact CD1-CD2 4.37Å; L30-F493 HydrophobicContact CD1-CE2 3.79Å
31C90Very high94.2Very high29 Ų2936.1 Ų36.120%0.19622%0.219CC..SBendtrans-70-38.6171.449.20000112.8F17 L147F17-C31 WeakPolarHBondContact CD2-O 3.44Å; F17-C31 VanDerWaalsContact CE2-O 3.28Å; F17-C31 WeakPolarHBondContact CE2-O 3.15Å; C31-L147 HydrophobicContact CB-CD2 3.44Å; C31-L147 VanDerWaalsContact CB-CD2 3.44Å
32K93.3Very high94Very high53 Ų5336 Ų3623%0.2322%0.218CC..  trans-137.6157.8-172.164.9-164.6175.8-173.80112.2D34 F35 D43K32-D34 WeakPolarHBondContact CD-O 3.4Å; K32-D34 WeakPolarHBondContact CG-O 3.49Å; K32-F35 HydrophobicContact CD-CD1 4.14Å; K32-F35 HydrophobicContact CD-CE1 4.06Å; K32-F35 VanDerWaalsContact CE-CE1 3.44Å; K32-F35 HydrophobicContact CG-CD1 3.99Å; K32-F35 HydrophobicContact CG-CE1 3.5Å; K32-F35 VanDerWaalsContact CG-CE1 3.5Å; K32-F35 HydrophobicContact CG-CE2 4.4Å; K32-F35 HydrophobicContact CG-CZ 3.75Å; K32-F35 WeakPolarHBondContact O-CZ 3.34Å; K32-D43 IonicContact NZ-OD1 3.02Å; K32-D43 IonicContact NZ-OD2 3.13Å; K32-D43 PolarHBondContact NZ-OD2 3.43Å
33R94.8Very high93.8Very high38 Ų3833.5 Ų33.514%0.14320%0.199CC..SBendtrans-105.3-15.8177.5-45.5-175.1-74.2-155.9-11.6112.2F17 I215 R216 F493 A494 R495F17-R33 HydrophobicContact CD1-CG 4.14Å; F17-R33 HydrophobicContact CD2-CG 3.62Å; F17-R33 HydrophobicContact CE1-CG 4.26Å; F17-R33 HydrophobicContact CE2-CG 3.76Å; F17-R33 HydrophobicContact CG-CG 3.82Å; F17-R33 HydrophobicContact CZ-CG 4.08Å; R33-I215 CarbonylContact O-C 3.6Å; R33-I215 VanDerWaalsContact O-CA 3.29Å; R33-I215 WeakPolarHBondContact O-CA 3.33Å; R33-R216 PolarHBondContact O-N 2.86Å; R33-F493 HydrophobicContact CB-CE2 3.88Å; R33-F493 HydrophobicContact CB-CZ 4.05Å; R33-F493 VanDerWaalsContact CD-O 3.25Å; R33-F493 WeakPolarHBondContact CD-O 3.34Å; R33-F493 HydrophobicContact CG-CD2 3.8Å; R33-F493 HydrophobicContact CG-CE2 3.51Å; R33-F493 HydrophobicContact CG-CZ 4.06Å; R33-F493 PolarHBondContact NH1-O 3.3Å; R33-F493 VanDerWaalsContact NH1-O 3.12Å; R33-A494 PolarHBondContact NH1-O 2.9Å; R33-R495 PolarHBondContact O-NH2 3.02Å
34D95.7Very high93.7Very high41 Ų4132.5 Ų32.522%0.21920%0.195CC..EExtended strand (participates in β ladder)trans-124.1129.2-177.5-57.8-26.1000108K32 R216 L218 R495K32-D34 WeakPolarHBondContact CD-O 3.4Å; K32-D34 WeakPolarHBondContact CG-O 3.49Å; D34-R216 CarbonylContact C-O 3.48Å; D34-R216 WeakPolarHBondContact CA-O 3.42Å; D34-R216 VanDerWaalsContact CG-NH2 3.33Å; D34-R216 IonicContact OD1-CZ 3.97Å; D34-R216 IonicContact OD1-NE 3.97Å; D34-R216 PolarHBondContact OD1-NE 3.02Å; D34-R216 IonicContact OD1-NH2 3.25Å; D34-R216 PolarHBondContact OD1-NH2 3.43Å; D34-R216 IonicContact OD2-CZ 2.88Å; D34-R216 IonicContact OD2-NE 2.8Å; D34-R216 IonicContact OD2-NH2 3.25Å; D34-R216 PolarHBondContact OD2-NH2 2.86Å; D34-L218 HydrophobicContact CB-CD1 3.76Å; D34-L218 HydrophobicContact CB-CG 4.33Å; D34-R495 IonicContact OD1-CZ 2.7Å; D34-R495 IonicContact OD1-NH2 3.64Å; D34-R495 PolarHBondContact OD1-NH2 3.21Å
35F95.1Very high93.6Very high1 Ų130.2 Ų30.20%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-117117.2-175.4-63.1-89.3000107.7K32 D43 P44 I45 I215 R216 K217 L218K32-F35 HydrophobicContact CD-CD1 4.14Å; K32-F35 HydrophobicContact CD-CE1 4.06Å; K32-F35 VanDerWaalsContact CE-CE1 3.44Å; K32-F35 HydrophobicContact CG-CD1 3.99Å; K32-F35 HydrophobicContact CG-CE1 3.5Å; K32-F35 VanDerWaalsContact CG-CE1 3.5Å; K32-F35 HydrophobicContact CG-CE2 4.4Å; K32-F35 HydrophobicContact CG-CZ 3.75Å; K32-F35 WeakPolarHBondContact O-CZ 3.34Å; F35-D43 HydrophobicContact CB-CB 4.09Å; F35-D43 HydrophobicContact CD1-CB 4.28Å; F35-P44 WeakPolarHBondContact CD1-O 3.47Å; F35-P44 VanDerWaalsContact CE1-O 3.24Å; F35-P44 WeakPolarHBondContact CE1-O 3.47Å; F35-I45 HydrophobicContact CD1-CB 4.35Å; F35-I45 HydrophobicContact CD1-CG1 3.68Å; F35-I45 HydrophobicContact CD2-CG1 4.1Å; F35-I45 VanDerWaalsContact CE1-CA 3.47Å; F35-I45 HydrophobicContact CE1-CB 3.93Å; F35-I45 HydrophobicContact CE1-CG1 3.71Å; F35-I45 HydrophobicContact CE1-CG2 4.13Å; F35-I45 HydrophobicContact CE2-CG1 4.08Å; F35-I45 HydrophobicContact CE2-CG2 4.39Å; F35-I45 HydrophobicContact CG-CG1 3.93Å; F35-I45 HydrophobicContact CZ-CB 4.12Å; F35-I45 HydrophobicContact CZ-CG1 3.9Å; F35-I45 HydrophobicContact CZ-CG2 3.82Å; F35-I215 HydrophobicContact CD2-CB 4.16Å; F35-I215 HydrophobicContact CD2-CD1 4.28Å; F35-I215 HydrophobicContact CE2-CB 3.82Å; F35-I215 HydrophobicContact CE2-CD1 4.06Å; F35-I215 HydrophobicContact CE2-CG1 4.5Å; F35-I215 HydrophobicContact CE2-CG2 3.84Å; F35-R216 PolarHBondContact N-O 3.05Å; F35-K217 WeakPolarHBondContact O-CA 3.49Å; F35-L218 PolarHBondContact O-N 2.99Å
36I94.8Very high93.4Very high21 Ų2128.5 Ų28.511%0.10817%0.165CC..EExtended strand (participates in β ladder)trans-83.5129.8-173.3-57.6-71.1000110D43 L218 Y220 P399I36-D43 WeakPolarHBondContact CB-OD2 3.23Å; I36-D43 PolarHBondContact N-OD2 2.92Å; I36-D43 WeakPolarHBondContact O-CB 3.47Å; I36-D43 PolarHBondContact O-N 2.86Å; I36-L218 CarbonylContact C-O 3.38Å; I36-L218 WeakPolarHBondContact CA-O 3.45Å; I36-L218 HydrophobicContact CD1-CB 4.02Å; I36-L218 HydrophobicContact CD1-CD1 4.49Å; I36-Y220 HydrophobicContact CG2-CG 4.35Å; I36-P399 HydrophobicContact CB-CG 4.44Å; I36-P399 HydrophobicContact CG1-CB 4.31Å; I36-P399 HydrophobicContact CG1-CG 4.04Å; I36-P399 HydrophobicContact CG2-CG 4.32Å
37D93.9Very high93.2Very high11 Ų1128.5 Ų28.56%0.05917%0.165CC..EExtended strand (participates in β ladder)trans-97.4111.3168.4173.89.9000108.8L39 V42 K217 L218 Y220D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 WeakPolarHBondContact OD1-CA 3.23Å; D37-L39 PolarHBondContact OD1-N 2.91Å; D37-V42 HydrophobicContact CB-CG1 4.43Å; D37-V42 HydrophobicContact CB-CG2 4.03Å; D37-K217 HydrophobicContact CB-CG 4.35Å; D37-K217 IonicContact OD2-NZ 3.81Å; D37-K217 PolarHBondContact OD2-NZ 2.85Å; D37-L218 PolarHBondContact N-O 3.08Å; D37-Y220 PolarHBondContact O-N 2.93Å; D37-Y220 VanDerWaalsContact O-O 3.11Å
38S91.2Very high93.1Very high44 Ų4427.9 Ų27.931%0.30816%0.161SC..  trans-89.810.9-178.565.40000113.7A40 D41 Y220S38-A40 PolarHBondContact O-N 3.08Å; S38-D41 PolarHBondContact N-O 2.76Å; S38-D41 PolarHBondContact OG-N 2.84Å; S38-D41 VanDerWaalsContact OG-N 3.14Å; S38-D41 PolarHBondContact OG-O 3.49Å; S38-Y220 WeakPolarHBondContact CA-O 3.5Å
39L87.3Confident93.1Very high57 Ų5727.9 Ų27.930%0.29816%0.161SC..SBendtrans67.3-25.8-170.7-48.5175000114.9D37 T219 A221 I355D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 WeakPolarHBondContact OD1-CA 3.23Å; D37-L39 PolarHBondContact OD1-N 2.91Å; L39-T219 HydrophobicContact CD2-CG2 4.03Å; L39-A221 HydrophobicContact CD1-CB 4.02Å; L39-I355 HydrophobicContact CD1-CD1 3.79Å; L39-I355 HydrophobicContact CD1-CG2 4.46Å; L39-I355 HydrophobicContact CD2-CB 4.15Å; L39-I355 HydrophobicContact CD2-CD1 3.92Å; L39-I355 HydrophobicContact CD2-CG2 4.09Å; L39-I355 HydrophobicContact CG-CD1 4.43Å
40A86.5Confident93.1Very high93 Ų9329.6 Ų29.677%0.76917%0.171SC*.SBendtrans-91.2-40.9172.200000111.8S38S38-A40 PolarHBondContact O-N 3.08Å
41D88.3Confident93.2Very high72 Ų7229.7 Ų29.739%0.38517%0.172SC..  trans-148150.9179.2-162.932.6000111.2S38 K165S38-D41 PolarHBondContact N-O 2.76Å; S38-D41 PolarHBondContact OG-N 2.84Å; S38-D41 VanDerWaalsContact OG-N 3.14Å; S38-D41 PolarHBondContact OG-O 3.49Å; D41-K165 WeakPolarHBondContact OD1-CE 3.24Å; D41-K165 IonicContact OD1-NZ 3.89Å; D41-K165 PolarHBondContact OD1-NZ 3.4Å; D41-K165 IonicContact OD2-NZ 3.81Å
42V91.5Very high93.5Very high2 Ų230.1 Ų30.11%0.01217%0.172CC..BIsolated β-bridgetrans-104127.3173.1-172.20000108.5D37 L166 K217D37-V42 HydrophobicContact CB-CG1 4.43Å; D37-V42 HydrophobicContact CB-CG2 4.03Å; V42-L166 HydrophobicContact CB-CB 4.39Å; V42-L166 HydrophobicContact CG1-CB 4.02Å; V42-L166 HydrophobicContact CG1-CD1 4.28Å; V42-K217 HydrophobicContact CG1-CG 4.46Å
43D92.9Very high93.5Very high49 Ų4930.1 Ų30.126%0.26218%0.178SC..  trans-42.8125.2170.9-87.2-6.4000111.8K32 F35 I36K32-D43 IonicContact NZ-OD1 3.02Å; K32-D43 IonicContact NZ-OD2 3.13Å; K32-D43 PolarHBondContact NZ-OD2 3.43Å; F35-D43 HydrophobicContact CB-CB 4.09Å; F35-D43 HydrophobicContact CD1-CB 4.28Å; I36-D43 WeakPolarHBondContact CB-OD2 3.23Å; I36-D43 PolarHBondContact N-OD2 2.92Å; I36-D43 WeakPolarHBondContact O-CB 3.47Å; I36-D43 PolarHBondContact O-N 2.86Å
44P92.8Very high93.5Very high29 Ų2935.6 Ų35.619%0.18821%0.205CC..  trans-70.7148.4-178.528.5-34.8000111.8F35 E46 Y163F35-P44 WeakPolarHBondContact CD1-O 3.47Å; F35-P44 VanDerWaalsContact CE1-O 3.24Å; F35-P44 WeakPolarHBondContact CE1-O 3.47Å; P44-E46 PolarHBondContact O-N 2.94Å; P44-Y163 HydrophobicContact CB-CD2 4.28Å; P44-Y163 HydrophobicContact CB-CE1 4.07Å; P44-Y163 HydrophobicContact CB-CE2 3.42Å; P44-Y163 VanDerWaalsContact CB-CE2 3.42Å; P44-Y163 VanDerWaalsContact CB-OH 3.23Å; P44-Y163 WeakPolarHBondContact CB-OH 3.42Å; P44-Y163 HydrophobicContact CG-CE2 3.88Å
45I94.3Very high93.4Very high0 Ų036.1 Ų36.10%020%0.204CC..EExtended strand (participates in β ladder)trans-90.291.2171.7-52.9162.6000107.7L30 F35 V65 F162 Y163 F164 L166 L193 I215L30-I45 HydrophobicContact CD2-CG2 4.24Å; F35-I45 HydrophobicContact CD1-CB 4.35Å; F35-I45 HydrophobicContact CD1-CG1 3.68Å; F35-I45 HydrophobicContact CD2-CG1 4.1Å; F35-I45 VanDerWaalsContact CE1-CA 3.47Å; F35-I45 HydrophobicContact CE1-CB 3.93Å; F35-I45 HydrophobicContact CE1-CG1 3.71Å; F35-I45 HydrophobicContact CE1-CG2 4.13Å; F35-I45 HydrophobicContact CE2-CG1 4.08Å; F35-I45 HydrophobicContact CE2-CG2 4.39Å; F35-I45 HydrophobicContact CG-CG1 3.93Å; F35-I45 HydrophobicContact CZ-CB 4.12Å; F35-I45 HydrophobicContact CZ-CG1 3.9Å; F35-I45 HydrophobicContact CZ-CG2 3.82Å; I45-V65 HydrophobicContact CD1-CG1 3.82Å; I45-V65 HydrophobicContact CD1-CG2 3.86Å; I45-F162 HydrophobicContact CG2-CE2 4.34Å; I45-Y163 CarbonylContact O-C 3.57Å; I45-Y163 WeakPolarHBondContact O-CA 3.3Å; I45-F164 HydrophobicContact CB-CB 4.17Å; I45-F164 HydrophobicContact CD1-CB 4.47Å; I45-F164 PolarHBondContact N-O 2.86Å; I45-F164 PolarHBondContact O-N 3.43Å; I45-L166 HydrophobicContact CD1-CD1 4.17Å; I45-L166 HydrophobicContact CD1-CD2 4.12Å; I45-L166 HydrophobicContact CD1-CG 3.95Å; I45-L193 HydrophobicContact CG2-CD1 4.33Å; I45-I215 HydrophobicContact CD1-CD1 3.59Å; I45-I215 HydrophobicContact CG1-CD1 4.25Å; I45-I215 HydrophobicContact CG2-CD1 4.49Å
46E92Very high93.3Very high32 Ų3236 Ų3615%0.1520%0.204CC..EExtended strand (participates in β ladder)trans-103.4142.2176.659.5176.4-175.300111.4L30 P44 T145 L147 Y163L30-E46 VanDerWaalsContact CD2-O 3.24Å; L30-E46 WeakPolarHBondContact CD2-O 3.3Å; P44-E46 PolarHBondContact O-N 2.94Å; E46-T145 WeakPolarHBondContact OE2-CB 3.41Å; E46-T145 WeakPolarHBondContact OE2-CG2 3.37Å; E46-T145 PolarHBondContact OE2-OG1 3.24Å; E46-L147 HydrophobicContact CG-CD2 4.22Å; E46-Y163 HydrophobicContact CB-CD2 4.15Å
47G94.3Very high93Very high0 Ų043.3 Ų43.30%024%0.235CC..EExtended strand (participates in β ladder)trans-170.4-176175.100000113.6Y29 P161 F162Y29-G47 WeakPolarHBondContact O-CA 3.41Å; G47-P161 WeakPolarHBondContact O-CA 3.5Å; G47-F162 VanDerWaalsContact CA-CZ 3.47Å; G47-F162 PolarHBondContact N-O 2.71Å; G47-F162 VanDerWaalsContact N-O 3.12Å; G47-F162 WeakPolarHBondContact O-CD1 3.26Å; G47-F162 PolarHBondContact O-N 2.99Å
48V95.6Very high92.7Very high0 Ų046.6 Ų46.60%027%0.271CS..EExtended strand (participates in β ladder)trans-134.3142-179.5178.10000109.3Y29 Q148 L151 I152 L155 A159 F160Y29-V48 WeakPolarHBondContact CB-O 3.36Å; Y29-V48 PolarHBondContact N-O 3.15Å; Y29-V48 PolarHBondContact O-N 3.03Å; Y29-V48 VanDerWaalsContact O-N 3.09Å; V48-Q148 HydrophobicContact CG2-CB 4.27Å; V48-Q148 HydrophobicContact CG2-CG 4.17Å; V48-L151 HydrophobicContact CB-CB 4.29Å; V48-L151 HydrophobicContact CB-CD1 4.28Å; V48-L151 HydrophobicContact CG2-CB 3.79Å; V48-L151 HydrophobicContact CG2-CD1 3.94Å; V48-I152 HydrophobicContact CG1-CG1 4.29Å; V48-I152 HydrophobicContact CG2-CG1 4.29Å; V48-L155 HydrophobicContact CG1-CD1 4.18Å; V48-A159 HydrophobicContact CG1-CB 3.67Å; V48-F160 CarbonylContact C-O 3.57Å; V48-F160 WeakPolarHBondContact CA-O 3.44Å
49V97.3Very high92.9Very high0 Ų047.1 Ų47.10%027%0.266CS..EExtended strand (participates in β ladder)trans-112.3119.7173-1750000108.8I26 T27 T28 V51 V61 V94 A159 F160 F162 T195I26-V49 HydrophobicContact CB-CG1 4.43Å; T27-V49 CarbonylContact O-C 3.58Å; T27-V49 WeakPolarHBondContact O-CA 3.48Å; T28-V49 HydrophobicContact CG2-CG2 4.44Å; V49-V51 HydrophobicContact CG1-CG2 3.88Å; V49-V61 HydrophobicContact CG1-CG1 4.27Å; V49-V94 HydrophobicContact CB-CG1 3.93Å; V49-V94 HydrophobicContact CG2-CG1 3.99Å; V49-V94 HydrophobicContact CG2-CG2 4.49Å; V49-A159 WeakPolarHBondContact O-CA 3.28Å; V49-F160 PolarHBondContact N-O 2.82Å; V49-F160 PolarHBondContact O-N 2.76Å; V49-F162 HydrophobicContact CG2-CD1 3.77Å; V49-F162 HydrophobicContact CG2-CE1 3.79Å; V49-T195 HydrophobicContact CB-CG2 4.4Å; V49-T195 HydrophobicContact CG1-CG2 3.74Å; V49-T195 HydrophobicContact CG2-CG2 3.7Å
50L97.6Very high93.2Very high48 Ų4847.8 Ų47.825%0.25127%0.267SS..EExtended strand (participates in β ladder)trans-82.5125.5167.1-179.465.8000108.9I26 T27 Y29 L155 N158I26-L50 CarbonylContact C-O 3.55Å; I26-L50 VanDerWaalsContact CA-O 3.32Å; I26-L50 WeakPolarHBondContact CA-O 3.45Å; T27-L50 PolarHBondContact N-O 3.47Å; T27-L50 PolarHBondContact O-N 3.34Å; Y29-L50 HydrophobicContact CE2-CB 3.76Å; L50-L155 HydrophobicContact CD1-CB 4.5Å; L50-N158 HydrophobicContact CD1-CB 4.14Å
51V97.4Very high93.6Very high4 Ų443.4 Ų43.42%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-117136-174.2178.90000110.3I26 V49 P53 V56 V61 Y95 N158 F160I26-V51 HydrophobicContact CG2-CG2 4.49Å; V49-V51 HydrophobicContact CG1-CG2 3.88Å; V51-P53 VanDerWaalsContact O-CD 3.23Å; V51-P53 WeakPolarHBondContact O-CD 3.32Å; V51-V56 HydrophobicContact CG1-CB 4.41Å; V51-V56 HydrophobicContact CG1-CG2 3.42Å; V51-V56 VanDerWaalsContact CG1-CG2 3.42Å; V51-V61 HydrophobicContact CG1-CG2 4Å; V51-V61 HydrophobicContact CG2-CG2 3.99Å; V51-Y95 HydrophobicContact CG1-CG 4.5Å; V51-N158 PolarHBondContact N-O 2.77Å; V51-N158 WeakPolarHBondContact O-CB 3.41Å; V51-F160 HydrophobicContact CB-CD2 4.14Å; V51-F160 HydrophobicContact CB-CE2 4.12Å; V51-F160 HydrophobicContact CG2-CD2 3.8Å; V51-F160 HydrophobicContact CG2-CE2 4.27Å
52D96.6Very high94Very high37 Ų3740.4 Ų40.420%0.19821%0.214CC..  trans-85.3106.4167.8-177.6-16.9000110.1K25 E54 Y55 V56K25-D52 HydrophobicContact CB-CB 4.3Å; K25-D52 HydrophobicContact CD-CB 4.06Å; K25-D52 WeakPolarHBondContact CD-OD2 3.44Å; K25-D52 WeakPolarHBondContact CE-OD2 3.17Å; K25-D52 IonicContact NZ-OD2 2.64Å; K25-D52 PolarHBondContact NZ-OD2 3.28Å; K25-D52 VanDerWaalsContact O-CB 3.3Å; K25-D52 WeakPolarHBondContact O-CB 3.25Å; K25-D52 PolarHBondContact O-N 3.27Å; D52-E54 VanDerWaalsContact C-N 3.28Å; D52-E54 PolarHBondContact O-N 2.94Å; D52-E54 WeakPolarHBondContact OD1-CB 3.16Å; D52-E54 PolarHBondContact OD1-N 2.91Å; D52-Y55 PolarHBondContact O-N 2.9Å; D52-Y55 VanDerWaalsContact O-N 3.16Å; D52-Y55 PolarHBondContact OD1-N 2.79Å; D52-V56 WeakPolarHBondContact O-CG2 3.42Å; D52-V56 PolarHBondContact O-N 2.97Å; D52-V56 VanDerWaalsContact O-N 3.12Å
53P93.2Very high94.1Very high54 Ų5440.3 Ų40.335%0.35121%0.213SC..Hα-helixtrans-64.8-30.7-178.227.3-34.9000112.8V51 Y55 V56 K57V51-P53 VanDerWaalsContact O-CD 3.23Å; V51-P53 WeakPolarHBondContact O-CD 3.32Å; P53-Y55 PolarHBondContact O-N 2.75Å; P53-V56 PolarHBondContact O-N 2.86Å; P53-K57 PolarHBondContact O-N 2.99Å
54E94.2Very high94.2Very high153 Ų15339.2 Ų39.272%0.71521%0.207SC*.Hα-helixtrans-68-26.2178.1-60.4-174.6173.800111.7D52 K57D52-E54 VanDerWaalsContact C-N 3.28Å; D52-E54 PolarHBondContact O-N 2.94Å; D52-E54 WeakPolarHBondContact OD1-CB 3.16Å; D52-E54 PolarHBondContact OD1-N 2.91Å; E54-K57 WeakPolarHBondContact O-CE 3.5Å; E54-K57 WeakPolarHBondContact O-CG 3.38Å
55Y94.7Very high94.3Very high51 Ų5137.9 Ų37.920%0.220%0.198CC..Hα-helixtrans-85.6-42175.8177.5-106.6000112.6N23 K25 D52 P53 K57 R59 V197 N209N23-Y55 WeakPolarHBondContact ND2-CE1 3.48Å; N23-Y55 PolarHBondContact ND2-OH 2.92Å; N23-Y55 VanDerWaalsContact ND2-OH 3.12Å; K25-Y55 HydrophobicContact CB-CD1 3.37Å; K25-Y55 HydrophobicContact CB-CD2 4.33Å; K25-Y55 HydrophobicContact CB-CE1 3.88Å; K25-Y55 HydrophobicContact CB-CG 3.61Å; K25-Y55 HydrophobicContact CD-CD2 4.32Å; K25-Y55 HydrophobicContact CD-CG 4.01Å; K25-Y55 HydrophobicContact CG-CD1 3.74Å; K25-Y55 HydrophobicContact CG-CD2 3.73Å; K25-Y55 HydrophobicContact CG-CE1 4.2Å; K25-Y55 HydrophobicContact CG-CE2 4.2Å; K25-Y55 HydrophobicContact CG-CG 3.47Å; K25-Y55 VanDerWaalsContact CG-CG 3.47Å; D52-Y55 PolarHBondContact O-N 2.9Å; D52-Y55 VanDerWaalsContact O-N 3.16Å; D52-Y55 PolarHBondContact OD1-N 2.79Å; P53-Y55 PolarHBondContact O-N 2.75Å; Y55-K57 PolarHBondContact O-N 2.92Å; Y55-R59 VanDerWaalsContact CE1-NH2 3.26Å; Y55-R59 VanDerWaalsContact CZ-NH2 3.32Å; Y55-R59 PolarHBondContact O-NH2 2.82Å; Y55-V197 HydrophobicContact CD1-CG2 4.46Å; Y55-V197 HydrophobicContact CE1-CB 4.41Å; Y55-V197 HydrophobicContact CE1-CG1 4.47Å; Y55-V197 HydrophobicContact CE1-CG2 4.09Å; Y55-N209 HydrophobicContact CE1-CB 4.29Å
56V92.4Very high94.3Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-65-39-172.2174.80000111.9V51 D52 P53 G58 R59 V61 Y95 V197V51-V56 HydrophobicContact CG1-CB 4.41Å; V51-V56 HydrophobicContact CG1-CG2 3.42Å; V51-V56 VanDerWaalsContact CG1-CG2 3.42Å; D52-V56 WeakPolarHBondContact O-CG2 3.42Å; D52-V56 PolarHBondContact O-N 2.97Å; D52-V56 VanDerWaalsContact O-N 3.12Å; P53-V56 PolarHBondContact O-N 2.86Å; V56-G58 PolarHBondContact O-N 3.09Å; V56-R59 VanDerWaalsContact CG1-C 3.47Å; V56-R59 HydrophobicContact CG1-CB 4.05Å; V56-R59 WeakPolarHBondContact CG1-O 3.43Å; V56-R59 VanDerWaalsContact O-CB 3.23Å; V56-R59 WeakPolarHBondContact O-CB 3.32Å; V56-R59 WeakPolarHBondContact O-CG 3.31Å; V56-R59 PolarHBondContact O-N 3.06Å; V56-R59 PolarHBondContact O-NE 2.92Å; V56-R59 VanDerWaalsContact O-NE 3.11Å; V56-V61 HydrophobicContact CG2-CG2 4.03Å; V56-Y95 HydrophobicContact CB-CE1 4.22Å; V56-Y95 HydrophobicContact CG1-CD1 3.74Å; V56-Y95 HydrophobicContact CG1-CE1 3.56Å; V56-V197 HydrophobicContact CG1-CG1 4.36Å; V56-V197 HydrophobicContact CG2-CG1 4.16Å; V56-V197 HydrophobicContact CG2-CG2 4.38Å
57K89.3Confident94.3Very high174 Ų17436.7 Ų36.776%0.75719%0.192SC*.THydrogen-bonded Turntrans40.761.2171.9-59.2-166.9-179.1-172.20114.3P53 E54 Y55 R59P53-K57 PolarHBondContact O-N 2.99Å; E54-K57 WeakPolarHBondContact O-CE 3.5Å; E54-K57 WeakPolarHBondContact O-CG 3.38Å; Y55-K57 PolarHBondContact O-N 2.92Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 2.78Å
58G87.3Confident94.3Very high80 Ų8036.7 Ų36.783%0.82519%0.193SC*.THydrogen-bonded Turntrans81.6-8.4177.600000115.7V56V56-G58 PolarHBondContact O-N 3.09Å
59R94.3Very high94.1Very high54 Ų5436.7 Ų36.720%0.20419%0.193CC..  trans-73.8175.6167.4-61.1177.9-67.8164.8-5.1110.7Y55 V56 K57 V197 E199Y55-R59 VanDerWaalsContact CE1-NH2 3.26Å; Y55-R59 VanDerWaalsContact CZ-NH2 3.32Å; Y55-R59 PolarHBondContact O-NH2 2.82Å; V56-R59 VanDerWaalsContact CG1-C 3.47Å; V56-R59 HydrophobicContact CG1-CB 4.05Å; V56-R59 WeakPolarHBondContact CG1-O 3.43Å; V56-R59 VanDerWaalsContact O-CB 3.23Å; V56-R59 WeakPolarHBondContact O-CB 3.32Å; V56-R59 WeakPolarHBondContact O-CG 3.31Å; V56-R59 PolarHBondContact O-N 3.06Å; V56-R59 PolarHBondContact O-NE 2.92Å; V56-R59 VanDerWaalsContact O-NE 3.11Å; K57-R59 VanDerWaalsContact C-N 3.26Å; K57-R59 PolarHBondContact O-N 2.78Å; R59-V197 HydrophobicContact CB-CG1 3.91Å; R59-E199 HydrophobicContact CG-CG 4.02Å
60K94.6Very high93.7Very high72 Ų7238.4 Ų38.431%0.31320%0.199SC..EExtended strand (participates in β ladder)trans-112.5158.3-179.3-58.5179.5169.3-164.80110.9F62 Q93 Y95 V197 A198 E199K60-F62 HydrophobicContact CB-CD2 4.27Å; K60-F62 HydrophobicContact CB-CE2 3.56Å; K60-F62 HydrophobicContact CB-CZ 3.74Å; K60-F62 HydrophobicContact CD-CE1 4.42Å; K60-F62 HydrophobicContact CD-CE2 4.16Å; K60-F62 HydrophobicContact CD-CZ 3.59Å; K60-F62 HydrophobicContact CG-CE2 4.49Å; K60-F62 HydrophobicContact CG-CZ 4.33Å; K60-Q93 VanDerWaalsContact CD-OE1 3.3Å; K60-Y95 CarbonylContact C-O 3.58Å; K60-Y95 WeakPolarHBondContact CA-O 3.02Å; K60-Y95 WeakPolarHBondContact CB-O 3.47Å; K60-V197 CarbonylContact O-C 3.58Å; K60-V197 VanDerWaalsContact O-CA 3.28Å; K60-V197 WeakPolarHBondContact O-CA 3.32Å; K60-A198 WeakPolarHBondContact CA-O 3.45Å; K60-A198 WeakPolarHBondContact CB-O 3.29Å; K60-A198 PolarHBondContact N-O 3.22Å; K60-A198 PolarHBondContact O-N 3.31Å; K60-A198 VanDerWaalsContact O-O 3.09Å; K60-E199 WeakPolarHBondContact CD-O 3.25Å
61V95.5Very high92.9Very high0 Ų038.8 Ų38.80%020%0.198CC..EExtended strand (participates in β ladder)trans-114.7124.4169.4-174.70000108I26 V49 V51 V56 V94 Y95 T195 Y196 V197I26-V61 HydrophobicContact CG2-CG2 4.4Å; V49-V61 HydrophobicContact CG1-CG1 4.27Å; V51-V61 HydrophobicContact CG1-CG2 4Å; V51-V61 HydrophobicContact CG2-CG2 3.99Å; V56-V61 HydrophobicContact CG2-CG2 4.03Å; V61-V94 PolarHBondContact O-N 2.86Å; V61-Y95 HydrophobicContact CG2-CD1 4.32Å; V61-Y95 HydrophobicContact CG2-CG 4.46Å; V61-Y95 PolarHBondContact N-O 3.3Å; V61-Y95 PolarHBondContact O-N 2.83Å; V61-Y95 VanDerWaalsContact O-N 3.16Å; V61-T195 HydrophobicContact CG1-CG2 3.76Å; V61-Y196 WeakPolarHBondContact CA-O 3.43Å; V61-V197 HydrophobicContact CG2-CG2 4.23Å
62F95.1Very high91.6Very high10 Ų1039.8 Ų39.84%0.04421%0.208CC..EExtended strand (participates in β ladder)trans-113.8145.4177.1-61-82.2000110.1K60 A92 Q93 T195 Y196 A198 T200K60-F62 HydrophobicContact CB-CD2 4.27Å; K60-F62 HydrophobicContact CB-CE2 3.56Å; K60-F62 HydrophobicContact CB-CZ 3.74Å; K60-F62 HydrophobicContact CD-CE1 4.42Å; K60-F62 HydrophobicContact CD-CE2 4.16Å; K60-F62 HydrophobicContact CD-CZ 3.59Å; K60-F62 HydrophobicContact CG-CE2 4.49Å; K60-F62 HydrophobicContact CG-CZ 4.33Å; F62-A92 CarbonylContact C-O 3.6Å; F62-A92 WeakPolarHBondContact CA-O 3.22Å; F62-Q93 HydrophobicContact CD1-CB 3.98Å; F62-Q93 HydrophobicContact CD1-CG 4.23Å; F62-Q93 HydrophobicContact CE1-CB 3.85Å; F62-Q93 HydrophobicContact CE1-CG 3.87Å; F62-T195 CarbonylContact O-C 3.45Å; F62-T195 VanDerWaalsContact O-CA 3.25Å; F62-T195 WeakPolarHBondContact O-CA 3.17Å; F62-Y196 HydrophobicContact CB-CD1 4.44Å; F62-Y196 HydrophobicContact CB-CE1 3.8Å; F62-Y196 HydrophobicContact CB-CE2 4.24Å; F62-Y196 HydrophobicContact CD2-CE2 4.03Å; F62-Y196 PolarHBondContact N-O 3.49Å; F62-Y196 PolarHBondContact O-N 3.34Å; F62-A198 HydrophobicContact CD2-CB 4.2Å; F62-A198 HydrophobicContact CE2-CB 4.23Å; F62-T200 VanDerWaalsContact CE2-C 3.49Å
63T94.8Very high90.2Very high0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-119128.7167.6-67.50000109.1S91 A92 V94 F162 F164 L193 R194 T195T63-S91 WeakPolarHBondContact O-CA 3.31Å; T63-A92 PolarHBondContact N-O 3.42Å; T63-A92 PolarHBondContact O-N 3.39Å; T63-V94 WeakPolarHBondContact OG1-CG2 3.33Å; T63-F162 HydrophobicContact CG2-CD2 4.18Å; T63-F162 HydrophobicContact CG2-CE2 4.32Å; T63-F162 HydrophobicContact CG2-CG 4.27Å; T63-F164 HydrophobicContact CG2-CE2 3.62Å; T63-F164 HydrophobicContact CG2-CZ 3.93Å; T63-F164 VanDerWaalsContact O-CZ 3.25Å; T63-F164 WeakPolarHBondContact O-CZ 3.2Å; T63-L193 HydrophobicContact CG2-CD1 3.44Å; T63-L193 VanDerWaalsContact CG2-CD1 3.44Å; T63-L193 HydrophobicContact CG2-CG 4.01Å; T63-R194 CarbonylContact C-O 3.55Å; T63-R194 VanDerWaalsContact CA-O 3.23Å; T63-R194 WeakPolarHBondContact CA-O 3.48Å; T63-T195 WeakPolarHBondContact OG1-CG2 3.37Å; T63-T195 PolarHBondContact OG1-OG1 2.92Å
64H94.2Very high88.6Confident26 Ų2643.5 Ų43.512%0.1222%0.216CC..EExtended strand (participates in β ladder)trans-118.2137.8179.1-65.9-164.6000110.1L89 A90 S91 L193 R194 Y196H64-L89 HydrophobicContact CB-CD1 4.16Å; H64-A90 CarbonylContact C-O 3.5Å; H64-A90 WeakPolarHBondContact CA-O 3.25Å; H64-S91 PolarHBondContact CD2-OG 2.79Å; H64-S91 PolarHBondContact NE2-OG 2.96Å; H64-L193 CarbonylContact O-C 3.52Å; H64-L193 VanDerWaalsContact O-CA 3.32Å; H64-L193 WeakPolarHBondContact O-CA 3.32Å; H64-R194 HydrophobicContact CB-CB 4.44Å; H64-R194 PolarHBondContact N-O 2.93Å; H64-R194 PolarHBondContact O-N 3.28Å; H64-Y196 AromaticContact CD2-CE1 3.71Å; H64-Y196 AromaticContact CE1-CE1 3.8Å; H64-Y196 AromaticContact CE1-CZ 3.78Å; H64-Y196 PolarHBondContact CE1-OH 3.08Å; H64-Y196 AromaticContact CG-CE1 3.99Å; H64-Y196 AromaticContact NE2-CE1 3.58Å; H64-Y196 AromaticContact NE2-CZ 3.59Å; H64-Y196 PolarHBondContact NE2-OH 3.14Å
65V95.3Very high86.9Confident0 Ų040.8 Ų40.80%021%0.207CC..EExtended strand (participates in β ladder)trans-103.2117.9162.4178.30000107.9I45 Y88 L89 A90 F164 L166 L193I45-V65 HydrophobicContact CD1-CG1 3.82Å; I45-V65 HydrophobicContact CD1-CG2 3.86Å; V65-Y88 HydrophobicContact CB-CE1 4.36Å; V65-Y88 HydrophobicContact CG1-CD1 4.38Å; V65-Y88 HydrophobicContact CG1-CE1 4.08Å; V65-L89 WeakPolarHBondContact O-CA 3.49Å; V65-A90 PolarHBondContact N-O 2.98Å; V65-A90 PolarHBondContact O-N 3.48Å; V65-F164 HydrophobicContact CB-CD1 4.28Å; V65-F164 HydrophobicContact CB-CG 4.38Å; V65-F164 HydrophobicContact CG2-CB 3.85Å; V65-F164 HydrophobicContact CG2-CD1 3.75Å; V65-F164 HydrophobicContact CG2-CD2 3.58Å; V65-F164 HydrophobicContact CG2-CE1 4.2Å; V65-F164 HydrophobicContact CG2-CE2 4.06Å; V65-F164 HydrophobicContact CG2-CG 3.44Å; V65-F164 VanDerWaalsContact CG2-CG 3.44Å; V65-F164 HydrophobicContact CG2-CZ 4.37Å; V65-L166 HydrophobicContact CG1-CD2 3.88Å; V65-L193 HydrophobicContact CG2-CD1 3.46Å; V65-L193 VanDerWaalsContact CG2-CD1 3.46Å
66L93.6Very high85.2Confident7 Ų740.6 Ų40.64%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-116.8129.9179.4176.574.1000109.7R84 D86 Y88 L89 Y191 E192L66-R84 VanDerWaalsContact CD2-NH2 3.33Å; L66-D86 HydrophobicContact CD1-CB 4.05Å; L66-Y88 WeakPolarHBondContact CA-O 3.27Å; L66-L89 HydrophobicContact CB-CD1 4.45Å; L66-L89 HydrophobicContact CD1-CD1 4.2Å; L66-Y191 CarbonylContact O-C 3.6Å; L66-Y191 VanDerWaalsContact O-CA 3.32Å; L66-Y191 WeakPolarHBondContact O-CA 3.47Å; L66-E192 PolarHBondContact N-O 2.95Å; L66-E192 PolarHBondContact O-N 3.29Å
67S94.1Very high83.7Confident0 Ų044.9 Ų44.90%023%0.232CC..EExtended strand (participates in β ladder)trans-108131.8161-1750000109L87 Y88 D190 Y191S67-L87 PolarHBondContact O-N 2.96Å; S67-Y88 PolarHBondContact N-O 3.25Å; S67-Y88 PolarHBondContact O-N 3.01Å; S67-D190 WeakPolarHBondContact CA-O 3.35Å; S67-Y191 WeakPolarHBondContact OG-CE2 3.41Å; S67-Y191 VanDerWaalsContact OG-CZ 3.31Å; S67-Y191 PolarHBondContact OG-OH 3.06Å
68A92.3Very high82.2Confident1 Ų143 Ų431%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-136.5140.7176.100000111.3R84 K85 D86 V189 D190A68-R84 HydrophobicContact CB-CG 4.34Å; A68-K85 CarbonylContact C-O 3.5Å; A68-K85 WeakPolarHBondContact CA-O 3.27Å; A68-D86 WeakPolarHBondContact CB-OD1 3.43Å; A68-V189 WeakPolarHBondContact O-CA 3.36Å; A68-D190 PolarHBondContact N-O 2.63Å; A68-D190 PolarHBondContact O-N 3.5Å; A68-D190 VanDerWaalsContact O-OD1 3.07Å
69F91.9Very high81.1Confident0 Ų045.1 Ų45.10%023%0.227CC..EExtended strand (participates in β ladder)trans-86130.7161.5-179.3-98.6000109F83 R84 K85 L87 G188 V189 L288 L290 G366F69-F83 AromaticContact CD1-CD1 3.79Å; F69-F83 HydrophobicContact CD1-CD1 3.79Å; F69-F83 AromaticContact CD1-CE1 3.78Å; F69-F83 HydrophobicContact CD1-CE1 3.78Å; F69-F83 AromaticContact CE1-CD1 3.96Å; F69-F83 HydrophobicContact CE1-CD1 3.96Å; F69-F83 HydrophobicContact CE1-CE1 4.19Å; F69-R84 CarbonylContact O-C 3.58Å; F69-R84 VanDerWaalsContact O-CA 3.27Å; F69-R84 WeakPolarHBondContact O-CA 3.38Å; F69-K85 PolarHBondContact N-O 3.5Å; F69-K85 PolarHBondContact O-N 2.83Å; F69-L87 HydrophobicContact CB-CD1 4.06Å; F69-L87 HydrophobicContact CB-CD2 4.23Å; F69-L87 HydrophobicContact CB-CG 4.26Å; F69-G188 CarbonylContact C-O 3.49Å; F69-G188 WeakPolarHBondContact CA-O 3.17Å; F69-V189 HydrophobicContact CD2-CG2 4.01Å; F69-L288 HydrophobicContact CE2-CD2 4.19Å; F69-L288 HydrophobicContact CZ-CD2 4.15Å; F69-L290 HydrophobicContact CB-CD1 3.78Å; F69-L290 HydrophobicContact CD1-CB 3.88Å; F69-L290 HydrophobicContact CD1-CD1 3.86Å; F69-L290 HydrophobicContact CD2-CD1 4.41Å; F69-L290 HydrophobicContact CE1-CB 3.75Å; F69-L290 HydrophobicContact CG-CB 4.43Å; F69-L290 HydrophobicContact CG-CD1 3.76Å; F69-L290 HydrophobicContact CZ-CB 4.23Å; F69-G366 WeakPolarHBondContact CE2-O 3.01Å
70R88.6Confident79.4Confident36 Ų3645.4 Ų45.414%0.13625%0.246CC..EExtended strand (participates in β ladder)trans-122.4137.5176.3-61.9177-175.3-83.6-8.8110F83 R84 C187 G188 D190R70-F83 CarbonylContact C-O 3.55Å; R70-F83 WeakPolarHBondContact CA-O 3.23Å; R70-R84 HydrophobicContact CG-CG 4.4Å; R70-C187 CarbonylContact O-C 3.53Å; R70-C187 VanDerWaalsContact O-CA 3.26Å; R70-C187 WeakPolarHBondContact O-CA 2.85Å; R70-G188 PolarHBondContact N-O 3.08Å; R70-G188 PolarHBondContact O-N 3.37Å; R70-D190 WeakPolarHBondContact CD-OD1 3.45Å; R70-D190 IonicContact CZ-OD2 2.63Å; R70-D190 IonicContact NE-OD1 2.64Å; R70-D190 PolarHBondContact NE-OD1 2.88Å; R70-D190 IonicContact NE-OD2 3.15Å; R70-D190 PolarHBondContact NE-OD2 2.98Å; R70-D190 VanDerWaalsContact NE-OD2 3.13Å; R70-D190 IonicContact NH2-OD2 2.73Å
71Y82.4Confident78Confident56 Ų5646.6 Ų46.622%0.2226%0.255CS..EExtended strand (participates in β ladder)trans-141.4141173.4-177.2-86.6000109.6T82 F83 C187 L288 H291 N292Y71-T82 CarbonylContact O-C 3.49Å; Y71-T82 WeakPolarHBondContact O-CA 3.31Å; Y71-F83 PolarHBondContact N-O 2.88Å; Y71-F83 PolarHBondContact O-N 2.75Å; Y71-C187 HydrophobicContact CD2-CB 4.21Å; Y71-C187 VanDerWaalsContact CD2-SG 3.53Å; Y71-L288 HydrophobicContact CD2-CD1 3.89Å; Y71-L288 HydrophobicContact CE2-CD1 3.73Å; Y71-H291 AromaticContact CD1-CD2 3.4Å; Y71-H291 WeakPolarHBondContact CD1-CD2 3.38Å; Y71-H291 AromaticContact CD1-NE2 3.76Å; Y71-H291 AromaticContact CE1-CD2 3.44Å; Y71-H291 VanDerWaalsContact CE1-CD2 3.44Å; Y71-H291 WeakPolarHBondContact CE1-CD2 3.5Å; Y71-H291 AromaticContact CE1-NE2 3.68Å; Y71-N292 WeakPolarHBondContact CE2-ND2 3.41Å; Y71-N292 PolarHBondContact OH-ND2 2.87Å
72G70.3Confident76.9Confident24 Ų2448.4 Ų48.425%0.24727%0.266CS..SBendtrans97168.4179.200000114.4
73R66.7Low76Confident82 Ų8251 Ų5131%0.30928%0.278SS..  trans-90.6133.9-177.5-44.1170.5100145.1-6.8110.1D75 L76 T82 N181 S183R73-D75 WeakPolarHBondContact CB-OD1 2.94Å; R73-D75 PolarHBondContact O-N 3.31Å; R73-D75 VanDerWaalsContact O-N 3.16Å; R73-L76 HydrophobicContact CB-CD1 4.11Å; R73-L76 HydrophobicContact CB-CG 4.12Å; R73-L76 HydrophobicContact CG-CD1 4.05Å; R73-L76 WeakPolarHBondContact O-CA 2.8Å; R73-L76 WeakPolarHBondContact O-CB 3.04Å; R73-L76 PolarHBondContact O-N 2.78Å; R73-T82 WeakPolarHBondContact O-CG2 3.44Å; R73-N181 PolarHBondContact NH2-O 2.49Å; R73-S183 VanDerWaalsContact CB-O 3.31Å; R73-S183 WeakPolarHBondContact CB-O 3.29Å; R73-S183 WeakPolarHBondContact CD-O 3.41Å; R73-S183 WeakPolarHBondContact CG-O 3.27Å; R73-S183 PolarHBondContact NE-O 2.98Å; R73-S183 PolarHBondContact NE-OG 2.93Å; R73-S183 PolarHBondContact NH2-OG 3.04Å
74E59.5Low75.6Confident88 Ų8856.1 Ų56.141%0.41130%0.297SS..G310 helixtrans-59.3-29.9-175.4-61.2-165.8113.300114.2L76 D77 K185E74-L76 PolarHBondContact O-N 3.23Å; E74-D77 WeakPolarHBondContact O-CB 3.43Å; E74-D77 PolarHBondContact O-N 2.78Å; E74-D77 VanDerWaalsContact O-N 3.08Å; E74-K185 VanDerWaalsContact CD-CG 3.45Å; E74-K185 HydrophobicContact CG-CB 3.92Å; E74-K185 HydrophobicContact CG-CD 3.89Å; E74-K185 HydrophobicContact CG-CG 3.74Å; E74-K185 WeakPolarHBondContact OE1-CD 3.11Å; E74-K185 WeakPolarHBondContact OE1-CE 3.31Å; E74-K185 IonicContact OE1-NZ 3.69Å; E74-K185 PolarHBondContact OE1-NZ 3.44Å
75D57.7Low75.3Confident95 Ų9557 Ų5751%0.50830%0.3SS..G310 helixtrans-66.8-23.5174.955.1-39.9000112.5R73 D77R73-D75 WeakPolarHBondContact CB-OD1 2.94Å; R73-D75 PolarHBondContact O-N 3.31Å; R73-D75 VanDerWaalsContact O-N 3.16Å; D75-D77 VanDerWaalsContact C-N 3.35Å
76L60.3Low75.1Confident48 Ų4859.7 Ų59.725%0.25132%0.315SS..G310 helixtrans-88.51172.9-50.9175000113R73 E74 V78 L79 G80 L81R73-L76 HydrophobicContact CB-CD1 4.11Å; R73-L76 HydrophobicContact CB-CG 4.12Å; R73-L76 HydrophobicContact CG-CD1 4.05Å; R73-L76 WeakPolarHBondContact O-CA 2.8Å; R73-L76 WeakPolarHBondContact O-CB 3.04Å; R73-L76 PolarHBondContact O-N 2.78Å; E74-L76 PolarHBondContact O-N 3.23Å; L76-V78 PolarHBondContact O-N 2.59Å; L76-L79 HydrophobicContact CD2-CD1 3.95Å; L76-L79 CarbonylContact O-C 3.59Å; L76-L79 WeakPolarHBondContact O-CA 3.34Å; L76-L79 PolarHBondContact O-N 2.95Å; L76-G80 PolarHBondContact O-N 2.95Å; L76-G80 VanDerWaalsContact O-N 3.17Å; L76-L81 HydrophobicContact CB-CB 3.88Å; L76-L81 HydrophobicContact CB-CD1 4.27Å; L76-L81 HydrophobicContact CD1-CB 4.33Å; L76-L81 HydrophobicContact CD1-CD1 4.09Å; L76-L81 HydrophobicContact CD2-CD1 4.38Å; L76-L81 HydrophobicContact CG-CD1 4.5Å; L76-L81 PolarHBondContact O-N 2.64Å
77D60.2Low75Confident90 Ų9060.4 Ų60.448%0.48132%0.319SS..G310 helixtrans-53.9-38.6170.9-82.515.4000109.8E74 D75 L79 G80 T82E74-D77 WeakPolarHBondContact O-CB 3.43Å; E74-D77 PolarHBondContact O-N 2.78Å; E74-D77 VanDerWaalsContact O-N 3.08Å; D75-D77 VanDerWaalsContact C-N 3.35Å; D77-L79 PolarHBondContact O-N 2.79Å; D77-G80 PolarHBondContact O-N 2.7Å; D77-T82 WeakPolarHBondContact CA-OG1 3.39Å; D77-T82 VanDerWaalsContact CG-OG1 3.26Å; D77-T82 WeakPolarHBondContact OD1-CB 3.23Å; D77-T82 WeakPolarHBondContact OD1-CG2 3.25Å; D77-T82 PolarHBondContact OD1-OG1 3.16Å
78V58.3Low74.8Confident135 Ų13561 Ų6182%0.81832%0.321SS*.G310 helixtrans-64.9-26.9179.4-174.40000111.9L76L76-V78 PolarHBondContact O-N 2.59Å
79L62.8Low74.8Confident124 Ų12463.3 Ų63.365%0.64933%0.333SS*.G310 helixtrans-94.41.5176.9-63.3176.8000112.9L76 D77 L81L76-L79 HydrophobicContact CD2-CD1 3.95Å; L76-L79 CarbonylContact O-C 3.59Å; L76-L79 WeakPolarHBondContact O-CA 3.34Å; L76-L79 PolarHBondContact O-N 2.95Å; D77-L79 PolarHBondContact O-N 2.79Å; L79-L81 HydrophobicContact CB-CD1 4.14Å; L79-L81 HydrophobicContact CB-CG 4.11Å; L79-L81 HydrophobicContact CD1-CD1 4.41Å; L79-L81 PolarHBondContact O-N 2.63Å
80G60.3Low74.8Confident59 Ų5963.3 Ų63.361%0.60833%0.333SS*.THydrogen-bonded Turntrans67.518-177.800000114.1L76 D77 T82L76-G80 PolarHBondContact O-N 2.95Å; L76-G80 VanDerWaalsContact O-N 3.17Å; D77-G80 PolarHBondContact O-N 2.7Å; G80-T82 VanDerWaalsContact C-N 3.29Å
81L64.2Low74.9Confident98 Ų9862.6 Ų62.651%0.51333%0.334SS..  trans-89.41.2179.3-59.9172.5000112.7L76 L79L76-L81 HydrophobicContact CB-CB 3.88Å; L76-L81 HydrophobicContact CB-CD1 4.27Å; L76-L81 HydrophobicContact CD1-CB 4.33Å; L76-L81 HydrophobicContact CD1-CD1 4.09Å; L76-L81 HydrophobicContact CD2-CD1 4.38Å; L76-L81 HydrophobicContact CG-CD1 4.5Å; L76-L81 PolarHBondContact O-N 2.64Å; L79-L81 HydrophobicContact CB-CD1 4.14Å; L79-L81 HydrophobicContact CB-CG 4.11Å; L79-L81 HydrophobicContact CD1-CD1 4.41Å; L79-L81 PolarHBondContact O-N 2.63Å
82T71.6Confident75.3Confident38 Ų3860.4 Ų60.423%0.23333%0.327CS..  trans-96.3141.3169.160.10000111.1Y71 R73 D77 G80Y71-T82 CarbonylContact O-C 3.49Å; Y71-T82 WeakPolarHBondContact O-CA 3.31Å; R73-T82 WeakPolarHBondContact O-CG2 3.44Å; D77-T82 WeakPolarHBondContact CA-OG1 3.39Å; D77-T82 VanDerWaalsContact CG-OG1 3.26Å; D77-T82 WeakPolarHBondContact OD1-CB 3.23Å; D77-T82 WeakPolarHBondContact OD1-CG2 3.25Å; D77-T82 PolarHBondContact OD1-OG1 3.16Å; G80-T82 VanDerWaalsContact C-N 3.29Å
83F77.4Confident76.3Confident63 Ų6361.6 Ų61.628%0.27633%0.326SS..EExtended strand (participates in β ladder)trans-118.2125.6176.7177.3-95.3000108F69 R70 Y71 K85 L290 H291F69-F83 AromaticContact CD1-CD1 3.79Å; F69-F83 HydrophobicContact CD1-CD1 3.79Å; F69-F83 AromaticContact CD1-CE1 3.78Å; F69-F83 HydrophobicContact CD1-CE1 3.78Å; F69-F83 AromaticContact CE1-CD1 3.96Å; F69-F83 HydrophobicContact CE1-CD1 3.96Å; F69-F83 HydrophobicContact CE1-CE1 4.19Å; R70-F83 CarbonylContact C-O 3.55Å; R70-F83 WeakPolarHBondContact CA-O 3.23Å; Y71-F83 PolarHBondContact N-O 2.88Å; Y71-F83 PolarHBondContact O-N 2.75Å; F83-K85 HydrophobicContact CE1-CB 3.71Å; F83-K85 HydrophobicContact CZ-CB 3.75Å; F83-K85 HydrophobicContact CZ-CD 4.37Å; F83-L290 HydrophobicContact CE1-CB 4.11Å; F83-H291 HydrophobicContact CD1-CB 4.13Å; F83-H291 HydrophobicContact CG-CB 4.28Å; F83-H291 AromaticContact CG-ND1 3.93Å
84R86.1Confident77.5Confident108 Ų10858 Ų5841%0.40831%0.313SS..EExtended strand (participates in β ladder)trans-128.3124.5169.8178.9-178.8167.9-160.9-17.6108.5L66 A68 F69 R70 D86L66-R84 VanDerWaalsContact CD2-NH2 3.33Å; A68-R84 HydrophobicContact CB-CG 4.34Å; F69-R84 CarbonylContact O-C 3.58Å; F69-R84 VanDerWaalsContact O-CA 3.27Å; F69-R84 WeakPolarHBondContact O-CA 3.38Å; R70-R84 HydrophobicContact CG-CG 4.4Å; R84-D86 IonicContact CZ-OD1 3.55Å; R84-D86 VanDerWaalsContact CZ-OD1 3.25Å; R84-D86 IonicContact NE-OD1 2.64Å; R84-D86 PolarHBondContact NE-OD1 2.78Å; R84-D86 IonicContact NH2-OD1 3.38Å; R84-D86 PolarHBondContact NH2-OD1 3.16Å; R84-D86 IonicContact NH2-OD2 3.64Å; R84-D86 PolarHBondContact NH2-OD2 2.82Å
85K88.6Confident79.1Confident44 Ų4456.5 Ų56.519%0.19130%0.304CS..EExtended strand (participates in β ladder)trans-118.2118.4170.7-173.1176.7-177.8-178.50107.9A68 F69 F83 L87 L290A68-K85 CarbonylContact C-O 3.5Å; A68-K85 WeakPolarHBondContact CA-O 3.27Å; F69-K85 PolarHBondContact N-O 3.5Å; F69-K85 PolarHBondContact O-N 2.83Å; F83-K85 HydrophobicContact CE1-CB 3.71Å; F83-K85 HydrophobicContact CZ-CB 3.75Å; F83-K85 HydrophobicContact CZ-CD 4.37Å; K85-L87 HydrophobicContact CB-CD2 4.44Å; K85-L87 HydrophobicContact CD-CD2 4.21Å; K85-L87 HydrophobicContact CG-CD2 4.13Å; K85-L87 PolarHBondContact O-N 2.86Å; K85-L290 HydrophobicContact CB-CD1 4.4Å; K85-L290 HydrophobicContact CD-CD1 3.92Å; K85-L290 HydrophobicContact CD-CD2 4Å
86D90Very high80.7Confident58 Ų5854.7 Ų54.731%0.3130%0.297SS..EExtended strand (participates in β ladder)trans-72.8122.6170.7-67.8-17.2000107.3L66 A68 R84L66-D86 HydrophobicContact CD1-CB 4.05Å; A68-D86 WeakPolarHBondContact CB-OD1 3.43Å; R84-D86 IonicContact CZ-OD1 3.55Å; R84-D86 VanDerWaalsContact CZ-OD1 3.25Å; R84-D86 IonicContact NE-OD1 2.64Å; R84-D86 PolarHBondContact NE-OD1 2.78Å; R84-D86 IonicContact NH2-OD1 3.38Å; R84-D86 PolarHBondContact NH2-OD1 3.16Å; R84-D86 IonicContact NH2-OD2 3.64Å; R84-D86 PolarHBondContact NH2-OD2 2.82Å
87L91Very high82Confident22 Ų2253.8 Ų53.812%0.11529%0.294CS..EExtended strand (participates in β ladder)trans-95.5-30.2-174.6-56.3179.5000111.6S67 F69 K85 P171 V189 L290S67-L87 PolarHBondContact O-N 2.96Å; F69-L87 HydrophobicContact CB-CD1 4.06Å; F69-L87 HydrophobicContact CB-CD2 4.23Å; F69-L87 HydrophobicContact CB-CG 4.26Å; K85-L87 HydrophobicContact CB-CD2 4.44Å; K85-L87 HydrophobicContact CD-CD2 4.21Å; K85-L87 HydrophobicContact CG-CD2 4.13Å; K85-L87 PolarHBondContact O-N 2.86Å; L87-P171 HydrophobicContact CD1-CG 3.59Å; L87-V189 HydrophobicContact CD1-CG1 4.08Å; L87-V189 HydrophobicContact CD1-CG2 4.08Å; L87-L290 HydrophobicContact CD2-CD1 3.97Å
88Y91.2Very high82.8Confident12 Ų1252.6 Ų52.65%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-154.2137.7179.9174.4-98.2000109.8V65 L66 S67 A90 K165 L166 P167V65-Y88 HydrophobicContact CB-CE1 4.36Å; V65-Y88 HydrophobicContact CG1-CD1 4.38Å; V65-Y88 HydrophobicContact CG1-CE1 4.08Å; L66-Y88 WeakPolarHBondContact CA-O 3.27Å; S67-Y88 PolarHBondContact N-O 3.25Å; S67-Y88 PolarHBondContact O-N 3.01Å; Y88-A90 HydrophobicContact CE1-CB 3.79Å; Y88-A90 VanDerWaalsContact OH-CB 3.29Å; Y88-A90 WeakPolarHBondContact OH-CB 3.42Å; Y88-K165 PolarHBondContact OH-O 2.99Å; Y88-L166 HydrophobicContact CD1-CD2 3.95Å; Y88-L166 HydrophobicContact CE1-CD2 3.56Å; Y88-P167 HydrophobicContact CD2-CG 3.9Å; Y88-P167 VanDerWaalsContact CE2-CD 3.43Å; Y88-P167 HydrophobicContact CE2-CG 3.81Å
89L91.7Very high83.2Confident49 Ų4952.3 Ų52.326%0.25728%0.276SS..EExtended strand (participates in β ladder)trans-137.5126.8170.8177.664000109.4H64 V65 L66 T116H64-L89 HydrophobicContact CB-CD1 4.16Å; V65-L89 WeakPolarHBondContact O-CA 3.49Å; L66-L89 HydrophobicContact CB-CD1 4.45Å; L66-L89 HydrophobicContact CD1-CD1 4.2Å; L89-T116 PolarHBondContact N-O 2.96Å; L89-T116 CarbonylContact O-C 3.57Å; L89-T116 PolarHBondContact O-N 2.79Å
90A91.8Very high83Confident0 Ų049.5 Ų49.50%027%0.27CS..EExtended strand (participates in β ladder)trans-126.2140.2165.800000109.9H64 V65 Y88 P113 S115 F164H64-A90 CarbonylContact C-O 3.5Å; H64-A90 WeakPolarHBondContact CA-O 3.25Å; V65-A90 PolarHBondContact N-O 2.98Å; V65-A90 PolarHBondContact O-N 3.48Å; Y88-A90 HydrophobicContact CE1-CB 3.79Å; Y88-A90 VanDerWaalsContact OH-CB 3.29Å; Y88-A90 WeakPolarHBondContact OH-CB 3.42Å; A90-P113 HydrophobicContact CB-CB 4.26Å; A90-P113 HydrophobicContact CB-CG 4.43Å; A90-S115 WeakPolarHBondContact CB-OG 3.33Å; A90-F164 HydrophobicContact CB-CD1 3.65Å; A90-F164 HydrophobicContact CB-CE1 3.97Å
91S91.1Very high82.7Confident22 Ų2249.7 Ų49.715%0.15426%0.262CS..EExtended strand (participates in β ladder)trans-130.1134.3-177.6-178.20000111.2T63 H64 P113 T114T63-S91 WeakPolarHBondContact O-CA 3.31Å; H64-S91 PolarHBondContact CD2-OG 2.79Å; H64-S91 PolarHBondContact NE2-OG 2.96Å; S91-P113 CarbonylContact O-C 3.58Å; S91-P113 WeakPolarHBondContact O-CA 3.32Å; S91-P113 WeakPolarHBondContact O-CB 3.42Å; S91-T114 PolarHBondContact N-O 3.35Å; S91-T114 PolarHBondContact O-N 3.09Å
92A90.1Very high82Confident9 Ų955.2 Ų55.27%0.07429%0.285CS..EExtended strand (participates in β ladder)trans-123.4136170.900000110.3F62 T63 V94 P113 F164F62-A92 CarbonylContact C-O 3.6Å; F62-A92 WeakPolarHBondContact CA-O 3.22Å; T63-A92 PolarHBondContact N-O 3.42Å; T63-A92 PolarHBondContact O-N 3.39Å; A92-V94 PolarHBondContact O-N 2.93Å; A92-P113 HydrophobicContact CB-CB 4.07Å; A92-F164 HydrophobicContact CB-CE1 4.12Å; A92-F164 HydrophobicContact CB-CZ 3.66Å
93Q92.3Very high80.8Confident50 Ų5057.3 Ų57.323%0.23431%0.307CS..EExtended strand (participates in β ladder)trans-79.6110.9164.4-172.2-177.2-69.600108.4K60 F62 P96 V98K60-Q93 VanDerWaalsContact CD-OE1 3.3Å; F62-Q93 HydrophobicContact CD1-CB 3.98Å; F62-Q93 HydrophobicContact CD1-CG 4.23Å; F62-Q93 HydrophobicContact CE1-CB 3.85Å; F62-Q93 HydrophobicContact CE1-CG 3.87Å; Q93-P96 PolarHBondContact NE2-O 3.32Å; Q93-V98 HydrophobicContact CB-CG2 4.33Å; Q93-V98 HydrophobicContact CG-CG2 4.49Å
94V92.1Very high79.1Confident6 Ų658.9 Ų58.94%0.03632%0.318CS..EExtended strand (participates in β ladder)trans-87.4-34.9-178.1178.60000111.5V49 V61 T63 A92 F160 F162V49-V94 HydrophobicContact CB-CG1 3.93Å; V49-V94 HydrophobicContact CG2-CG1 3.99Å; V49-V94 HydrophobicContact CG2-CG2 4.49Å; V61-V94 PolarHBondContact O-N 2.86Å; T63-V94 WeakPolarHBondContact OG1-CG2 3.33Å; A92-V94 PolarHBondContact O-N 2.93Å; V94-F160 HydrophobicContact CG1-CB 3.47Å; V94-F160 VanDerWaalsContact CG1-CB 3.47Å; V94-F162 HydrophobicContact CG2-CB 4.05Å
95Y93Very high77Confident57 Ų5762.3 Ų62.322%0.22434%0.344CS..EExtended strand (participates in β ladder)trans-141.5137.8176.3178.7-90.4000111V51 V56 K60 V61 F160V51-Y95 HydrophobicContact CG1-CG 4.5Å; V56-Y95 HydrophobicContact CB-CE1 4.22Å; V56-Y95 HydrophobicContact CG1-CD1 3.74Å; V56-Y95 HydrophobicContact CG1-CE1 3.56Å; K60-Y95 CarbonylContact C-O 3.58Å; K60-Y95 WeakPolarHBondContact CA-O 3.02Å; K60-Y95 WeakPolarHBondContact CB-O 3.47Å; V61-Y95 HydrophobicContact CG2-CD1 4.32Å; V61-Y95 HydrophobicContact CG2-CG 4.46Å; V61-Y95 PolarHBondContact N-O 3.3Å; V61-Y95 PolarHBondContact O-N 2.83Å; V61-Y95 VanDerWaalsContact O-N 3.16Å; Y95-F160 HydrophobicContact CD2-CD2 4.06Å; Y95-F160 HydrophobicContact CD2-CE1 4.06Å; Y95-F160 AromaticContact CD2-CE2 3.5Å; Y95-F160 HydrophobicContact CD2-CE2 3.5Å; Y95-F160 AromaticContact CD2-CZ 3.51Å; Y95-F160 HydrophobicContact CD2-CZ 3.51Å; Y95-F160 HydrophobicContact CE2-CE2 4.04Å; Y95-F160 AromaticContact CE2-CZ 3.8Å; Y95-F160 HydrophobicContact CE2-CZ 3.8Å; Y95-F160 HydrophobicContact CG-CE2 4.43Å
96P91.4Very high74.7Confident56 Ų5663.8 Ų63.836%0.36436%0.359SS..SBendcis-61.9148.3-13.928.4-33.4000110.4Q93 V98Q93-P96 PolarHBondContact NE2-O 3.32Å; P96-V98 PolarHBondContact O-N 2.98Å
97P86Confident72.5Confident29 Ų2964.3 Ų64.319%0.18838%0.379CS..PPolyproline II helixtrans-57.1138.7176.4-25.635.6000111.3Y99 V109 F160P97-Y99 HydrophobicContact CB-CE2 3.89Å; P97-V109 HydrophobicContact CB-CG1 4.18Å; P97-F160 HydrophobicContact CG-CD1 3.47Å; P97-F160 VanDerWaalsContact CG-CD1 3.47Å; P97-F160 HydrophobicContact CG-CE1 3.63Å
98V77.8Confident70.5Confident66 Ų6669.4 Ų69.440%0.440%0.396SS..PPolyproline II helixtrans-99135.6173.3-173.50000107.7Q93 P96 L110Q93-V98 HydrophobicContact CB-CG2 4.33Å; Q93-V98 HydrophobicContact CG-CG2 4.49Å; P96-V98 PolarHBondContact O-N 2.98Å; V98-L110 HydrophobicContact CG1-CD1 4.41Å; V98-L110 VanDerWaalsContact O-CB 3.29Å; V98-L110 WeakPolarHBondContact O-CB 3.17Å; V98-L110 PolarHBondContact O-N 2.83Å
99Y67.1Low68.5Low129 Ų12970 Ų7051%0.50640%0.401SS..  trans-115.7146.2179.7-61.5-82.5000109.8P97 S101 R108 V109P97-Y99 HydrophobicContact CB-CE2 3.89Å; Y99-S101 VanDerWaalsContact C-N 3.29Å; Y99-S101 PolarHBondContact O-N 3.41Å; Y99-R108 WeakPolarHBondContact CD1-O 3.39Å; Y99-V109 HydrophobicContact CE1-CB 4.35Å; Y99-V109 HydrophobicContact CE1-CG2 3.76Å
100A58.9Low66.6Low64 Ų6469.9 Ų69.953%0.52940%0.401SS..SBendtrans-71-25.9-170.900000113.7L110A100-L110 HydrophobicContact CB-CD1 3.71Å; A100-L110 HydrophobicContact CB-CD2 3.51Å; A100-L110 HydrophobicContact CB-CG 3.58Å
101S53.6Low64.9Low64 Ų6470.1 Ų70.145%0.44840%0.402SS..  trans-161144.7175.958.50000107.6Y99 A103Y99-S101 VanDerWaalsContact C-N 3.29Å; Y99-S101 PolarHBondContact O-N 3.41Å; S101-A103 PolarHBondContact O-N 3.17Å
102E49.1Very low63.1Low213 Ų21371.9 Ų71.9100%0.99541%0.409SS*.THydrogen-bonded Turntrans-69.45177.9-65.7-172.9152.300113.4
103A45.8Very low61.5Low83 Ų8372.7 Ų72.769%0.68641%0.414SS*.THydrogen-bonded Turntrans-111.2-7.9-167.900000115.7S101 N105S101-A103 PolarHBondContact O-N 3.17Å; A103-N105 PolarHBondContact O-N 3.33Å
104D42.3Very low59.6Low95 Ų9575.6 Ų75.651%0.50844%0.435SS..  trans-85.796.6175-103.84.9000110C106D104-C106 PolarHBondContact O-N 2.95Å
105N41.3Very low57.7Low181 Ų18178.4 Ų78.497%0.96846%0.455SS*.  trans-69.621.8171.9-141.811.7000112.7A103A103-N105 PolarHBondContact O-N 3.33Å
106C41.5Very low55.5Low75 Ų7579.4 Ų79.451%0.50747%0.467SS..SBendtrans-121.5108.3173.9-171.40000105.3D104 R108D104-C106 PolarHBondContact O-N 2.95Å; C106-R108 PolarHBondContact O-N 3.12Å
107G42.8Very low53.4Low69 Ų6980 Ų8071%0.71148%0.477SS*.  trans-58.664.7-165.900000117.3V109G107-V109 PolarHBondContact O-N 3.26Å
108R48.6Very low51.3Low128 Ų12882.1 Ų82.148%0.48349%0.489SS..  trans-93.996.8-178.1-71.8179.6169.6179.1-3.1109.7Y99 C106 S141Y99-R108 WeakPolarHBondContact CD1-O 3.39Å; C106-R108 PolarHBondContact O-N 3.12Å; R108-S141 WeakPolarHBondContact CD-OG 3.42Å
109V50.1Low49.4Very low24 Ų2483 Ų8315%0.14550%0.497CS..  trans-65.8133.3173.9178.70000109.2P97 Y99 G107 L111P97-V109 HydrophobicContact CB-CG1 4.18Å; Y99-V109 HydrophobicContact CE1-CB 4.35Å; Y99-V109 HydrophobicContact CE1-CG2 3.76Å; G107-V109 PolarHBondContact O-N 3.26Å; V109-L111 HydrophobicContact CG1-CD2 4.29Å; V109-L111 PolarHBondContact O-N 2.84Å
110L51.1Low47.8Very low48 Ų4878.5 Ų78.525%0.25149%0.49SS..  trans-68.3101.1167-79.9176.9000108.5V98 A100 N112V98-L110 HydrophobicContact CG1-CD1 4.41Å; V98-L110 VanDerWaalsContact O-CB 3.29Å; V98-L110 WeakPolarHBondContact O-CB 3.17Å; V98-L110 PolarHBondContact O-N 2.83Å; A100-L110 HydrophobicContact CB-CD1 3.71Å; A100-L110 HydrophobicContact CB-CD2 3.51Å; A100-L110 HydrophobicContact CB-CG 3.58Å; L110-N112 PolarHBondContact O-N 2.84Å
111L57.6Low46.5Very low5 Ų583 Ų833%0.02651%0.505CS..  trans-77.5-4.5173.5-64174.7000112.7V109 P113 L142 L144 P161V109-L111 HydrophobicContact CG1-CD2 4.29Å; V109-L111 PolarHBondContact O-N 2.84Å; L111-P113 VanDerWaalsContact O-CD 3.27Å; L111-P113 WeakPolarHBondContact O-CD 3.12Å; L111-L142 HydrophobicContact CD1-CB 4.16Å; L111-L144 HydrophobicContact CD1-CD2 4.24Å; L111-L144 HydrophobicContact CD2-CD2 4.5Å; L111-P161 HydrophobicContact CD2-CB 3.68Å; L111-P161 HydrophobicContact CD2-CG 3.63Å
112N52.7Low45.4Very low58 Ų5885.2 Ų85.231%0.3152%0.521SS..  trans-77.1119.8-167.1-72.57.4000111.7L110 H138 G140 L142L110-N112 PolarHBondContact O-N 2.84Å; N112-H138 PolarHBondContact ND2-O 2.9Å; N112-H138 VanDerWaalsContact ND2-O 3.11Å; N112-G140 PolarHBondContact ND2-O 2.91Å; N112-L142 VanDerWaalsContact OD1-CD1 3.32Å; N112-L142 WeakPolarHBondContact OD1-CD1 3.34Å
113P55.5Low44.4Very low27 Ų2784.9 Ų84.918%0.17552%0.516CS..  trans-74.9145.5172.630.4-32.9000111A90 S91 A92 L111 S115 Y163 F164A90-P113 HydrophobicContact CB-CB 4.26Å; A90-P113 HydrophobicContact CB-CG 4.43Å; S91-P113 CarbonylContact O-C 3.58Å; S91-P113 WeakPolarHBondContact O-CA 3.32Å; S91-P113 WeakPolarHBondContact O-CB 3.42Å; A92-P113 HydrophobicContact CB-CB 4.07Å; L111-P113 VanDerWaalsContact O-CD 3.27Å; L111-P113 WeakPolarHBondContact O-CD 3.12Å; P113-S115 PolarHBondContact O-N 3.48Å; P113-S115 VanDerWaalsContact O-N 3.08Å; P113-Y163 WeakPolarHBondContact CD-O 3.29Å; P113-F164 HydrophobicContact CB-CD1 3.63Å; P113-F164 HydrophobicContact CB-CE1 3.37Å; P113-F164 HydrophobicContact CB-CZ 4.31Å; P113-F164 HydrophobicContact CG-CD1 3.51Å; P113-F164 HydrophobicContact CG-CE1 3.82Å; P113-F164 HydrophobicContact CG-CG 4.34Å
114T53.4Low43.7Very low111 Ų11186.1 Ų86.168%0.68152%0.517SS*.EExtended strand (participates in β ladder)trans-67106.7157.4-50.40000106.8S91S91-T114 PolarHBondContact N-O 3.35Å; S91-T114 PolarHBondContact O-N 3.09Å
115S51.8Low43.1Very low64 Ų6487.4 Ų87.445%0.44853%0.531SS..EExtended strand (participates in β ladder)trans-92.2127.1174.4-64.10000109.1A90 P113A90-S115 WeakPolarHBondContact CB-OG 3.33Å; P113-S115 PolarHBondContact O-N 3.48Å; P113-S115 VanDerWaalsContact O-N 3.08Å
116T47.9Very low42.6Very low79 Ų7982.4 Ų82.449%0.48552%0.521SS..EExtended strand (participates in β ladder)trans-119.4104.8171.7-11.50000107.7L89 V118L89-T116 PolarHBondContact N-O 2.96Å; L89-T116 CarbonylContact O-C 3.57Å; L89-T116 PolarHBondContact O-N 2.79Å; T116-V118 PolarHBondContact O-N 3.3Å
117A45.6Very low42.1Very low68 Ų6884.4 Ų84.456%0.56254%0.536SS*.  trans-72.2108.6166.100000107.6C119A117-C119 PolarHBondContact O-N 3.17Å
118V43.4Very low41.5Very low73 Ų7390 Ų9044%0.44254%0.544SS..  trans-83.171.7178.8-171.50000108.8T116 G120T116-V118 PolarHBondContact O-N 3.3Å; V118-G120 PolarHBondContact O-N 2.82Å
119C37.1Very low40.6Very low84 Ų8490.7 Ų90.757%0.56856%0.562SS**  trans-81.183.8167.9-710000109.2A117A117-C119 PolarHBondContact O-N 3.17Å
120G34.5Very low39.8Very low35 Ų3595 Ų9536%0.36159%0.593SS.*  trans-76.2136164.300000110V118V118-G120 PolarHBondContact O-N 2.82Å
121N30Very low38.7Very low159 Ų159101.8 Ų101.885%0.8562%0.624SS**SBend-133.2118.951.9-73.4-13.3000114.5
122S32.2Very low37.3Very low110 Ų110105 Ų10577%0.76966%0.658SS**  172.5133.9126.846.20000108.6P124S122-P124 WeakPolarHBondContact O-CD 3.4Å
123K26.7Very low36.3Very low207 Ų207108.9 Ų108.990%0.968%0.684SS**PPolyproline II helixtrans-88.4116.3169.9-177.3-174.1-172.1-177.80106.3
124P31.8Very low35Very low108 Ų108114.3 Ų114.370%0.70171%0.711SS**PPolyproline II helixtrans-94.3136.9162.820.9-5.5000109.6S122S122-P124 WeakPolarHBondContact O-CD 3.4Å
125P28.8Very low33.9Very low123 Ų123117 Ų11780%0.79972%0.722SS**PPolyproline II helixtrans-80.5152.8165.635.2-29.7000109.4
126G32.2Very low32.7Very low75 Ų75118.3 Ų118.377%0.77373%0.731SS**  trans96.2123.7159.500000115.1
127S30.6Very low32Very low117 Ų117121.5 Ų121.582%0.81874%0.744SS**  trans-44.7132.4162.246.80000113.6
128E30.6Very low31.6Very low188 Ų188125.4 Ų125.488%0.87975%0.75SS**  -167.6131.5129.9-104.6167.6-161.300109.6
129V29.9Very low31Very low142 Ų142127.9 Ų127.986%0.86177%0.771SS**  trans-80.6121.2-179.3174.60000107.6
130S32.7Very low31.3Very low115 Ų115125.6 Ų125.680%0.80476%0.762SS**  trans-137.7113.416752.50000109.3
131E28Very low32.3Very low190 Ų190125.5 Ų125.589%0.88876%0.756SS**  trans-65.6145.4178.6-64.6171143.500112
132G27.1Very low34.2Very low72 Ų72120.8 Ų120.874%0.74273%0.73SS**  trans111100.8161.200000114.5
133T33Very low36.5Very low140 Ų140120.2 Ų120.286%0.85972%0.724SS**  -170.3123.5115.4-55.10000108.3D135T133-D135 PolarHBondContact O-N 2.88Å
134D27.4Very low39.3Very low140 Ų140112.9 Ų112.975%0.74969%0.694SS**  trans-18109.5170.4-131.6-3.9000117.4
135D30.1Very low42.1Very low168 Ų168109.3 Ų109.390%0.89867%0.67SS**  trans-134.353.5168.8-123-2.3000108.7T133 L137T133-D135 PolarHBondContact O-N 2.88Å; D135-L137 PolarHBondContact O-N 3.46Å
136S26.8Very low45Very low92 Ų92108.5 Ų108.564%0.64365%0.651SS**  trans-8583.4176.6630000110.6
137L32.9Very low47.7Very low146 Ų146105.8 Ų105.876%0.76462%0.619SS**SBendtrans-147.597.8158.8-130.183.6000111.8D135D135-L137 PolarHBondContact O-N 3.46Å
138H37Very low50.6Low149 Ų149100.2 Ų100.269%0.6958%0.58SS**  trans87.157157.9-47.2-49.9000120.4N112 G140N112-H138 PolarHBondContact ND2-O 2.9Å; N112-H138 VanDerWaalsContact ND2-O 3.11Å; H138-G140 PolarHBondContact O-N 2.7Å; H138-G140 VanDerWaalsContact O-N 3.16Å
139S32.1Very low53.6Low126 Ų12696.3 Ų96.388%0.88156%0.562SS**  trans-79.846.4152.969.60000112.3
140G43.2Very low56.6Low36 Ų3690.6 Ų90.637%0.37153%0.525SS..SBendtrans-114.2140-175.200000112.4N112 H138 L142N112-G140 PolarHBondContact ND2-O 2.91Å; H138-G140 PolarHBondContact O-N 2.7Å; H138-G140 VanDerWaalsContact O-N 3.16Å; G140-L142 PolarHBondContact O-N 3.24Å
141S56.1Low59.5Low33 Ų3385.1 Ų85.123%0.23149%0.487CS..PPolyproline II helixtrans-58.4117.3171.662.20000110.5R108R108-S141 WeakPolarHBondContact CD-OG 3.42Å
142L68.6Low62.6Low60 Ų6078 Ų7831%0.31445%0.454SS..PPolyproline II helixtrans-77.8134.2173.6-72.6166.7000109.7L111 N112 G140 Y163L111-L142 HydrophobicContact CD1-CB 4.16Å; N112-L142 VanDerWaalsContact OD1-CD1 3.32Å; N112-L142 WeakPolarHBondContact OD1-CD1 3.34Å; G140-L142 PolarHBondContact O-N 3.24Å; L142-Y163 HydrophobicContact CD1-CD1 3.72Å; L142-Y163 HydrophobicContact CD1-CE1 3.9Å; L142-Y163 HydrophobicContact CD1-CG 4.33Å
143P80.4Confident65.8Low97 Ų9781.2 Ų81.263%0.6345%0.448SS*.PPolyproline II helixtrans-63150.3170.527.8-33.2000110.2
144L86.7Confident68.7Low53 Ų5378.5 Ų78.528%0.27742%0.424SS..PPolyproline II helixtrans-61.4144172.5-62.7179.6000109.7L111 Q148 E149 I152 P161L111-L144 HydrophobicContact CD1-CD2 4.24Å; L111-L144 HydrophobicContact CD2-CD2 4.5Å; L144-Q148 HydrophobicContact CB-CB 4.45Å; L144-E149 HydrophobicContact CB-CG 3.73Å; L144-E149 HydrophobicContact CD1-CG 4.22Å; L144-I152 HydrophobicContact CD1-CD1 4.06Å; L144-P161 HydrophobicContact CD2-CB 3.87Å; L144-P161 HydrophobicContact CD2-CG 3.57Å
145T89.3Confident71.9Confident33 Ų3373.6 Ų73.620%0.20240%0.397CS..PPolyproline II helixtrans-79.3154.2172.574.10000110.1E46 L147 Q148 E149 Y163E46-T145 WeakPolarHBondContact OE2-CB 3.41Å; E46-T145 WeakPolarHBondContact OE2-CG2 3.37Å; E46-T145 PolarHBondContact OE2-OG1 3.24Å; T145-L147 PolarHBondContact O-N 3.47Å; T145-L147 VanDerWaalsContact O-N 3.08Å; T145-Q148 WeakPolarHBondContact O-CA 3.42Å; T145-Q148 WeakPolarHBondContact O-CB 3.4Å; T145-Q148 PolarHBondContact O-N 3.46Å; T145-Q148 WeakPolarHBondContact OG1-CG 3.49Å; T145-Q148 PolarHBondContact OG1-N 2.66Å; T145-E149 PolarHBondContact O-N 3.3Å; T145-Y163 HydrophobicContact CG2-CE2 4.44Å
146R89.5Confident74.9Confident107 Ų10766.9 Ų66.940%0.40437%0.368SS..Hα-helixtrans-51.9-36.6178.4-176.5178.3177.6-171.3-2.4112.1R150R146-R150 WeakPolarHBondContact O-CB 3.11Å; R146-R150 WeakPolarHBondContact O-CG 3.39Å; R146-R150 PolarHBondContact O-N 3.24Å; R146-R150 VanDerWaalsContact O-N 3.14Å
147L88.8Confident78.1Confident18 Ų1869.9 Ų69.99%0.09438%0.377CS..Hα-helixtrans-65-48.1175.3176.373.2000112V16 C31 E46 T145 E149 R150 L151V16-L147 HydrophobicContact CG2-CD1 4.07Å; C31-L147 HydrophobicContact CB-CD2 3.44Å; C31-L147 VanDerWaalsContact CB-CD2 3.44Å; E46-L147 HydrophobicContact CG-CD2 4.22Å; T145-L147 PolarHBondContact O-N 3.47Å; T145-L147 VanDerWaalsContact O-N 3.08Å; L147-E149 VanDerWaalsContact C-N 3.33Å; L147-E149 PolarHBondContact O-N 2.64Å; L147-R150 PolarHBondContact O-N 3.38Å; L147-L151 HydrophobicContact CD1-CD1 4.08Å; L147-L151 HydrophobicContact CD1-CG 4.33Å; L147-L151 HydrophobicContact CD2-CD1 4.38Å; L147-L151 HydrophobicContact CG-CD1 3.88Å; L147-L151 HydrophobicContact CG-CG 4.45Å; L147-L151 WeakPolarHBondContact O-CB 2.86Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 3.19Å
148Q92.8Very high81.1Confident0 Ų066.3 Ų66.30%036%0.358CS..Hα-helixtrans-60.7-44.2179.7-71.3170.6-22.800110.9V48 L144 T145 R150 L151 I152 P161 F162V48-Q148 HydrophobicContact CG2-CB 4.27Å; V48-Q148 HydrophobicContact CG2-CG 4.17Å; L144-Q148 HydrophobicContact CB-CB 4.45Å; T145-Q148 WeakPolarHBondContact O-CA 3.42Å; T145-Q148 WeakPolarHBondContact O-CB 3.4Å; T145-Q148 PolarHBondContact O-N 3.46Å; T145-Q148 WeakPolarHBondContact OG1-CG 3.49Å; T145-Q148 PolarHBondContact OG1-N 2.66Å; Q148-R150 PolarHBondContact O-N 2.88Å; Q148-L151 PolarHBondContact O-N 2.88Å; Q148-I152 WeakPolarHBondContact O-CB 3.41Å; Q148-I152 WeakPolarHBondContact O-CD1 3.49Å; Q148-I152 WeakPolarHBondContact O-CG1 3.32Å; Q148-I152 PolarHBondContact O-N 2.88Å; Q148-P161 HydrophobicContact CB-CB 4.42Å; Q148-P161 HydrophobicContact CG-CB 4.25Å; Q148-F162 PolarHBondContact NE2-O 2.88Å
149E92.1Very high83.9Confident106 Ų10659.4 Ų59.450%0.49533%0.327SS..Hα-helixtrans-57.3-49.9175.9-67.4176.9161.300111.6L144 T145 L147 L151 I152 K153L144-E149 HydrophobicContact CB-CG 3.73Å; L144-E149 HydrophobicContact CD1-CG 4.22Å; T145-E149 PolarHBondContact O-N 3.3Å; L147-E149 VanDerWaalsContact C-N 3.33Å; L147-E149 PolarHBondContact O-N 2.64Å; E149-L151 PolarHBondContact O-N 3.17Å; E149-I152 PolarHBondContact O-N 3.25Å; E149-K153 WeakPolarHBondContact O-CB 3.19Å; E149-K153 PolarHBondContact O-N 2.8Å
150R93.6Very high86.8Confident22 Ų2254.9 Ų54.98%0.08329%0.292CS..Hα-helixtrans-62.4-41.7178.4-68.517677.1-147.6-5112.1T14 R146 L147 Q148 K154 D484 D485 D487 L488T14-R150 PolarHBondContact OG1-NH1 3.16Å; R146-R150 WeakPolarHBondContact O-CB 3.11Å; R146-R150 WeakPolarHBondContact O-CG 3.39Å; R146-R150 PolarHBondContact O-N 3.24Å; R146-R150 VanDerWaalsContact O-N 3.14Å; L147-R150 PolarHBondContact O-N 3.38Å; Q148-R150 PolarHBondContact O-N 2.88Å; R150-K154 VanDerWaalsContact O-CB 3.32Å; R150-K154 WeakPolarHBondContact O-CB 3.25Å; R150-K154 PolarHBondContact O-N 2.84Å; R150-D484 PolarHBondContact NH2-O 3.3Å; R150-D485 IonicContact NE-OD1 2.74Å; R150-D487 IonicContact CZ-OD1 2.75Å; R150-D487 IonicContact NH1-OD1 3.72Å; R150-D487 PolarHBondContact NH1-OD1 3.38Å; R150-D487 IonicContact NH2-OD1 3.25Å; R150-D487 PolarHBondContact NH2-OD1 3.17Å; R150-L488 HydrophobicContact CB-CD1 4.25Å
151L93.5Very high89.2Confident0 Ų053.8 Ų53.80%028%0.278CS..Hα-helixtrans-66-44.1176.8-78.3172.2000112.1V16 V48 L147 Q148 E149 K154 L155 L488 F490V16-L151 HydrophobicContact CG1-CD1 4.25Å; V16-L151 HydrophobicContact CG1-CD2 4.02Å; V16-L151 HydrophobicContact CG2-CD2 4.25Å; V48-L151 HydrophobicContact CB-CB 4.29Å; V48-L151 HydrophobicContact CB-CD1 4.28Å; V48-L151 HydrophobicContact CG2-CB 3.79Å; V48-L151 HydrophobicContact CG2-CD1 3.94Å; L147-L151 HydrophobicContact CD1-CD1 4.08Å; L147-L151 HydrophobicContact CD1-CG 4.33Å; L147-L151 HydrophobicContact CD2-CD1 4.38Å; L147-L151 HydrophobicContact CG-CD1 3.88Å; L147-L151 HydrophobicContact CG-CG 4.45Å; L147-L151 WeakPolarHBondContact O-CB 2.86Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 3.19Å; Q148-L151 PolarHBondContact O-N 2.88Å; E149-L151 PolarHBondContact O-N 3.17Å; L151-K154 PolarHBondContact O-N 2.99Å; L151-L155 HydrophobicContact CB-CD1 4.41Å; L151-L155 HydrophobicContact CD2-CD1 4.39Å; L151-L155 WeakPolarHBondContact O-CB 3.14Å; L151-L155 WeakPolarHBondContact O-CG 3.06Å; L151-L155 PolarHBondContact O-N 2.79Å; L151-L488 HydrophobicContact CD2-CD1 3.93Å; L151-L488 HydrophobicContact CG-CD1 4.37Å; L151-F490 HydrophobicContact CD2-CE1 3.75Å; L151-F490 HydrophobicContact CD2-CZ 4.22Å
152I93.6Very high91Very high41 Ų4152.3 Ų52.321%0.2127%0.267CS..Hα-helixtrans-63.6-44.9177.9-68.2164000109.9V48 L144 Q148 E149 K154 L155 G156 A159 P161V48-I152 HydrophobicContact CG1-CG1 4.29Å; V48-I152 HydrophobicContact CG2-CG1 4.29Å; L144-I152 HydrophobicContact CD1-CD1 4.06Å; Q148-I152 WeakPolarHBondContact O-CB 3.41Å; Q148-I152 WeakPolarHBondContact O-CD1 3.49Å; Q148-I152 WeakPolarHBondContact O-CG1 3.32Å; Q148-I152 PolarHBondContact O-N 2.88Å; E149-I152 PolarHBondContact O-N 3.25Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 3.14Å; I152-L155 PolarHBondContact O-N 3.13Å; I152-G156 PolarHBondContact O-N 3.02Å; I152-A159 HydrophobicContact CG1-CB 4.3Å; I152-P161 HydrophobicContact CD1-CB 4.2Å; I152-P161 HydrophobicContact CD1-CG 4.07Å
153K93.8Very high92.1Very high139 Ų13951.5 Ų51.560%0.60426%0.261SS*.Hα-helixtrans-58.3-42.1174.8-173179.2176.6-175.20111.9E149 D485E149-K153 WeakPolarHBondContact O-CB 3.19Å; E149-K153 PolarHBondContact O-N 2.8Å; K153-D485 WeakPolarHBondContact CE-OD2 3.32Å; K153-D485 IonicContact NZ-OD2 2.73Å; K153-D485 PolarHBondContact NZ-OD2 2.84Å
154K94.6Very high92.7Very high83 Ų8346.9 Ų46.936%0.36123%0.231SC..Hα-helixtrans-76.2-34-179.2-170.5165.3-169.3162.60114R150 L151 I152 L488 F490R150-K154 VanDerWaalsContact O-CB 3.32Å; R150-K154 WeakPolarHBondContact O-CB 3.25Å; R150-K154 PolarHBondContact O-N 2.84Å; L151-K154 PolarHBondContact O-N 2.99Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 3.14Å; K154-L488 HydrophobicContact CB-CD1 4.37Å; K154-L488 HydrophobicContact CD-CB 3.93Å; K154-L488 HydrophobicContact CD-CD1 3.72Å; K154-L488 HydrophobicContact CD-CG 4.26Å; K154-L488 PolarHBondContact NZ-O 2.56Å; K154-F490 HydrophobicContact CD-CE2 3.99Å; K154-F490 HydrophobicContact CD-CZ 3.93Å; K154-F490 HydrophobicContact CG-CZ 4.41Å
155L94.7Very high92.9Very high36 Ų3649.5 Ų49.519%0.18824%0.24CC..Hα-helixtrans-93.7-18.6-174.5-64.1174.2000113.5Y29 V48 L50 L151 I152 A159 F490Y29-L155 HydrophobicContact CD1-CD1 4.28Å; Y29-L155 HydrophobicContact CD2-CD1 3.73Å; Y29-L155 HydrophobicContact CE1-CD1 4.17Å; Y29-L155 HydrophobicContact CE1-CD2 3.99Å; Y29-L155 HydrophobicContact CE2-CD1 3.61Å; Y29-L155 HydrophobicContact CE2-CD2 4.22Å; Y29-L155 HydrophobicContact CG-CD1 4.08Å; V48-L155 HydrophobicContact CG1-CD1 4.18Å; L50-L155 HydrophobicContact CD1-CB 4.5Å; L151-L155 HydrophobicContact CB-CD1 4.41Å; L151-L155 HydrophobicContact CD2-CD1 4.39Å; L151-L155 WeakPolarHBondContact O-CB 3.14Å; L151-L155 WeakPolarHBondContact O-CG 3.06Å; L151-L155 PolarHBondContact O-N 2.79Å; I152-L155 PolarHBondContact O-N 3.13Å; L155-A159 HydrophobicContact CB-CB 3.69Å; L155-A159 HydrophobicContact CD1-CB 4.27Å; L155-F490 HydrophobicContact CD2-CZ 4.17Å
156G93.7Very high93Very high27 Ų2748.1 Ų48.128%0.27823%0.231SC..  trans89.5-174.9178.700000114.4I152 N158 A159I152-G156 PolarHBondContact O-N 3.02Å; G156-N158 PolarHBondContact O-N 2.94Å; G156-A159 VanDerWaalsContact O-CB 3.22Å; G156-A159 WeakPolarHBondContact O-CB 3.4Å; G156-A159 PolarHBondContact O-N 2.85Å; G156-A159 VanDerWaalsContact O-N 3.09Å
157N93.2Very high92.9Very high156 Ų15645.1 Ų45.183%0.83423%0.226SC*.THydrogen-bonded Turntrans-64.7-12.6-166-60.41.8000115.6A159N157-A159 VanDerWaalsContact C-N 3.31Å
158N95.2Very high92.7Very high70 Ų7047.3 Ų47.337%0.37425%0.246SC..THydrogen-bonded Turntrans-94.312.8178.9-64.1-32.5000112.9L50 V51 G156 F160L50-N158 HydrophobicContact CD1-CB 4.14Å; V51-N158 PolarHBondContact N-O 2.77Å; V51-N158 WeakPolarHBondContact O-CB 3.41Å; G156-N158 PolarHBondContact O-N 2.94Å; N158-F160 VanDerWaalsContact C-CE2 3.49Å; N158-F160 VanDerWaalsContact O-CD2 3.31Å; N158-F160 WeakPolarHBondContact O-CD2 3.45Å; N158-F160 WeakPolarHBondContact O-CE2 3.29Å
159A95.8Very high92.4Very high5 Ų550.9 Ų50.94%0.04127%0.265CS..EExtended strand (participates in β ladder)trans-99.6117.8179.300000109.8V48 V49 I152 L155 G156 N157V48-A159 HydrophobicContact CG1-CB 3.67Å; V49-A159 WeakPolarHBondContact O-CA 3.28Å; I152-A159 HydrophobicContact CG1-CB 4.3Å; L155-A159 HydrophobicContact CB-CB 3.69Å; L155-A159 HydrophobicContact CD1-CB 4.27Å; G156-A159 VanDerWaalsContact O-CB 3.22Å; G156-A159 WeakPolarHBondContact O-CB 3.4Å; G156-A159 PolarHBondContact O-N 2.85Å; G156-A159 VanDerWaalsContact O-N 3.09Å; N157-A159 VanDerWaalsContact C-N 3.31Å
160F94.3Very high92.3Very high30 Ų3046.2 Ų46.213%0.13225%0.245CC..EExtended strand (participates in β ladder)trans-118.2127.4-172.4-61.4-77.8000111.1V48 V49 V51 V94 Y95 P97 N158V48-F160 CarbonylContact C-O 3.57Å; V48-F160 WeakPolarHBondContact CA-O 3.44Å; V49-F160 PolarHBondContact N-O 2.82Å; V49-F160 PolarHBondContact O-N 2.76Å; V51-F160 HydrophobicContact CB-CD2 4.14Å; V51-F160 HydrophobicContact CB-CE2 4.12Å; V51-F160 HydrophobicContact CG2-CD2 3.8Å; V51-F160 HydrophobicContact CG2-CE2 4.27Å; V94-F160 HydrophobicContact CG1-CB 3.47Å; V94-F160 VanDerWaalsContact CG1-CB 3.47Å; Y95-F160 HydrophobicContact CD2-CD2 4.06Å; Y95-F160 HydrophobicContact CD2-CE1 4.06Å; Y95-F160 AromaticContact CD2-CE2 3.5Å; Y95-F160 HydrophobicContact CD2-CE2 3.5Å; Y95-F160 AromaticContact CD2-CZ 3.51Å; Y95-F160 HydrophobicContact CD2-CZ 3.51Å; Y95-F160 HydrophobicContact CE2-CE2 4.04Å; Y95-F160 AromaticContact CE2-CZ 3.8Å; Y95-F160 HydrophobicContact CE2-CZ 3.8Å; Y95-F160 HydrophobicContact CG-CE2 4.43Å; P97-F160 HydrophobicContact CG-CD1 3.47Å; P97-F160 VanDerWaalsContact CG-CD1 3.47Å; P97-F160 HydrophobicContact CG-CE1 3.63Å; N158-F160 VanDerWaalsContact C-CE2 3.49Å; N158-F160 VanDerWaalsContact O-CD2 3.31Å; N158-F160 WeakPolarHBondContact O-CD2 3.45Å; N158-F160 WeakPolarHBondContact O-CE2 3.29Å
161P93.9Very high92.3Very high13 Ų1345.6 Ų45.68%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-77.6157.2-175.531.1-34.6000112.8G47 L111 L144 Q148 I152G47-P161 WeakPolarHBondContact O-CA 3.5Å; L111-P161 HydrophobicContact CD2-CB 3.68Å; L111-P161 HydrophobicContact CD2-CG 3.63Å; L144-P161 HydrophobicContact CD2-CB 3.87Å; L144-P161 HydrophobicContact CD2-CG 3.57Å; Q148-P161 HydrophobicContact CB-CB 4.42Å; Q148-P161 HydrophobicContact CG-CB 4.25Å; I152-P161 HydrophobicContact CD1-CB 4.2Å; I152-P161 HydrophobicContact CD1-CG 4.07Å
162F92.8Very high92.4Very high2 Ų247 Ų471%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-143.2156.1165.864.9-92.7000110.6T28 L30 I45 G47 V49 T63 V94 Q148 F164 L193T28-F162 HydrophobicContact CG2-CE1 3.9Å; T28-F162 HydrophobicContact CG2-CZ 3.95Å; L30-F162 HydrophobicContact CD2-CE2 3.95Å; L30-F162 HydrophobicContact CD2-CZ 3.66Å; I45-F162 HydrophobicContact CG2-CE2 4.34Å; G47-F162 VanDerWaalsContact CA-CZ 3.47Å; G47-F162 PolarHBondContact N-O 2.71Å; G47-F162 VanDerWaalsContact N-O 3.12Å; G47-F162 WeakPolarHBondContact O-CD1 3.26Å; G47-F162 PolarHBondContact O-N 2.99Å; V49-F162 HydrophobicContact CG2-CD1 3.77Å; V49-F162 HydrophobicContact CG2-CE1 3.79Å; T63-F162 HydrophobicContact CG2-CD2 4.18Å; T63-F162 HydrophobicContact CG2-CE2 4.32Å; T63-F162 HydrophobicContact CG2-CG 4.27Å; V94-F162 HydrophobicContact CG2-CB 4.05Å; Q148-F162 PolarHBondContact NE2-O 2.88Å; F162-F164 HydrophobicContact CB-CE2 4.16Å; F162-F164 AromaticContact CD2-CD2 3.74Å; F162-F164 HydrophobicContact CD2-CD2 3.74Å; F162-F164 AromaticContact CD2-CE2 3.49Å; F162-F164 HydrophobicContact CD2-CE2 3.49Å; F162-F164 VanDerWaalsContact CD2-CE2 3.49Å; F162-F164 HydrophobicContact CE2-CD2 4.35Å; F162-F164 HydrophobicContact CE2-CE2 4.26Å; F162-F164 HydrophobicContact CG-CE2 4.14Å; F162-L193 HydrophobicContact CE2-CD1 4.23Å; F162-L193 HydrophobicContact CE2-CD2 3.96Å; F162-L193 HydrophobicContact CZ-CD2 3.8Å
163Y92Very high92.5Very high44 Ų4445.5 Ų45.517%0.17325%0.249CC..EExtended strand (participates in β ladder)trans-145.7133180-174.2-85.6000110.1P44 I45 E46 P113 L142 T145 K165P44-Y163 HydrophobicContact CB-CD2 4.28Å; P44-Y163 HydrophobicContact CB-CE1 4.07Å; P44-Y163 HydrophobicContact CB-CE2 3.42Å; P44-Y163 VanDerWaalsContact CB-CE2 3.42Å; P44-Y163 VanDerWaalsContact CB-OH 3.23Å; P44-Y163 WeakPolarHBondContact CB-OH 3.42Å; P44-Y163 HydrophobicContact CG-CE2 3.88Å; I45-Y163 CarbonylContact O-C 3.57Å; I45-Y163 WeakPolarHBondContact O-CA 3.3Å; E46-Y163 HydrophobicContact CB-CD2 4.15Å; P113-Y163 WeakPolarHBondContact CD-O 3.29Å; L142-Y163 HydrophobicContact CD1-CD1 3.72Å; L142-Y163 HydrophobicContact CD1-CE1 3.9Å; L142-Y163 HydrophobicContact CD1-CG 4.33Å; T145-Y163 HydrophobicContact CG2-CE2 4.44Å; Y163-K165 HydrophobicContact CE1-CB 4.33Å
164F92.4Very high92.6Very high0 Ų039.4 Ų39.40%022%0.223CC..EExtended strand (participates in β ladder)trans-132.1140.1172.1-58.2-97.3000110.4I45 T63 V65 A90 A92 P113 F162 L193I45-F164 HydrophobicContact CB-CB 4.17Å; I45-F164 HydrophobicContact CD1-CB 4.47Å; I45-F164 PolarHBondContact N-O 2.86Å; I45-F164 PolarHBondContact O-N 3.43Å; T63-F164 HydrophobicContact CG2-CE2 3.62Å; T63-F164 HydrophobicContact CG2-CZ 3.93Å; T63-F164 VanDerWaalsContact O-CZ 3.25Å; T63-F164 WeakPolarHBondContact O-CZ 3.2Å; V65-F164 HydrophobicContact CB-CD1 4.28Å; V65-F164 HydrophobicContact CB-CG 4.38Å; V65-F164 HydrophobicContact CG2-CB 3.85Å; V65-F164 HydrophobicContact CG2-CD1 3.75Å; V65-F164 HydrophobicContact CG2-CD2 3.58Å; V65-F164 HydrophobicContact CG2-CE1 4.2Å; V65-F164 HydrophobicContact CG2-CE2 4.06Å; V65-F164 HydrophobicContact CG2-CG 3.44Å; V65-F164 VanDerWaalsContact CG2-CG 3.44Å; V65-F164 HydrophobicContact CG2-CZ 4.37Å; A90-F164 HydrophobicContact CB-CD1 3.65Å; A90-F164 HydrophobicContact CB-CE1 3.97Å; A92-F164 HydrophobicContact CB-CE1 4.12Å; A92-F164 HydrophobicContact CB-CZ 3.66Å; P113-F164 HydrophobicContact CB-CD1 3.63Å; P113-F164 HydrophobicContact CB-CE1 3.37Å; P113-F164 HydrophobicContact CB-CZ 4.31Å; P113-F164 HydrophobicContact CG-CD1 3.51Å; P113-F164 HydrophobicContact CG-CE1 3.82Å; P113-F164 HydrophobicContact CG-CG 4.34Å; F162-F164 HydrophobicContact CB-CE2 4.16Å; F162-F164 AromaticContact CD2-CD2 3.74Å; F162-F164 HydrophobicContact CD2-CD2 3.74Å; F162-F164 AromaticContact CD2-CE2 3.49Å; F162-F164 HydrophobicContact CD2-CE2 3.49Å; F162-F164 VanDerWaalsContact CD2-CE2 3.49Å; F162-F164 HydrophobicContact CE2-CD2 4.35Å; F162-F164 HydrophobicContact CE2-CE2 4.26Å; F162-F164 HydrophobicContact CG-CE2 4.14Å; F164-L193 HydrophobicContact CD2-CD1 4.47Å; F164-L193 HydrophobicContact CE2-CD1 4.29Å
165K90.8Very high92.6Very high107 Ų10736.4 Ų36.447%0.46521%0.212SC..  trans-113.3119.3170.5-170.2168.1-176.6164.90108.9D41 Y88 Y163D41-K165 WeakPolarHBondContact OD1-CE 3.24Å; D41-K165 IonicContact OD1-NZ 3.89Å; D41-K165 PolarHBondContact OD1-NZ 3.4Å; D41-K165 IonicContact OD2-NZ 3.81Å; Y88-K165 PolarHBondContact OH-O 2.99Å; Y163-K165 HydrophobicContact CE1-CB 4.33Å
166L91.9Very high92.5Very high5 Ų535 Ų353%0.02621%0.205CC..  trans-72.6141174.3-67.1179.9000109.4V42 I45 V65 Y88 Y191 K217V42-L166 HydrophobicContact CB-CB 4.39Å; V42-L166 HydrophobicContact CG1-CB 4.02Å; V42-L166 HydrophobicContact CG1-CD1 4.28Å; I45-L166 HydrophobicContact CD1-CD1 4.17Å; I45-L166 HydrophobicContact CD1-CD2 4.12Å; I45-L166 HydrophobicContact CD1-CG 3.95Å; V65-L166 HydrophobicContact CG1-CD2 3.88Å; Y88-L166 HydrophobicContact CD1-CD2 3.95Å; Y88-L166 HydrophobicContact CE1-CD2 3.56Å; L166-Y191 HydrophobicContact CD1-CD1 4.17Å; L166-Y191 HydrophobicContact CD1-CE1 3.75Å; L166-Y191 HydrophobicContact CD2-CD1 4.37Å; L166-Y191 HydrophobicContact CD2-CE1 3.9Å; L166-Y191 HydrophobicContact CG-CE1 4.49Å; L166-K217 HydrophobicContact CD1-CB 4.27Å; L166-K217 HydrophobicContact CD1-CD 4.24Å; L166-K217 HydrophobicContact CD1-CG 4.22Å
167P88.5Confident92.3Very high44 Ų4434.5 Ų34.529%0.28620%0.195SC..  trans-69.4153.9174.729.4-32.2000110.5Y88 D169 A170Y88-P167 HydrophobicContact CD2-CG 3.9Å; Y88-P167 VanDerWaalsContact CE2-CD 3.43Å; Y88-P167 HydrophobicContact CE2-CG 3.81Å; P167-D169 WeakPolarHBondContact CB-OD1 3.5Å; P167-D169 PolarHBondContact O-N 3.28Å; P167-A170 HydrophobicContact CG-CB 4.04Å; P167-A170 WeakPolarHBondContact O-CB 3.13Å; P167-A170 PolarHBondContact O-N 2.84Å; P167-A170 VanDerWaalsContact O-N 3.11Å
168A83.9Confident91.8Very high64 Ų6429.6 Ų29.653%0.52917%0.172SC..THydrogen-bonded Turntrans-62.6-32-176.200000112.6A170A168-A170 VanDerWaalsContact C-N 3.28Å; A168-A170 PolarHBondContact O-N 3.12Å
169D85.9Confident90.9Very high74 Ų7426.6 Ų26.640%0.39616%0.157SC..THydrogen-bonded Turntrans-82.7-0.8179.170.4-24.4000114P167 H361P167-D169 WeakPolarHBondContact CB-OD1 3.5Å; P167-D169 PolarHBondContact O-N 3.28Å; D169-H361 IonicContact OD2-CE1 2.93Å; D169-H361 IonicContact OD2-ND1 2.73Å; D169-H361 PolarHBondContact OD2-ND1 2.93Å
170A90.2Very high89.8Confident8 Ų832.4 Ų32.47%0.06619%0.194CC..SBendtrans-61.5134.3174.700000110.1P167 A168 Y191 K217P167-A170 HydrophobicContact CG-CB 4.04Å; P167-A170 WeakPolarHBondContact O-CB 3.13Å; P167-A170 PolarHBondContact O-N 2.84Å; P167-A170 VanDerWaalsContact O-N 3.11Å; A168-A170 VanDerWaalsContact C-N 3.28Å; A168-A170 PolarHBondContact O-N 3.12Å; A170-Y191 WeakPolarHBondContact CB-OH 3.4Å; A170-K217 HydrophobicContact CB-CD 4.26Å; A170-K217 WeakPolarHBondContact O-CE 3.19Å; A170-K217 PolarHBondContact O-NZ 2.96Å
171P93.5Very high88.7Confident10 Ų1037.6 Ų37.67%0.06522%0.223CC..PPolyproline II helixtrans-65.6152.4-178.721.7-30.9000113.5L87 V189 Y191 K217 L365L87-P171 HydrophobicContact CD1-CG 3.59Å; P171-V189 HydrophobicContact CB-CG1 4.14Å; P171-V189 HydrophobicContact CB-CG2 4.42Å; P171-V189 HydrophobicContact CG-CG1 3.79Å; P171-V189 HydrophobicContact CG-CG2 4.48Å; P171-Y191 VanDerWaalsContact O-CE2 3.24Å; P171-Y191 WeakPolarHBondContact O-CE2 3.39Å; P171-Y191 PolarHBondContact O-OH 2.73Å; P171-K217 WeakPolarHBondContact O-CD 3.36Å; P171-L365 HydrophobicContact CB-CD2 4.44Å; P171-L365 VanDerWaalsContact CB-O 3.29Å; P171-L365 WeakPolarHBondContact CB-O 3.46Å
172A95.3Very high87.4Confident30 Ų3040.7 Ų40.725%0.24824%0.237CC..PPolyproline II helixtrans-6615316900000110.9V174A172-V174 PolarHBondContact O-N 3.03Å
173S96.5Very high86Confident9 Ų943.9 Ų43.96%0.06326%0.259CS..PPolyproline II helixtrans-66.9123170.3-64.30000109.8Y191 R216 K217S173-Y191 WeakPolarHBondContact OG-CD2 3.27Å; S173-R216 VanDerWaalsContact OG-CA 3.31Å; S173-R216 WeakPolarHBondContact OG-CA 3.18Å; S173-K217 PolarHBondContact N-O 3.4Å; S173-K217 PolarHBondContact OG-N 3.03Å
174V96.1Very high84.8Confident11 Ų1143.9 Ų43.97%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-152.2137.5-174.364.70000110.9A172 G188 V189 A338 L339 A351 M367 V369A172-V174 PolarHBondContact O-N 3.03Å; V174-G188 CarbonylContact O-C 3.56Å; V174-G188 WeakPolarHBondContact O-CA 3.26Å; V174-V189 HydrophobicContact CG1-CB 4.12Å; V174-V189 HydrophobicContact CG1-CG2 4.17Å; V174-V189 PolarHBondContact N-O 2.94Å; V174-V189 VanDerWaalsContact N-O 3.16Å; V174-V189 PolarHBondContact O-N 2.9Å; V174-A338 HydrophobicContact CG2-CB 4.08Å; V174-L339 CarbonylContact C-O 3.57Å; V174-L339 VanDerWaalsContact CA-O 3.27Å; V174-L339 WeakPolarHBondContact CA-O 3.2Å; V174-L339 WeakPolarHBondContact CG2-O 3.42Å; V174-A351 HydrophobicContact CG2-CB 3.57Å; V174-M367 HydrophobicContact CB-CE 3.75Å; V174-M367 HydrophobicContact CG1-CB 4.16Å; V174-M367 HydrophobicContact CG1-CE 3.31Å; V174-M367 HydrophobicContact CG2-CE 3.26Å; V174-V369 HydrophobicContact CG2-CG2 4.12Å
175T94.3Very high83.7Confident20 Ų2048 Ų4812%0.12329%0.29CS..EExtended strand (participates in β ladder)trans-136.3129.6-175.2-62.20000109.9P186 C187 A338 L339 G341T175-P186 HydrophobicContact CG2-CB 3.42Å; T175-P186 VanDerWaalsContact CG2-CB 3.42Å; T175-P186 HydrophobicContact CG2-CG 3.48Å; T175-P186 VanDerWaalsContact CG2-CG 3.48Å; T175-C187 CarbonylContact C-O 3.36Å; T175-C187 WeakPolarHBondContact CA-O 3.45Å; T175-A338 CarbonylContact O-C 3.54Å; T175-A338 WeakPolarHBondContact O-CA 3.5Å; T175-L339 PolarHBondContact N-O 2.74Å; T175-L339 PolarHBondContact O-N 3.1Å; T175-G341 WeakPolarHBondContact CB-O 3.45Å
176L92.7Very high83Confident7 Ų745 Ų454%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-78.7131.3169.9-80.1171.7000110.3P178 C187 T286 L288 Y296 G336 A338 M367L176-P178 WeakPolarHBondContact O-CD 3.48Å; L176-C187 HydrophobicContact CB-CB 4.29Å; L176-C187 HydrophobicContact CD1-CB 4.35Å; L176-C187 PolarHBondContact N-O 3.12Å; L176-T286 HydrophobicContact CD2-CG2 3.88Å; L176-L288 HydrophobicContact CD1-CD1 4.39Å; L176-L288 HydrophobicContact CD1-CD2 3.77Å; L176-L288 HydrophobicContact CD1-CG 4.32Å; L176-Y296 HydrophobicContact CD1-CD2 3.97Å; L176-Y296 HydrophobicContact CD1-CE2 3.59Å; L176-Y296 HydrophobicContact CD2-CD2 4.18Å; L176-Y296 HydrophobicContact CD2-CG 4.47Å; L176-G336 VanDerWaalsContact CD2-O 3.24Å; L176-G336 WeakPolarHBondContact CD2-O 3.36Å; L176-A338 HydrophobicContact CD2-CB 4.24Å; L176-M367 HydrophobicContact CD1-SD 3.78Å; L176-M367 HydrophobicContact CD2-SD 4.1Å; L176-M367 HydrophobicContact CG-CE 4.12Å; L176-M367 HydrophobicContact CG-SD 3.58Å; L176-M367 VanDerWaalsContact CG-SD 3.58Å
177Q89.3Confident82.9Confident16 Ų1645.6 Ų45.68%0.07529%0.286CS..PPolyproline II helixtrans-66.3119.6173.7-179163.2-13.700110.3R332 K334 G336 L337 L343Q177-R332 PolarHBondContact NE2-O 3.17Å; Q177-K334 VanDerWaalsContact CG-O 3.25Å; Q177-K334 WeakPolarHBondContact CG-O 3.32Å; Q177-K334 PolarHBondContact NE2-O 2.91Å; Q177-K334 VanDerWaalsContact NE2-O 3.1Å; Q177-K334 PolarHBondContact OE1-O 3.29Å; Q177-K334 VanDerWaalsContact OE1-O 3.1Å; Q177-G336 PolarHBondContact O-N 3.26Å; Q177-L337 HydrophobicContact CB-CB 4.37Å; Q177-L337 WeakPolarHBondContact CB-O 3.28Å; Q177-L337 PolarHBondContact N-O 2.87Å; Q177-L343 HydrophobicContact CG-CD2 4.46Å
178P82.4Confident83.1Confident53 Ų5343.7 Ų43.734%0.34427%0.274SS..PPolyproline II helixtrans-66.7156.1177.828.2-33.7000110.8L176 E182L176-P178 WeakPolarHBondContact O-CD 3.48Å; P178-E182 WeakPolarHBondContact CA-OE2 3.16Å; P178-E182 HydrophobicContact CB-CB 3.92Å
179G76.8Confident83.6Confident6 Ų640.7 Ų40.76%0.06225%0.249CC..PPolyproline II helixtrans-67.7162.216900000112.5N181 E182G179-N181 PolarHBondContact O-N 2.88Å; G179-N181 VanDerWaalsContact O-N 3.14Å; G179-E182 PolarHBondContact N-OE2 2.98Å; G179-E182 PolarHBondContact O-N 3.36Å
180P73Confident83.9Confident127 Ų12739.6 Ų39.683%0.82524%0.244SC*.THydrogen-bonded Turntrans-58.2-29.3177.923.3-33.2000112.9
181N70.1Confident84.2Confident140 Ų14039.4 Ų39.475%0.74924%0.241SC*.THydrogen-bonded Turntrans-97.86.4179.5-60.9-16.8000113.4R73 G179R73-N181 PolarHBondContact NH2-O 2.49Å; G179-N181 PolarHBondContact O-N 2.88Å; G179-N181 VanDerWaalsContact O-N 3.14Å
182E67.7Low84.3Confident78 Ų7840.4 Ų40.436%0.36425%0.245SC..  trans-99.892177.6-69.8178.9164.600109.8P178 G179 R335P178-E182 WeakPolarHBondContact CA-OE2 3.16Å; P178-E182 HydrophobicContact CB-CB 3.92Å; G179-E182 PolarHBondContact N-OE2 2.98Å; G179-E182 PolarHBondContact O-N 3.36Å; E182-R335 IonicContact OE1-CZ 2.64Å; E182-R335 IonicContact OE1-NE 3.58Å; E182-R335 IonicContact OE1-NH2 3.38Å; E182-R335 PolarHBondContact OE1-NH2 3.01Å; E182-R335 IonicContact OE2-NE 2.66Å
183S63.2Low84.4Confident68 Ų6839 Ų3948%0.47623%0.233SC..  trans-74.4144.7165.158.40000110.4R73R73-S183 VanDerWaalsContact CB-O 3.31Å; R73-S183 WeakPolarHBondContact CB-O 3.29Å; R73-S183 WeakPolarHBondContact CD-O 3.41Å; R73-S183 WeakPolarHBondContact CG-O 3.27Å; R73-S183 PolarHBondContact NE-O 2.98Å; R73-S183 PolarHBondContact NE-OG 2.93Å; R73-S183 PolarHBondContact NH2-OG 3.04Å
184G65.4Low84.4Confident44 Ų4440.5 Ų40.545%0.45424%0.238SC..SBendtrans129.8-177.7174.300000113.2
185K69.2Low84.4Confident87 Ų8740 Ų4038%0.37823%0.234SC..SBendtrans-66.9135.4171.7-85.6-178.3-177.3155.40109.5E74E74-K185 VanDerWaalsContact CD-CG 3.45Å; E74-K185 HydrophobicContact CG-CB 3.92Å; E74-K185 HydrophobicContact CG-CD 3.89Å; E74-K185 HydrophobicContact CG-CG 3.74Å; E74-K185 WeakPolarHBondContact OE1-CD 3.11Å; E74-K185 WeakPolarHBondContact OE1-CE 3.31Å; E74-K185 IonicContact OE1-NZ 3.69Å; E74-K185 PolarHBondContact OE1-NZ 3.44Å
186P77.9Confident84.5Confident43 Ų4339.4 Ų39.428%0.27923%0.23SC..PPolyproline II helixtrans-67.8148179.832.6-37.1000110T175T175-P186 HydrophobicContact CG2-CB 3.42Å; T175-P186 VanDerWaalsContact CG2-CB 3.42Å; T175-P186 HydrophobicContact CG2-CG 3.48Å; T175-P186 VanDerWaalsContact CG2-CG 3.48Å
187C88Confident84.6Confident18 Ų1839.3 Ų39.312%0.12223%0.23CC..SBendtrans-67.7136.2175.4170.90000110R70 Y71 T175 L176R70-C187 CarbonylContact O-C 3.53Å; R70-C187 VanDerWaalsContact O-CA 3.26Å; R70-C187 WeakPolarHBondContact O-CA 2.85Å; Y71-C187 HydrophobicContact CD2-CB 4.21Å; Y71-C187 VanDerWaalsContact CD2-SG 3.53Å; T175-C187 CarbonylContact C-O 3.36Å; T175-C187 WeakPolarHBondContact CA-O 3.45Å; L176-C187 HydrophobicContact CB-CB 4.29Å; L176-C187 HydrophobicContact CD1-CB 4.35Å; L176-C187 PolarHBondContact N-O 3.12Å
188G93Very high84.9Confident4 Ų439 Ų394%0.04123%0.23CC..EExtended strand (participates in β ladder)trans162-173.7178.600000114.9F69 R70 V174F69-G188 CarbonylContact C-O 3.49Å; F69-G188 WeakPolarHBondContact CA-O 3.17Å; R70-G188 PolarHBondContact N-O 3.08Å; R70-G188 PolarHBondContact O-N 3.37Å; V174-G188 CarbonylContact O-C 3.56Å; V174-G188 WeakPolarHBondContact O-CA 3.26Å
189V94.3Very high85.3Confident1 Ų143 Ų431%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-103.8116.3172178.10000108.4A68 F69 L87 P171 V174 Y191A68-V189 WeakPolarHBondContact O-CA 3.36Å; F69-V189 HydrophobicContact CD2-CG2 4.01Å; L87-V189 HydrophobicContact CD1-CG1 4.08Å; L87-V189 HydrophobicContact CD1-CG2 4.08Å; P171-V189 HydrophobicContact CB-CG1 4.14Å; P171-V189 HydrophobicContact CB-CG2 4.42Å; P171-V189 HydrophobicContact CG-CG1 3.79Å; P171-V189 HydrophobicContact CG-CG2 4.48Å; V174-V189 HydrophobicContact CG1-CB 4.12Å; V174-V189 HydrophobicContact CG1-CG2 4.17Å; V174-V189 PolarHBondContact N-O 2.94Å; V174-V189 VanDerWaalsContact N-O 3.16Å; V174-V189 PolarHBondContact O-N 2.9Å; V189-Y191 HydrophobicContact CG1-CD2 4.46Å; V189-Y191 HydrophobicContact CG1-CE2 3.94Å
190D93.9Very high85.9Confident52 Ų5246 Ų4628%0.27826%0.261SS..EExtended strand (participates in β ladder)trans-115.6140.5177.467-43.7000112.4S67 A68 R70S67-D190 WeakPolarHBondContact CA-O 3.35Å; A68-D190 PolarHBondContact N-O 2.63Å; A68-D190 PolarHBondContact O-N 3.5Å; A68-D190 VanDerWaalsContact O-OD1 3.07Å; R70-D190 WeakPolarHBondContact CD-OD1 3.45Å; R70-D190 IonicContact CZ-OD2 2.63Å; R70-D190 IonicContact NE-OD1 2.64Å; R70-D190 PolarHBondContact NE-OD1 2.88Å; R70-D190 IonicContact NE-OD2 3.15Å; R70-D190 PolarHBondContact NE-OD2 2.98Å; R70-D190 VanDerWaalsContact NE-OD2 3.13Å; R70-D190 IonicContact NH2-OD2 2.73Å
191Y96.5Very high86.5Confident4 Ų442.1 Ų42.12%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-105.6131.1172.3-74.7-106.5000110.4L66 S67 L166 A170 P171 S173 V189 I215 K217L66-Y191 CarbonylContact O-C 3.6Å; L66-Y191 VanDerWaalsContact O-CA 3.32Å; L66-Y191 WeakPolarHBondContact O-CA 3.47Å; S67-Y191 WeakPolarHBondContact OG-CE2 3.41Å; S67-Y191 VanDerWaalsContact OG-CZ 3.31Å; S67-Y191 PolarHBondContact OG-OH 3.06Å; L166-Y191 HydrophobicContact CD1-CD1 4.17Å; L166-Y191 HydrophobicContact CD1-CE1 3.75Å; L166-Y191 HydrophobicContact CD2-CD1 4.37Å; L166-Y191 HydrophobicContact CD2-CE1 3.9Å; L166-Y191 HydrophobicContact CG-CE1 4.49Å; A170-Y191 WeakPolarHBondContact CB-OH 3.4Å; P171-Y191 VanDerWaalsContact O-CE2 3.24Å; P171-Y191 WeakPolarHBondContact O-CE2 3.39Å; P171-Y191 PolarHBondContact O-OH 2.73Å; S173-Y191 WeakPolarHBondContact OG-CD2 3.27Å; V189-Y191 HydrophobicContact CG1-CD2 4.46Å; V189-Y191 HydrophobicContact CG1-CE2 3.94Å; Y191-I215 PolarHBondContact O-N 3.48Å; Y191-I215 VanDerWaalsContact O-N 3.12Å; Y191-K217 HydrophobicContact CD2-CB 4.42Å; Y191-K217 HydrophobicContact CE2-CB 4.07Å
192E95.5Very high87Confident31 Ų3142.4 Ų42.415%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-131.2120.7179.2-165.1174.152.400110.5L66 R194 R212 L213L66-E192 PolarHBondContact N-O 2.95Å; L66-E192 PolarHBondContact O-N 3.29Å; E192-R194 HydrophobicContact CG-CG 3.95Å; E192-R194 IonicContact OE1-CZ 2.68Å; E192-R194 IonicContact OE1-NE 3.03Å; E192-R194 PolarHBondContact OE1-NE 3.04Å; E192-R194 IonicContact OE1-NH2 2.59Å; E192-R194 PolarHBondContact OE1-NH2 2.77Å; E192-R212 HydrophobicContact CG-CB 4.43Å; E192-R212 WeakPolarHBondContact OE2-CD 3.44Å; E192-L213 WeakPolarHBondContact CA-O 3.24Å
193L96.7Very high87.7Confident0 Ų041.6 Ų41.60%024%0.237CC..EExtended strand (participates in β ladder)trans-88.4121.1166.2-176.180.4000108.3T28 L30 I45 T63 H64 V65 F162 F164 L213 I215T28-L193 HydrophobicContact CG2-CD2 4.16Å; L30-L193 HydrophobicContact CD1-CD2 3.75Å; L30-L193 HydrophobicContact CD2-CD2 3.91Å; L30-L193 HydrophobicContact CG-CD2 4.14Å; I45-L193 HydrophobicContact CG2-CD1 4.33Å; T63-L193 HydrophobicContact CG2-CD1 3.44Å; T63-L193 VanDerWaalsContact CG2-CD1 3.44Å; T63-L193 HydrophobicContact CG2-CG 4.01Å; H64-L193 CarbonylContact O-C 3.52Å; H64-L193 VanDerWaalsContact O-CA 3.32Å; H64-L193 WeakPolarHBondContact O-CA 3.32Å; V65-L193 HydrophobicContact CG2-CD1 3.46Å; V65-L193 VanDerWaalsContact CG2-CD1 3.46Å; F162-L193 HydrophobicContact CE2-CD1 4.23Å; F162-L193 HydrophobicContact CE2-CD2 3.96Å; F162-L193 HydrophobicContact CZ-CD2 3.8Å; F164-L193 HydrophobicContact CD2-CD1 4.47Å; F164-L193 HydrophobicContact CE2-CD1 4.29Å; L193-L213 HydrophobicContact CB-CB 4.16Å; L193-L213 HydrophobicContact CD2-CD1 3.93Å; L193-L213 PolarHBondContact N-O 2.77Å; L193-L213 PolarHBondContact O-N 2.64Å; L193-I215 HydrophobicContact CB-CD1 4.37Å; L193-I215 HydrophobicContact CB-CG2 4.45Å
194R95.9Very high88.6Confident40 Ų4047.8 Ų47.815%0.15126%0.255CS..EExtended strand (participates in β ladder)trans-117.9122.7-179.6-62.4-174.5173.2162.311.2110.3T63 H64 E192 V211 R212T63-R194 CarbonylContact C-O 3.55Å; T63-R194 VanDerWaalsContact CA-O 3.23Å; T63-R194 WeakPolarHBondContact CA-O 3.48Å; H64-R194 HydrophobicContact CB-CB 4.44Å; H64-R194 PolarHBondContact N-O 2.93Å; H64-R194 PolarHBondContact O-N 3.28Å; E192-R194 HydrophobicContact CG-CG 3.95Å; E192-R194 IonicContact OE1-CZ 2.68Å; E192-R194 IonicContact OE1-NE 3.03Å; E192-R194 PolarHBondContact OE1-NE 3.04Å; E192-R194 IonicContact OE1-NH2 2.59Å; E192-R194 PolarHBondContact OE1-NH2 2.77Å; R194-V211 CarbonylContact C-O 3.5Å; R194-V211 VanDerWaalsContact CA-O 3.31Å; R194-V211 WeakPolarHBondContact CA-O 3.46Å; R194-R212 HydrophobicContact CG-CG 4.28Å
195T96.2Very high89.4Confident0 Ų047.6 Ų47.60%024%0.244CC..EExtended strand (participates in β ladder)trans-114.2131.9170.8-54.70000109.1I26 T28 V49 V61 F62 T63 A210 V211I26-T195 HydrophobicContact CD1-CG2 4.03Å; I26-T195 WeakPolarHBondContact CD1-O 3.43Å; T28-T195 VanDerWaalsContact OG1-CB 3.23Å; T28-T195 WeakPolarHBondContact OG1-CB 3.11Å; T28-T195 PolarHBondContact OG1-OG1 3.45Å; V49-T195 HydrophobicContact CB-CG2 4.4Å; V49-T195 HydrophobicContact CG1-CG2 3.74Å; V49-T195 HydrophobicContact CG2-CG2 3.7Å; V61-T195 HydrophobicContact CG1-CG2 3.76Å; F62-T195 CarbonylContact O-C 3.45Å; F62-T195 VanDerWaalsContact O-CA 3.25Å; F62-T195 WeakPolarHBondContact O-CA 3.17Å; T63-T195 WeakPolarHBondContact OG1-CG2 3.37Å; T63-T195 PolarHBondContact OG1-OG1 2.92Å; T195-A210 CarbonylContact O-C 3.53Å; T195-A210 VanDerWaalsContact O-CA 3.3Å; T195-A210 WeakPolarHBondContact O-CA 3.11Å; T195-V211 PolarHBondContact N-O 3.39Å; T195-V211 PolarHBondContact O-N 2.8Å
196Y96.5Very high90.4Very high8 Ų847.8 Ų47.83%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-155159-175.464.4-82.3000113.5V61 F62 H64 A198 S201 L205 N209V61-Y196 WeakPolarHBondContact CA-O 3.43Å; F62-Y196 HydrophobicContact CB-CD1 4.44Å; F62-Y196 HydrophobicContact CB-CE1 3.8Å; F62-Y196 HydrophobicContact CB-CE2 4.24Å; F62-Y196 HydrophobicContact CD2-CE2 4.03Å; F62-Y196 PolarHBondContact N-O 3.49Å; F62-Y196 PolarHBondContact O-N 3.34Å; H64-Y196 AromaticContact CD2-CE1 3.71Å; H64-Y196 AromaticContact CE1-CE1 3.8Å; H64-Y196 AromaticContact CE1-CZ 3.78Å; H64-Y196 PolarHBondContact CE1-OH 3.08Å; H64-Y196 AromaticContact CG-CE1 3.99Å; H64-Y196 AromaticContact NE2-CE1 3.58Å; H64-Y196 AromaticContact NE2-CZ 3.59Å; H64-Y196 PolarHBondContact NE2-OH 3.14Å; Y196-A198 HydrophobicContact CD2-CB 3.8Å; Y196-A198 HydrophobicContact CE2-CB 3.61Å; Y196-S201 PolarHBondContact OH-O 3.09Å; Y196-L205 HydrophobicContact CD1-CD1 3.68Å; Y196-L205 HydrophobicContact CD2-CD1 3.66Å; Y196-L205 HydrophobicContact CE1-CD1 4.46Å; Y196-L205 HydrophobicContact CE2-CD1 4.43Å; Y196-L205 HydrophobicContact CG-CD1 3.23Å; Y196-N209 WeakPolarHBondContact CA-O 3.45Å
197V96.2Very high91Very high5 Ų553.5 Ų53.53%0.0327%0.266CS..EExtended strand (participates in β ladder)trans-97126.7176.4-170.20000110.1I26 Y55 V56 R59 K60 V61 N209I26-V197 HydrophobicContact CD1-CG2 4.23Å; I26-V197 HydrophobicContact CG2-CG2 3.68Å; Y55-V197 HydrophobicContact CD1-CG2 4.46Å; Y55-V197 HydrophobicContact CE1-CB 4.41Å; Y55-V197 HydrophobicContact CE1-CG1 4.47Å; Y55-V197 HydrophobicContact CE1-CG2 4.09Å; V56-V197 HydrophobicContact CG1-CG1 4.36Å; V56-V197 HydrophobicContact CG2-CG1 4.16Å; V56-V197 HydrophobicContact CG2-CG2 4.38Å; R59-V197 HydrophobicContact CB-CG1 3.91Å; K60-V197 CarbonylContact O-C 3.58Å; K60-V197 VanDerWaalsContact O-CA 3.28Å; K60-V197 WeakPolarHBondContact O-CA 3.32Å; V61-V197 HydrophobicContact CG2-CG2 4.23Å; V197-N209 HydrophobicContact CB-CB 4.44Å; V197-N209 PolarHBondContact N-O 3.42Å; V197-N209 PolarHBondContact O-ND2 2.97Å
198A94.1Very high91.3Very high9 Ų960 Ų607%0.07429%0.288CS..EExtended strand (participates in β ladder)trans-153.1165.4-179.900000111.7K60 F62 Y196 T200 D203K60-A198 WeakPolarHBondContact CA-O 3.45Å; K60-A198 WeakPolarHBondContact CB-O 3.29Å; K60-A198 PolarHBondContact N-O 3.22Å; K60-A198 PolarHBondContact O-N 3.31Å; K60-A198 VanDerWaalsContact O-O 3.09Å; F62-A198 HydrophobicContact CD2-CB 4.2Å; F62-A198 HydrophobicContact CE2-CB 4.23Å; Y196-A198 HydrophobicContact CD2-CB 3.8Å; Y196-A198 HydrophobicContact CE2-CB 3.61Å; A198-T200 VanDerWaalsContact CB-O 3.23Å; A198-T200 WeakPolarHBondContact CB-O 3.44Å; A198-D203 HydrophobicContact CB-CB 3.92Å
199E91.6Very high91.3Very high138 Ų13860 Ų6065%0.64529%0.287SS*.SBendtrans-80.4-41172.6-70.7175.1-162.500110.1R59 K60 D203R59-E199 HydrophobicContact CG-CG 4.02Å; K60-E199 WeakPolarHBondContact CD-O 3.25Å; E199-D203 PolarHBondContact N-OD2 2.97Å
200T89.4Confident91.4Very high68 Ų6860.3 Ų60.342%0.41729%0.29SS..SBendtrans-126.2160.3176.479.90000111.4F62 A198 D202 D203F62-T200 VanDerWaalsContact CE2-C 3.49Å; A198-T200 VanDerWaalsContact CB-O 3.23Å; A198-T200 WeakPolarHBondContact CB-O 3.44Å; T200-D202 PolarHBondContact O-N 2.74Å; T200-D203 PolarHBondContact N-OD2 3.11Å; T200-D203 PolarHBondContact O-N 3.3Å; T200-D203 VanDerWaalsContact OG1-CG 3.27Å; T200-D203 PolarHBondContact OG1-OD1 3.12Å
201S84.4Confident91.5Very high46 Ų4657.9 Ų57.932%0.32228%0.277SS..THydrogen-bonded Turntrans-68-18.2178.851.40000113.7Y196Y196-S201 PolarHBondContact OH-O 3.09Å
202D82Confident91.5Very high146 Ų14661.6 Ų61.678%0.78129%0.291SS*.THydrogen-bonded Turntrans-98.1-1.1-175.8-59.6-35.7000112.6T200T200-D202 PolarHBondContact O-N 2.74Å
203D81.9Confident91.5Very high62 Ų6260.2 Ų60.233%0.33228%0.284SS..SBendtrans-62144179.6-70.1-15.7000111.5A198 E199 T200 L205A198-D203 HydrophobicContact CB-CB 3.92Å; E199-D203 PolarHBondContact N-OD2 2.97Å; T200-D203 PolarHBondContact N-OD2 3.11Å; T200-D203 PolarHBondContact O-N 3.3Å; T200-D203 VanDerWaalsContact OG1-CG 3.27Å; T200-D203 PolarHBondContact OG1-OD1 3.12Å; D203-L205 PolarHBondContact O-N 3.04Å
204K82Confident91.5Very high197 Ų19762.3 Ų62.386%0.85730%0.302SS*.  trans-61.3115.3176.3-171.2177-177.9177.60110.5Q206K204-Q206 PolarHBondContact O-N 3.35Å; K204-Q206 VanDerWaalsContact O-N 3.15Å
205L82.5Confident91.5Very high40 Ų4060.6 Ų60.621%0.20930%0.296CS..  trans-54.5115.1-179.9-173.763.2000112.8Y196 D203 A210Y196-L205 HydrophobicContact CD1-CD1 3.68Å; Y196-L205 HydrophobicContact CD2-CD1 3.66Å; Y196-L205 HydrophobicContact CE1-CD1 4.46Å; Y196-L205 HydrophobicContact CE2-CD1 4.43Å; Y196-L205 HydrophobicContact CG-CD1 3.23Å; D203-L205 PolarHBondContact O-N 3.04Å; L205-A210 HydrophobicContact CD1-CB 3.51Å; L205-A210 HydrophobicContact CD2-CB 4.43Å; L205-A210 HydrophobicContact CG-CB 4.02Å
206Q89.1Confident91.6Very high91 Ų9161.4 Ų61.443%0.42530%0.299SS..  trans-85.3129.7172.7-59.817720.400109.9K204 R208 N209 A210K204-Q206 PolarHBondContact O-N 3.35Å; K204-Q206 VanDerWaalsContact O-N 3.15Å; Q206-R208 VanDerWaalsContact C-N 3.27Å; Q206-R208 HydrophobicContact CB-CG 4.35Å; Q206-R208 PolarHBondContact O-N 2.98Å; Q206-N209 VanDerWaalsContact CB-OD1 3.31Å; Q206-N209 WeakPolarHBondContact CB-OD1 3.4Å; Q206-N209 PolarHBondContact O-N 2.84Å; Q206-N209 PolarHBondContact O-OD1 2.94Å; Q206-A210 VanDerWaalsContact O-CB 3.25Å; Q206-A210 WeakPolarHBondContact O-CB 3.46Å
207K91Very high91.5Very high164 Ų16461.1 Ų61.171%0.71330%0.298SS*.G310 helixtrans-62-34.3-177.2-68.3-178.9-179.6176.40112.8P22 N209 A210P22-K207 WeakPolarHBondContact CD-O 3.31Å; P22-K207 WeakPolarHBondContact CG-O 3.48Å; K207-N209 VanDerWaalsContact C-N 3.32Å; K207-N209 PolarHBondContact O-N 2.81Å; K207-A210 PolarHBondContact O-N 2.82Å
208R93.9Very high91.5Very high155 Ų15561.3 Ų61.359%0.58530%0.298SS*.G310 helixtrans-65.8-28-174.466.2179.4176.3170.8-0114.8P22 N23 Q206P22-R208 WeakPolarHBondContact CD-O 3.21Å; N23-R208 WeakPolarHBondContact CB-O 3.46Å; N23-R208 PolarHBondContact N-O 2.81Å; N23-R208 VanDerWaalsContact N-O 3.15Å; N23-R208 PolarHBondContact OD1-O 2.96Å; Q206-R208 VanDerWaalsContact C-N 3.27Å; Q206-R208 HydrophobicContact CB-CG 4.35Å; Q206-R208 PolarHBondContact O-N 2.98Å
209N94.5Very high91.5Very high3 Ų361.3 Ų61.32%0.01630%0.298CS..G310 helixtrans-118.323.6-17670.7-17000111.7I26 Y55 Y196 V197 Q206 K207I26-N209 WeakPolarHBondContact CD1-O 3.27Å; Y55-N209 HydrophobicContact CE1-CB 4.29Å; Y196-N209 WeakPolarHBondContact CA-O 3.45Å; V197-N209 HydrophobicContact CB-CB 4.44Å; V197-N209 PolarHBondContact N-O 3.42Å; V197-N209 PolarHBondContact O-ND2 2.97Å; Q206-N209 VanDerWaalsContact CB-OD1 3.31Å; Q206-N209 WeakPolarHBondContact CB-OD1 3.4Å; Q206-N209 PolarHBondContact O-N 2.84Å; Q206-N209 PolarHBondContact O-OD1 2.94Å; K207-N209 VanDerWaalsContact C-N 3.32Å; K207-N209 PolarHBondContact O-N 2.81Å
210A95.7Very high91.6Very high7 Ų756.5 Ų56.56%0.05827%0.274CS..EExtended strand (participates in β ladder)trans-126.2136.9-178.300000110.8P22 T195 L205 Q206 K207P22-A210 WeakPolarHBondContact CD-O 3.47Å; T195-A210 CarbonylContact O-C 3.53Å; T195-A210 VanDerWaalsContact O-CA 3.3Å; T195-A210 WeakPolarHBondContact O-CA 3.11Å; L205-A210 HydrophobicContact CD1-CB 3.51Å; L205-A210 HydrophobicContact CD2-CB 4.43Å; L205-A210 HydrophobicContact CG-CB 4.02Å; Q206-A210 VanDerWaalsContact O-CB 3.25Å; Q206-A210 WeakPolarHBondContact O-CB 3.46Å; K207-A210 PolarHBondContact O-N 2.82Å
211V96.8Very high91.7Very high1 Ų153.2 Ų53.21%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-100.3133.5168.6-174.80000107.7K19 S21 I26 R194 T195 L213K19-V211 HydrophobicContact CB-CG1 3.85Å; K19-V211 HydrophobicContact CD-CG1 4.04Å; K19-V211 HydrophobicContact CG-CG1 3.97Å; S21-V211 VanDerWaalsContact N-CG2 3.33Å; I26-V211 HydrophobicContact CD1-CG2 4.07Å; I26-V211 HydrophobicContact CG1-CG2 4.04Å; R194-V211 CarbonylContact C-O 3.5Å; R194-V211 VanDerWaalsContact CA-O 3.31Å; R194-V211 WeakPolarHBondContact CA-O 3.46Å; T195-V211 PolarHBondContact N-O 3.39Å; T195-V211 PolarHBondContact O-N 2.8Å; V211-L213 HydrophobicContact CG1-CD1 4.24Å; V211-L213 HydrophobicContact CG1-CD2 4.34Å; V211-L213 HydrophobicContact CG1-CG 4.01Å
212R95.8Very high92Very high83 Ų8353.7 Ų53.731%0.31326%0.255SS..EExtended strand (participates in β ladder)trans-125.5125.6174.2-59.2-171.4-177.6-169.40.8110.2K19 E192 R194K19-R212 PolarHBondContact NZ-O 2.87Å; E192-R212 HydrophobicContact CG-CB 4.43Å; E192-R212 WeakPolarHBondContact OE2-CD 3.44Å; R194-R212 HydrophobicContact CG-CG 4.28Å
213L96.4Very high92.1Very high1 Ų151.2 Ų51.21%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-125.3113.5-175.2-63.6167.6000108.3K19 T28 L30 E192 L193 V211 I215 F493K19-L213 HydrophobicContact CB-CD2 3.6Å; K19-L213 HydrophobicContact CD-CD2 3.58Å; K19-L213 HydrophobicContact CD-CG 4.5Å; K19-L213 HydrophobicContact CG-CD2 4.25Å; T28-L213 HydrophobicContact CG2-CD1 3.59Å; L30-L213 HydrophobicContact CD1-CD1 3.93Å; E192-L213 WeakPolarHBondContact CA-O 3.24Å; L193-L213 HydrophobicContact CB-CB 4.16Å; L193-L213 HydrophobicContact CD2-CD1 3.93Å; L193-L213 PolarHBondContact N-O 2.77Å; L193-L213 PolarHBondContact O-N 2.64Å; V211-L213 HydrophobicContact CG1-CD1 4.24Å; V211-L213 HydrophobicContact CG1-CD2 4.34Å; V211-L213 HydrophobicContact CG1-CG 4.01Å; L213-I215 PolarHBondContact O-N 2.78Å; L213-F493 HydrophobicContact CB-CD1 4.25Å; L213-F493 HydrophobicContact CB-CE1 3.83Å; L213-F493 HydrophobicContact CB-CE2 4.18Å; L213-F493 HydrophobicContact CB-CZ 3.78Å; L213-F493 HydrophobicContact CD2-CB 3.63Å; L213-F493 HydrophobicContact CD2-CD1 3.34Å; L213-F493 HydrophobicContact CD2-CD2 3.63Å; L213-F493 HydrophobicContact CD2-CE1 3.81Å; L213-F493 HydrophobicContact CD2-CE2 4.05Å; L213-F493 HydrophobicContact CD2-CG 3.24Å; L213-F493 HydrophobicContact CD2-CZ 4.14Å; L213-F493 HydrophobicContact CG-CD1 4.42Å; L213-F493 HydrophobicContact CG-CE1 4.47Å; L213-F493 HydrophobicContact CG-CG 4.46Å
214A95.2Very high92.2Very high44 Ų4450.4 Ų50.436%0.36425%0.245SC..EExtended strand (participates in β ladder)trans-79.9104.317400000109.2F493 R495A214-F493 VanDerWaalsContact O-CE1 3.27Å; A214-F493 WeakPolarHBondContact O-CE1 3.39Å; A214-F493 VanDerWaalsContact O-CZ 3.26Å; A214-F493 WeakPolarHBondContact O-CZ 3.45Å; A214-R495 PolarHBondContact O-NH1 2.9Å
215I96.7Very high92.3Very high5 Ų548.1 Ų48.13%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-97.8167.7177.261.4174.3000109.6L30 R33 F35 I45 Y191 L193 L213 F493L30-I215 HydrophobicContact CD1-CG2 4.12Å; R33-I215 CarbonylContact O-C 3.6Å; R33-I215 VanDerWaalsContact O-CA 3.29Å; R33-I215 WeakPolarHBondContact O-CA 3.33Å; F35-I215 HydrophobicContact CD2-CB 4.16Å; F35-I215 HydrophobicContact CD2-CD1 4.28Å; F35-I215 HydrophobicContact CE2-CB 3.82Å; F35-I215 HydrophobicContact CE2-CD1 4.06Å; F35-I215 HydrophobicContact CE2-CG1 4.5Å; F35-I215 HydrophobicContact CE2-CG2 3.84Å; I45-I215 HydrophobicContact CD1-CD1 3.59Å; I45-I215 HydrophobicContact CG1-CD1 4.25Å; I45-I215 HydrophobicContact CG2-CD1 4.49Å; Y191-I215 PolarHBondContact O-N 3.48Å; Y191-I215 VanDerWaalsContact O-N 3.12Å; L193-I215 HydrophobicContact CB-CD1 4.37Å; L193-I215 HydrophobicContact CB-CG2 4.45Å; L213-I215 PolarHBondContact O-N 2.78Å; I215-F493 HydrophobicContact CG2-CE2 4.22Å; I215-F493 HydrophobicContact CG2-CZ 3.82Å
216R97Very high92.6Very high17 Ų1748.2 Ų48.26%0.06426%0.257CS..EExtended strand (participates in β ladder)trans-127140.8175.7-62.6-171.6-71.9-1780.3111.5R33 D34 F35 S173 L218 D340 D347R33-R216 PolarHBondContact O-N 2.86Å; D34-R216 CarbonylContact C-O 3.48Å; D34-R216 WeakPolarHBondContact CA-O 3.42Å; D34-R216 VanDerWaalsContact CG-NH2 3.33Å; D34-R216 IonicContact OD1-CZ 3.97Å; D34-R216 IonicContact OD1-NE 3.97Å; D34-R216 PolarHBondContact OD1-NE 3.02Å; D34-R216 IonicContact OD1-NH2 3.25Å; D34-R216 PolarHBondContact OD1-NH2 3.43Å; D34-R216 IonicContact OD2-CZ 2.88Å; D34-R216 IonicContact OD2-NE 2.8Å; D34-R216 IonicContact OD2-NH2 3.25Å; D34-R216 PolarHBondContact OD2-NH2 2.86Å; F35-R216 PolarHBondContact N-O 3.05Å; S173-R216 VanDerWaalsContact OG-CA 3.31Å; S173-R216 WeakPolarHBondContact OG-CA 3.18Å; R216-L218 HydrophobicContact CB-CD2 4.06Å; R216-L218 HydrophobicContact CB-CG 4.21Å; R216-D340 WeakPolarHBondContact CD-O 3.41Å; R216-D340 IonicContact NH1-OD1 2.64Å; R216-D340 PolarHBondContact NH1-OD1 2.97Å; R216-D347 IonicContact CZ-OD2 2.58Å; R216-D347 PolarHBondContact NH1-O 2.87Å; R216-D347 VanDerWaalsContact NH2-CG 3.26Å; R216-D347 PolarHBondContact NH2-O 2.85Å; R216-D347 IonicContact NH2-OD1 2.69Å; R216-D347 IonicContact NH2-OD2 2.95Å; R216-D347 PolarHBondContact NH2-OD2 3.02Å
217K95.8Very high92.7Very high2 Ų249.5 Ų49.51%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-96.3116.4160.7-171.5-167.9-164.7-123.40107.6F35 D37 V42 L166 A170 P171 S173 Y191F35-K217 WeakPolarHBondContact O-CA 3.49Å; D37-K217 HydrophobicContact CB-CG 4.35Å; D37-K217 IonicContact OD2-NZ 3.81Å; D37-K217 PolarHBondContact OD2-NZ 2.85Å; V42-K217 HydrophobicContact CG1-CG 4.46Å; L166-K217 HydrophobicContact CD1-CB 4.27Å; L166-K217 HydrophobicContact CD1-CD 4.24Å; L166-K217 HydrophobicContact CD1-CG 4.22Å; A170-K217 HydrophobicContact CB-CD 4.26Å; A170-K217 WeakPolarHBondContact O-CE 3.19Å; A170-K217 PolarHBondContact O-NZ 2.96Å; P171-K217 WeakPolarHBondContact O-CD 3.36Å; S173-K217 PolarHBondContact N-O 3.4Å; S173-K217 PolarHBondContact OG-N 3.03Å; Y191-K217 HydrophobicContact CD2-CB 4.42Å; Y191-K217 HydrophobicContact CE2-CB 4.07Å
218L95.7Very high92.8Very high8 Ų847.3 Ų47.34%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-114.5140.2-179.3-60.2-177.7000109.4D34 F35 I36 D37 R216 D340D34-L218 HydrophobicContact CB-CD1 3.76Å; D34-L218 HydrophobicContact CB-CG 4.33Å; F35-L218 PolarHBondContact O-N 2.99Å; I36-L218 CarbonylContact C-O 3.38Å; I36-L218 WeakPolarHBondContact CA-O 3.45Å; I36-L218 HydrophobicContact CD1-CB 4.02Å; I36-L218 HydrophobicContact CD1-CD1 4.49Å; D37-L218 PolarHBondContact N-O 3.08Å; R216-L218 HydrophobicContact CB-CD2 4.06Å; R216-L218 HydrophobicContact CB-CG 4.21Å; L218-D340 HydrophobicContact CD2-CB 3.92Å
219T94.3Very high92.9Very high10 Ų1041 Ų416%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-91.3130.1179.4-54.80000110.7L39 I355 T395 H396L39-T219 HydrophobicContact CD2-CG2 4.03Å; T219-I355 HydrophobicContact CG2-CD1 4.25Å; T219-T395 PolarHBondContact O-OG1 3.02Å; T219-H396 WeakPolarHBondContact O-CB 3.08Å; T219-H396 PolarHBondContact O-N 2.94Å; T219-H396 VanDerWaalsContact O-N 3.1Å
220Y94.1Very high93Very high36 Ų3644.6 Ų44.614%0.14127%0.27CS..  trans-111.7120.5165165.6-114000108.1I36 D37 S38 P222 Y256 H396 K398I36-Y220 HydrophobicContact CG2-CG 4.35Å; D37-Y220 PolarHBondContact O-N 2.93Å; D37-Y220 VanDerWaalsContact O-O 3.11Å; S38-Y220 WeakPolarHBondContact CA-O 3.5Å; Y220-P222 HydrophobicContact CE1-CB 4.25Å; Y220-Y256 HydrophobicContact CD2-CE1 4.16Å; Y220-Y256 AromaticContact CE2-CE1 3.9Å; Y220-Y256 HydrophobicContact CE2-CE1 3.9Å; Y220-H396 VanDerWaalsContact CD2-O 3.31Å; Y220-H396 WeakPolarHBondContact CD2-O 3.49Å; Y220-K398 HydrophobicContact CD2-CB 4.32Å; Y220-K398 HydrophobicContact CE1-CB 4.48Å; Y220-K398 HydrophobicContact CE1-CG 4.22Å; Y220-K398 HydrophobicContact CE2-CB 3.57Å; Y220-K398 HydrophobicContact CE2-CG 4.2Å; Y220-K398 VanDerWaalsContact CE2-N 3.34Å
221A92Very high93.1Very high0 Ų045.6 Ų45.60%028%0.279CS..  trans-113.4113.3176.200000108.5L39 K254 I355 T395L39-A221 HydrophobicContact CD1-CB 4.02Å; A221-K254 HydrophobicContact CB-CD 4.34Å; A221-I355 HydrophobicContact CB-CD1 3.62Å; A221-T395 HydrophobicContact CB-CG2 4.05Å; A221-T395 PolarHBondContact N-OG1 3Å; A221-T395 VanDerWaalsContact N-OG1 3.12Å
222P89.4Confident93.1Very high55 Ų5549.2 Ų49.236%0.35730%0.301SS..  trans-61.8142.1-17824.2-33000111.2Y220 G224 K254Y220-P222 HydrophobicContact CE1-CB 4.25Å; P222-G224 PolarHBondContact O-N 2.82Å; P222-K254 WeakPolarHBondContact O-CD 3.44Å; P222-K254 PolarHBondContact O-NZ 2.75Å
223E85Confident93.2Very high94 Ų9447.3 Ų47.344%0.43930%0.298SS..  trans-62.7124.3166.1-75.4-176.9-171.500108.6K252 Y256E223-K252 IonicContact OE1-NZ 3.04Å; E223-K252 PolarHBondContact OE1-NZ 3.29Å; E223-K252 IonicContact OE2-NZ 3.04Å; E223-Y256 HydrophobicContact CG-CE2 3.94Å; E223-Y256 PolarHBondContact N-OH 3.17Å; E223-Y256 VanDerWaalsContact OE1-CE2 3.28Å; E223-Y256 WeakPolarHBondContact OE1-CE2 3.24Å
224G82.7Confident93.1Very high45 Ų4552 Ų5246%0.46432%0.323SS..  trans-126.5165.3175.400000109.8P222 A226P222-G224 PolarHBondContact O-N 2.82Å; G224-A226 PolarHBondContact O-N 2.79Å
225P85.7Confident93Very high149 Ų14953.6 Ų53.697%0.96832%0.322SS*.  trans-64.2105.4174.527.6-32.9000109.1
226A87.2Confident92.8Very high42 Ų4259.9 Ų59.935%0.34735%0.351SS..  trans-128.8147.1177.200000110.2G224 E253G224-A226 PolarHBondContact O-N 2.79Å; A226-E253 HydrophobicContact CB-CB 4.14Å; A226-E253 WeakPolarHBondContact CB-OE2 3.29Å
227P91.6Very high92.3Very high118 Ų11860.1 Ų60.177%0.76635%0.352SS*.PPolyproline II helixtrans-58.1141.9173-21.232.6000111.1P229P227-P229 WeakPolarHBondContact O-CD 3.41Å
228Q92.6Very high91.7Very high119 Ų11968.6 Ų68.656%0.55640%0.396SS*.PPolyproline II helixtrans-61.7124.6172.9-74.8176.851.300109.7S230 L250Q228-S230 PolarHBondContact O-N 3.16Å; Q228-L250 WeakPolarHBondContact CB-O 3.49Å; Q228-L250 WeakPolarHBondContact CG-O 3.24Å; Q228-L250 PolarHBondContact OE1-O 3.04Å
229P96.3Very high90.9Very high21 Ų2176.8 Ų76.814%0.13644%0.436CS..PPolyproline II helixtrans-57.5123.1174.3-2332.3000109.7P227 S249 L250 E253P227-P229 WeakPolarHBondContact O-CD 3.41Å; P229-S249 CarbonylContact O-C 3.42Å; P229-S249 VanDerWaalsContact O-CA 3.23Å; P229-S249 WeakPolarHBondContact O-CA 3.38Å; P229-L250 HydrophobicContact CB-CB 4.31Å; P229-L250 HydrophobicContact CB-CD1 4.18Å; P229-L250 HydrophobicContact CB-CG 4.3Å; P229-L250 HydrophobicContact CG-CB 4.31Å; P229-L250 HydrophobicContact CG-CD1 4.33Å; P229-L250 PolarHBondContact O-N 2.79Å; P229-E253 HydrophobicContact CG-CB 4.15Å; P229-E253 HydrophobicContact CG-CG 4.31Å
230S97.3Very high90.1Very high79 Ų7976.7 Ų76.755%0.55244%0.436SS*.EExtended strand (participates in β ladder)trans-144.5149.4179.655.70000111Q228 V248Q228-S230 PolarHBondContact O-N 3.16Å; S230-V248 CarbonylContact C-O 3.57Å; S230-V248 VanDerWaalsContact CA-O 3.24Å; S230-V248 WeakPolarHBondContact CA-O 3.28Å
231A97.6Very high89.7Confident29 Ų2980 Ų8024%0.2446%0.462CS..EExtended strand (participates in β ladder)trans-151.9145.6175.700000110.1V248 V388 L390A231-V248 PolarHBondContact N-O 2.81Å; A231-V248 PolarHBondContact O-N 3.12Å; A231-V388 HydrophobicContact CB-CG2 3.57Å; A231-L390 HydrophobicContact CB-CD2 3.39Å
232V97.1Very high89.6Confident76 Ų7681.7 Ų81.746%0.46148%0.479SS..EExtended strand (participates in β ladder)trans-121130.3177.7-173.70000108.3R245 L246 E247V232-R245 HydrophobicContact CG1-CG 3.82Å; V232-L246 CarbonylContact C-O 3.53Å; V232-L246 WeakPolarHBondContact CA-O 3.46Å; V232-E247 HydrophobicContact CG1-CB 4.39Å; V232-E247 HydrophobicContact CG2-CB 3.96Å; V232-E247 HydrophobicContact CG2-CG 3.9Å
233V96.6Very high89.8Confident44 Ų4480.7 Ų80.727%0.26747%0.472SS..EExtended strand (participates in β ladder)trans-116.7125.3173.1174.30000108.3R245 L246 V386 V388V233-R245 WeakPolarHBondContact O-CA 3.05Å; V233-L246 PolarHBondContact N-O 2.89Å; V233-L246 PolarHBondContact O-N 3.2Å; V233-V386 HydrophobicContact CG1-CG1 3.95Å; V233-V388 HydrophobicContact CG2-CB 3.78Å; V233-V388 HydrophobicContact CG2-CG2 3.78Å
234L95.2Very high90.3Very high100 Ų10076.2 Ų76.252%0.52445%0.451SS..EExtended strand (participates in β ladder)trans-104.8120170.9-166.871.8000108.6T243 R245L234-T243 HydrophobicContact CD1-CG2 4.41Å; L234-T243 HydrophobicContact CD2-CG2 4.4Å; L234-T243 HydrophobicContact CG-CG2 4.4Å; L234-R245 HydrophobicContact CD1-CB 3.81Å; L234-R245 HydrophobicContact CD1-CG 4.25Å
235K93.7Very high90.9Very high77 Ų7777.2 Ų77.234%0.33544%0.441SS..EExtended strand (participates in β ladder)trans-109.2122177.1-175.967.3173.91790110.6F237 T243 L244 S384 V386K235-F237 HydrophobicContact CG-CE1 4.02Å; K235-F237 HydrophobicContact CG-CZ 3.98Å; K235-T243 WeakPolarHBondContact O-CA 3.07Å; K235-L244 PolarHBondContact N-O 2.88Å; K235-L244 PolarHBondContact O-N 2.95Å; K235-S384 VanDerWaalsContact CE-OG 3.31Å; K235-S384 WeakPolarHBondContact CE-OG 3.32Å; K235-V386 HydrophobicContact CB-CG1 4.34Å; K235-V386 HydrophobicContact CB-CG2 3.64Å; K235-V386 HydrophobicContact CG-CG2 3.75Å
236E91.4Very high91.5Very high137 Ų13770.1 Ų70.164%0.6440%0.395SS*.EExtended strand (participates in β ladder)trans-96.9151.4167.5-54.3-172.5170.700110.1T243E236-T243 HydrophobicContact CG-CG2 3.98Å
237F86.8Confident92Very high22 Ų2270.8 Ų70.810%0.09639%0.391CS..EExtended strand (participates in β ladder)trans-118.3129.2-177.1-60.6-80.1000110.4K235 M239 S240 L244 K273 L379K235-F237 HydrophobicContact CG-CE1 4.02Å; K235-F237 HydrophobicContact CG-CZ 3.98Å; F237-M239 VanDerWaalsContact C-N 3.27Å; F237-M239 PolarHBondContact O-N 3.01Å; F237-S240 PolarHBondContact O-N 3.24Å; F237-L244 HydrophobicContact CE2-CB 3.87Å; F237-L244 HydrophobicContact CZ-CB 4.08Å; F237-L244 HydrophobicContact CZ-CD2 4.34Å; F237-K273 HydrophobicContact CD1-CG 4.26Å; F237-K273 HydrophobicContact CD2-CG 4.13Å; F237-K273 HydrophobicContact CE1-CG 4.21Å; F237-K273 HydrophobicContact CE2-CG 4.07Å; F237-K273 HydrophobicContact CG-CG 4.24Å; F237-K273 HydrophobicContact CZ-CG 4.13Å; F237-L379 HydrophobicContact CE1-CD2 3.57Å; F237-L379 HydrophobicContact CE2-CD2 4.4Å; F237-L379 HydrophobicContact CZ-CD2 3.31Å
238I83.9Confident92.3Very high179 Ų17965.2 Ų65.292%0.91836%0.355SS*.THydrogen-bonded Turntrans-58.1-36.1-172.8-62170.4000113.1
239M79.2Confident92.6Very high180 Ų18060.3 Ų60.389%0.88733%0.333SS*.THydrogen-bonded Turntrans-110.312.1-174.6-62-179.4179.600113.6F237F237-M239 VanDerWaalsContact C-N 3.27Å; F237-M239 PolarHBondContact O-N 3.01Å
240S77.1Confident92.7Very high9 Ų959.4 Ų59.46%0.06333%0.327CS..EExtended strand (participates in β ladder)trans-141.8119.6-170.6-85.80000109.5F237 N272 K273F237-S240 PolarHBondContact O-N 3.24Å; S240-N272 WeakPolarHBondContact CB-OD1 3.44Å; S240-N272 VanDerWaalsContact OG-CG 3.28Å; S240-N272 PolarHBondContact OG-ND2 3.05Å; S240-N272 PolarHBondContact OG-OD1 3.1Å; S240-K273 WeakPolarHBondContact OG-CE 3.44Å; S240-K273 PolarHBondContact OG-NZ 2.71Å
241P85.4Confident92.5Very high105 Ų10558.4 Ų58.468%0.68232%0.316SS*.EExtended strand (participates in β ladder)trans-64.4151.6174.128.7-34.1000110.5
242G89.4Confident92.4Very high35 Ų3559.9 Ų59.936%0.36132%0.317SS..EExtended strand (participates in β ladder)trans95.8175.3177.300000114.5N270G242-N270 VanDerWaalsContact CA-O 3.23Å; G242-N270 WeakPolarHBondContact CA-O 3.38Å
243T93.3Very high92.3Very high34 Ų3460 Ų6021%0.20931%0.312CS..EExtended strand (participates in β ladder)trans-130.2146.3-171.964.10000111.1L234 K235 E236 N270 S271L234-T243 HydrophobicContact CD1-CG2 4.41Å; L234-T243 HydrophobicContact CD2-CG2 4.4Å; L234-T243 HydrophobicContact CG-CG2 4.4Å; K235-T243 WeakPolarHBondContact O-CA 3.07Å; E236-T243 HydrophobicContact CG-CG2 3.98Å; T243-N270 PolarHBondContact N-O 3.4Å; T243-N270 CarbonylContact O-C 3.4Å; T243-N270 VanDerWaalsContact O-C 3.28Å; T243-N270 VanDerWaalsContact O-CA 3.3Å; T243-N270 WeakPolarHBondContact O-CA 3.4Å; T243-N270 WeakPolarHBondContact O-CB 3.39Å; T243-N270 PolarHBondContact O-N 2.79Å; T243-S271 PolarHBondContact O-N 2.85Å
244L95.2Very high92.2Very high0 Ų060.1 Ų60.10%031%0.309CS..EExtended strand (participates in β ladder)trans-107.8114.5168.517961.8000108.4K235 F237 V267 N269 V275 L377 L379 V386K235-L244 PolarHBondContact N-O 2.88Å; K235-L244 PolarHBondContact O-N 2.95Å; F237-L244 HydrophobicContact CE2-CB 3.87Å; F237-L244 HydrophobicContact CZ-CB 4.08Å; F237-L244 HydrophobicContact CZ-CD2 4.34Å; L244-V267 HydrophobicContact CD1-CG1 3.69Å; L244-N269 HydrophobicContact CD1-CB 3.75Å; L244-V275 HydrophobicContact CD1-CG2 4.15Å; L244-V275 HydrophobicContact CD2-CG2 3.95Å; L244-L377 HydrophobicContact CD2-CD1 4.18Å; L244-L379 HydrophobicContact CD2-CD1 3.87Å; L244-L379 HydrophobicContact CD2-CD2 3.8Å; L244-L379 HydrophobicContact CD2-CG 4.21Å; L244-V386 HydrophobicContact CD2-CB 4.43Å; L244-V386 HydrophobicContact CD2-CG2 3.8Å
245R96.5Very high92.3Very high67 Ų6755.4 Ų55.425%0.25328%0.284SS..EExtended strand (participates in β ladder)trans-99123177.2-174.5178.5176.6-85.2-8.4109.1V232 V233 L234 E247 V267 D268V232-R245 HydrophobicContact CG1-CG 3.82Å; V233-R245 WeakPolarHBondContact O-CA 3.05Å; L234-R245 HydrophobicContact CD1-CB 3.81Å; L234-R245 HydrophobicContact CD1-CG 4.25Å; R245-E247 IonicContact CZ-OE2 3.19Å; R245-E247 IonicContact NH1-OE2 2.88Å; R245-E247 PolarHBondContact NH1-OE2 2.87Å; R245-E247 IonicContact NH2-OE2 2.66Å; R245-E247 PolarHBondContact NH2-OE2 3.2Å; R245-V267 WeakPolarHBondContact O-CA 3.38Å; R245-D268 HydrophobicContact CB-CB 4.05Å; R245-D268 IonicContact CZ-OD2 3.9Å; R245-D268 PolarHBondContact N-O 2.81Å; R245-D268 IonicContact NH1-OD2 2.98Å; R245-D268 PolarHBondContact NH1-OD2 3.44Å; R245-D268 PolarHBondContact O-N 3.36Å
246L97.6Very high92.4Very high0 Ų053.6 Ų53.60%028%0.276CS..EExtended strand (participates in β ladder)trans-114.4116.5172.117061.9000108V232 V233 V248 V265 V267 V375 L377 V386 V388V232-L246 CarbonylContact C-O 3.53Å; V232-L246 WeakPolarHBondContact CA-O 3.46Å; V233-L246 PolarHBondContact N-O 2.89Å; V233-L246 PolarHBondContact O-N 3.2Å; L246-V248 HydrophobicContact CD1-CG2 3.76Å; L246-V248 HydrophobicContact CG-CG2 4.07Å; L246-V265 HydrophobicContact CD1-CG1 3.65Å; L246-V267 HydrophobicContact CD1-CG2 4.06Å; L246-V375 HydrophobicContact CD1-CG1 4.38Å; L246-L377 HydrophobicContact CB-CD1 4.17Å; L246-L377 HydrophobicContact CD1-CD1 4.03Å; L246-L377 HydrophobicContact CD1-CD2 4.45Å; L246-L377 HydrophobicContact CD1-CG 4.19Å; L246-L377 HydrophobicContact CD2-CD1 4.28Å; L246-L377 HydrophobicContact CD2-CG 4.13Å; L246-L377 HydrophobicContact CG-CD1 4.39Å; L246-V386 HydrophobicContact CB-CG1 4.14Å; L246-V386 HydrophobicContact CD2-CG1 4.07Å; L246-V388 HydrophobicContact CD2-CB 4.28Å; L246-V388 HydrophobicContact CD2-CG1 3.75Å; L246-V388 HydrophobicContact CG-CG1 4.11Å
247E97.9Very high92.7Very high56 Ų5648.4 Ų48.426%0.26225%0.251SS..EExtended strand (participates in β ladder)trans-112.6131.8172.8168.3170.5-166.900109.1V232 R245 L266V232-E247 HydrophobicContact CG1-CB 4.39Å; V232-E247 HydrophobicContact CG2-CB 3.96Å; V232-E247 HydrophobicContact CG2-CG 3.9Å; R245-E247 IonicContact CZ-OE2 3.19Å; R245-E247 IonicContact NH1-OE2 2.88Å; R245-E247 PolarHBondContact NH1-OE2 2.87Å; R245-E247 IonicContact NH2-OE2 2.66Å; R245-E247 PolarHBondContact NH2-OE2 3.2Å; E247-L266 HydrophobicContact CB-CB 4.12Å; E247-L266 HydrophobicContact CB-CD2 4.27Å; E247-L266 HydrophobicContact CG-CB 4.44Å; E247-L266 PolarHBondContact N-O 3.43Å; E247-L266 PolarHBondContact O-N 3.21Å; E247-L266 VanDerWaalsContact OE2-CD2 3.28Å; E247-L266 WeakPolarHBondContact OE2-CD2 3.4Å
248V98.4Very high93Very high1 Ų148.4 Ų48.41%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-132.2138.4178.8-177.90000109S230 A231 L246 I263 N264 V265 V375 V388 L390S230-V248 CarbonylContact C-O 3.57Å; S230-V248 VanDerWaalsContact CA-O 3.24Å; S230-V248 WeakPolarHBondContact CA-O 3.28Å; A231-V248 PolarHBondContact N-O 2.81Å; A231-V248 PolarHBondContact O-N 3.12Å; L246-V248 HydrophobicContact CD1-CG2 3.76Å; L246-V248 HydrophobicContact CG-CG2 4.07Å; V248-I263 HydrophobicContact CG1-CG2 3.71Å; V248-N264 CarbonylContact C-O 3.6Å; V248-N264 VanDerWaalsContact CA-O 3.26Å; V248-N264 WeakPolarHBondContact CA-O 3.47Å; V248-V265 HydrophobicContact CG2-CG1 4.26Å; V248-V265 HydrophobicContact CG2-CG2 4.28Å; V248-V375 HydrophobicContact CG1-CG2 3.82Å; V248-V375 HydrophobicContact CG2-CB 3.98Å; V248-V375 HydrophobicContact CG2-CG1 4.14Å; V248-V375 HydrophobicContact CG2-CG2 3.98Å; V248-V388 HydrophobicContact CB-CG1 3.87Å; V248-V388 HydrophobicContact CG2-CG1 3.38Å; V248-L390 HydrophobicContact CB-CD1 4.04Å; V248-L390 HydrophobicContact CG1-CD1 3.6Å; V248-L390 HydrophobicContact CG1-CG 4.48Å
249S98.1Very high93.6Very high16 Ų1642 Ų4211%0.11222%0.224CC..EExtended strand (participates in β ladder)trans-136.3152.617168.40000112.6P229 N264P229-S249 CarbonylContact O-C 3.42Å; P229-S249 VanDerWaalsContact O-CA 3.23Å; P229-S249 WeakPolarHBondContact O-CA 3.38Å; S249-N264 PolarHBondContact N-O 2.85Å; S249-N264 PolarHBondContact O-N 3.33Å; S249-N264 WeakPolarHBondContact OG-CB 3.45Å; S249-N264 PolarHBondContact OG-ND2 3.28Å
250L98.1Very high94.5Very high1 Ų135.7 Ų35.71%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-105.4145.8173.4-56.3-175.7000110.1Q228 P229 K252 I261 I263 V373 L390 F392Q228-L250 WeakPolarHBondContact CB-O 3.49Å; Q228-L250 WeakPolarHBondContact CG-O 3.24Å; Q228-L250 PolarHBondContact OE1-O 3.04Å; P229-L250 HydrophobicContact CB-CB 4.31Å; P229-L250 HydrophobicContact CB-CD1 4.18Å; P229-L250 HydrophobicContact CB-CG 4.3Å; P229-L250 HydrophobicContact CG-CB 4.31Å; P229-L250 HydrophobicContact CG-CD1 4.33Å; P229-L250 PolarHBondContact O-N 2.79Å; L250-K252 VanDerWaalsContact C-N 3.28Å; L250-K252 PolarHBondContact O-N 2.91Å; L250-I261 HydrophobicContact CD2-CG2 4.17Å; L250-I263 HydrophobicContact CD2-CB 4.33Å; L250-I263 HydrophobicContact CD2-CG1 3.84Å; L250-I263 HydrophobicContact CD2-CG2 4.21Å; L250-V373 HydrophobicContact CD1-CG2 4.18Å; L250-V373 HydrophobicContact CD2-CB 4.2Å; L250-V373 HydrophobicContact CD2-CG1 4.34Å; L250-V373 HydrophobicContact CD2-CG2 3.94Å; L250-L390 HydrophobicContact CD1-CB 4.1Å; L250-L390 HydrophobicContact CD2-CD1 4.17Å; L250-L390 HydrophobicContact CG-CB 4.29Å; L250-L390 HydrophobicContact CG-CD1 3.84Å; L250-F392 HydrophobicContact CD1-CB 4.01Å; L250-F392 HydrophobicContact CD1-CD1 4.45Å
251N94.9Very high95.5Very high59 Ų5935.2 Ų35.232%0.31619%0.194SC..SBendtrans-68-25.3178.166.8-43.9000113.7Y255 D262N251-Y255 WeakPolarHBondContact OD1-CE1 3.27Å; N251-Y255 PolarHBondContact OD1-OH 3.25Å; N251-D262 HydrophobicContact CB-CB 4.11Å; N251-D262 PolarHBondContact N-O 3.29Å; N251-D262 PolarHBondContact OD1-N 3.22Å; N251-D262 PolarHBondContact OD1-O 3.29Å
252K94.5Very high96.1Very high59 Ų5932.3 Ų32.326%0.25717%0.173SC..  trans-141.1159.3179.1-60.6-179.2177.1-175.80111.3E223 L250 K254 Y255 E259E223-K252 IonicContact OE1-NZ 3.04Å; E223-K252 PolarHBondContact OE1-NZ 3.29Å; E223-K252 IonicContact OE2-NZ 3.04Å; L250-K252 VanDerWaalsContact C-N 3.28Å; L250-K252 PolarHBondContact O-N 2.91Å; K252-K254 WeakPolarHBondContact CB-O 3.24Å; K252-Y255 HydrophobicContact CB-CE1 4Å; K252-Y255 HydrophobicContact CB-CE2 4.16Å; K252-Y255 HydrophobicContact CD-CE1 4.34Å; K252-Y255 HydrophobicContact CG-CE1 4.43Å; K252-Y255 PolarHBondContact N-OH 2.73Å; K252-Y255 VanDerWaalsContact N-OH 3.15Å; K252-Y255 VanDerWaalsContact O-CE2 3.25Å; K252-Y255 WeakPolarHBondContact O-CE2 3.32Å; K252-Y255 PolarHBondContact O-OH 2.74Å; K252-E259 WeakPolarHBondContact CE-OE1 3.18Å; K252-E259 IonicContact NZ-OE1 3.19Å; K252-E259 PolarHBondContact NZ-OE1 3.3Å
253E94.7Very high96.5Very high79 Ų7930.6 Ų30.637%0.36916%0.156SC..SBendtrans-83.7-34168.9-171.5-163.5-177.400112.1A226 P229 F392 T393A226-E253 HydrophobicContact CB-CB 4.14Å; A226-E253 WeakPolarHBondContact CB-OE2 3.29Å; P229-E253 HydrophobicContact CG-CB 4.15Å; P229-E253 HydrophobicContact CG-CG 4.31Å; E253-F392 WeakPolarHBondContact O-CA 3.49Å; E253-F392 WeakPolarHBondContact O-CB 3.37Å; E253-T393 PolarHBondContact O-N 2.79Å
254K95.1Very high96.7Very high46 Ų4631.5 Ų31.520%0.216%0.159CC..EExtended strand (participates in β ladder)trans-118.2139.6-175.9-51.5-174.9-171.7170.60109.8A221 P222 K252 T393A221-K254 HydrophobicContact CB-CD 4.34Å; P222-K254 WeakPolarHBondContact O-CD 3.44Å; P222-K254 PolarHBondContact O-NZ 2.75Å; K252-K254 WeakPolarHBondContact CB-O 3.24Å; K254-T393 CarbonylContact C-O 3.56Å; K254-T393 WeakPolarHBondContact CA-O 3.32Å; K254-T393 HydrophobicContact CG-CG2 4.44Å
255Y96.5Very high96.8Very high1 Ų131.5 Ų31.50%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-132.9148.6177.2-63.9-89.1000109.7N251 K252 E259 I261 F392 T393 L394 T395N251-Y255 WeakPolarHBondContact OD1-CE1 3.27Å; N251-Y255 PolarHBondContact OD1-OH 3.25Å; K252-Y255 HydrophobicContact CB-CE1 4Å; K252-Y255 HydrophobicContact CB-CE2 4.16Å; K252-Y255 HydrophobicContact CD-CE1 4.34Å; K252-Y255 HydrophobicContact CG-CE1 4.43Å; K252-Y255 PolarHBondContact N-OH 2.73Å; K252-Y255 VanDerWaalsContact N-OH 3.15Å; K252-Y255 VanDerWaalsContact O-CE2 3.25Å; K252-Y255 WeakPolarHBondContact O-CE2 3.32Å; K252-Y255 PolarHBondContact O-OH 2.74Å; Y255-E259 WeakPolarHBondContact CA-OE2 3.43Å; Y255-E259 HydrophobicContact CD1-CG 4.29Å; Y255-I261 HydrophobicContact CD1-CB 4.49Å; Y255-I261 HydrophobicContact CD1-CG1 3.87Å; Y255-I261 HydrophobicContact CD2-CG1 4.18Å; Y255-I261 HydrophobicContact CE1-CB 4.12Å; Y255-I261 HydrophobicContact CE1-CG1 3.98Å; Y255-I261 HydrophobicContact CE1-CG2 4.13Å; Y255-I261 HydrophobicContact CE2-CG1 4.28Å; Y255-I261 HydrophobicContact CE2-CG2 4.06Å; Y255-I261 HydrophobicContact CG-CG1 3.96Å; Y255-F392 HydrophobicContact CD2-CB 4.21Å; Y255-F392 AromaticContact CD2-CD2 3.64Å; Y255-F392 HydrophobicContact CD2-CD2 3.64Å; Y255-F392 HydrophobicContact CD2-CE2 4.32Å; Y255-F392 HydrophobicContact CD2-CG 4.15Å; Y255-F392 HydrophobicContact CE2-CB 4.17Å; Y255-F392 HydrophobicContact CE2-CD2 4.29Å; Y255-F392 HydrophobicContact CE2-CG 4.36Å; Y255-T393 PolarHBondContact N-O 2.96Å; Y255-L394 WeakPolarHBondContact O-CA 3.24Å; Y255-T395 PolarHBondContact O-N 2.88Å
256Y96.7Very high96.9Very high40 Ų4030.1 Ų30.116%0.15716%0.157CC..EExtended strand (participates in β ladder)trans-93.5155.3174.4-59.7-63.6000112.1Y220 E223 G258 E259 T395 H396 P397Y220-Y256 HydrophobicContact CD2-CE1 4.16Å; Y220-Y256 AromaticContact CE2-CE1 3.9Å; Y220-Y256 HydrophobicContact CE2-CE1 3.9Å; E223-Y256 HydrophobicContact CG-CE2 3.94Å; E223-Y256 PolarHBondContact N-OH 3.17Å; E223-Y256 VanDerWaalsContact OE1-CE2 3.28Å; E223-Y256 WeakPolarHBondContact OE1-CE2 3.24Å; Y256-G258 PolarHBondContact O-N 3.22Å; Y256-E259 PolarHBondContact N-OE2 2.58Å; Y256-E259 WeakPolarHBondContact O-CB 3.38Å; Y256-E259 PolarHBondContact O-N 2.97Å; Y256-T395 CarbonylContact C-O 3.56Å; Y256-T395 VanDerWaalsContact CA-O 3.29Å; Y256-T395 WeakPolarHBondContact CA-O 3.36Å; Y256-T395 HydrophobicContact CD1-CG2 3.48Å; Y256-T395 VanDerWaalsContact CD1-CG2 3.48Å; Y256-T395 HydrophobicContact CE1-CG2 3.51Å; Y256-H396 WeakPolarHBondContact CD1-O 3.4Å; Y256-H396 VanDerWaalsContact CE1-O 3.29Å; Y256-H396 WeakPolarHBondContact CE1-O 3.45Å; Y256-P397 HydrophobicContact CD1-CB 4.43Å; Y256-P397 HydrophobicContact CG-CB 4.37Å
257H96.4Very high96.9Very high27 Ų2730.1 Ų30.113%0.12516%0.157CC..THydrogen-bonded Turntrans-53.9126.9173.7-69.2-57.6000111E259 L350 S352 T395 H396H257-E259 VanDerWaalsContact C-N 3.34Å; H257-L350 PolarHBondContact CE1-O 3.46Å; H257-L350 PolarHBondContact NE2-O 2.88Å; H257-S352 PolarHBondContact NE2-OG 3.1Å; H257-S352 VanDerWaalsContact NE2-OG 3.17Å; H257-T395 PolarHBondContact CD2-O 2.98Å; H257-T395 PolarHBondContact N-O 2.96Å; H257-H396 AromaticContact CD2-CD2 3.79Å; H257-H396 AromaticContact CD2-CE1 3.71Å; H257-H396 AromaticContact CD2-CG 3.83Å; H257-H396 AromaticContact CD2-ND1 3.78Å; H257-H396 AromaticContact CD2-NE2 3.7Å; H257-H396 AromaticContact NE2-CD2 3.84Å; H257-H396 AromaticContact NE2-NE2 3.78Å
258G94.7Very high96.8Very high22 Ų2228.8 Ų28.823%0.22715%0.151CC..THydrogen-bonded Turntrans84.3-1.3-17700000115.1Y256 R325Y256-G258 PolarHBondContact O-N 3.22Å; G258-R325 PolarHBondContact O-NE 2.95Å; G258-R325 PolarHBondContact O-NH2 3.1Å
259E96.2Very high96.6Very high46 Ų4628.7 Ų28.722%0.21515%0.151CC..  trans-78.6148.8170.9-167.1178.3178.300111.5K252 Y255 Y256 H257K252-E259 WeakPolarHBondContact CE-OE1 3.18Å; K252-E259 IonicContact NZ-OE1 3.19Å; K252-E259 PolarHBondContact NZ-OE1 3.3Å; Y255-E259 WeakPolarHBondContact CA-OE2 3.43Å; Y255-E259 HydrophobicContact CD1-CG 4.29Å; Y256-E259 PolarHBondContact N-OE2 2.58Å; Y256-E259 WeakPolarHBondContact O-CB 3.38Å; Y256-E259 PolarHBondContact O-N 2.97Å; H257-E259 VanDerWaalsContact C-N 3.34Å
260S97.3Very high96.5Very high46 Ų4632 Ų3232%0.32217%0.167SC..  trans-86.9137.7172.2-62.70000110.8L324S260-L324 CarbonylContact C-O 3.56Å; S260-L324 WeakPolarHBondContact CA-O 3.34Å
261I98Very high96.2Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-94.8116177.4-56.4174.9000108.1L250 Y255 I263 V282 K323 L324 P326 V373 F392L250-I261 HydrophobicContact CD2-CG2 4.17Å; Y255-I261 HydrophobicContact CD1-CB 4.49Å; Y255-I261 HydrophobicContact CD1-CG1 3.87Å; Y255-I261 HydrophobicContact CD2-CG1 4.18Å; Y255-I261 HydrophobicContact CE1-CB 4.12Å; Y255-I261 HydrophobicContact CE1-CG1 3.98Å; Y255-I261 HydrophobicContact CE1-CG2 4.13Å; Y255-I261 HydrophobicContact CE2-CG1 4.28Å; Y255-I261 HydrophobicContact CE2-CG2 4.06Å; Y255-I261 HydrophobicContact CG-CG1 3.96Å; I261-I263 HydrophobicContact CG2-CD1 4.49Å; I261-I263 HydrophobicContact CG2-CG1 3.92Å; I261-V282 HydrophobicContact CD1-CG2 4.15Å; I261-K323 WeakPolarHBondContact O-CA 3.48Å; I261-L324 PolarHBondContact N-O 3.03Å; I261-L324 PolarHBondContact O-N 2.79Å; I261-L324 VanDerWaalsContact O-N 3.08Å; I261-P326 HydrophobicContact CD1-CG 4.06Å; I261-V373 HydrophobicContact CG2-CG2 4.15Å; I261-F392 HydrophobicContact CD1-CD2 4.38Å; I261-F392 HydrophobicContact CD1-CE1 4.02Å; I261-F392 HydrophobicContact CD1-CE2 3.71Å; I261-F392 HydrophobicContact CD1-CZ 3.48Å; I261-F392 VanDerWaalsContact CD1-CZ 3.48Å
262D97.9Very high95.9Very high43 Ų4333.1 Ų33.123%0.2317%0.173CC..EExtended strand (participates in β ladder)trans-88.5120174.2-64.5-18.8000109.3N251 V321 Y322 K323N251-D262 HydrophobicContact CB-CB 4.11Å; N251-D262 PolarHBondContact N-O 3.29Å; N251-D262 PolarHBondContact OD1-N 3.22Å; N251-D262 PolarHBondContact OD1-O 3.29Å; D262-V321 HydrophobicContact CB-CG1 4.17Å; D262-Y322 WeakPolarHBondContact CA-O 3.43Å; D262-K323 WeakPolarHBondContact OD1-CD 3.32Å; D262-K323 WeakPolarHBondContact OD1-CE 3.3Å; D262-K323 VanDerWaalsContact OD1-CG 3.27Å; D262-K323 WeakPolarHBondContact OD1-CG 3.4Å; D262-K323 IonicContact OD1-NZ 3.31Å; D262-K323 PolarHBondContact OD1-NZ 3.46Å; D262-K323 IonicContact OD2-NZ 3.73Å
263I98.3Very high95.8Very high0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans-114.8108.1-174.2-53.4161.1000108.3V248 L250 I261 V265 L280 V321 Y322 L324 V373 V375V248-I263 HydrophobicContact CG1-CG2 3.71Å; L250-I263 HydrophobicContact CD2-CB 4.33Å; L250-I263 HydrophobicContact CD2-CG1 3.84Å; L250-I263 HydrophobicContact CD2-CG2 4.21Å; I261-I263 HydrophobicContact CG2-CD1 4.49Å; I261-I263 HydrophobicContact CG2-CG1 3.92Å; I263-V265 HydrophobicContact CG2-CG2 4.08Å; I263-L280 HydrophobicContact CB-CD2 4.21Å; I263-L280 HydrophobicContact CD1-CD2 3.92Å; I263-L280 HydrophobicContact CG2-CD2 4Å; I263-V321 CarbonylContact O-C 3.52Å; I263-V321 WeakPolarHBondContact O-CA 3.25Å; I263-Y322 PolarHBondContact N-O 3.47Å; I263-Y322 PolarHBondContact O-N 2.8Å; I263-L324 HydrophobicContact CD1-CB 4.26Å; I263-L324 HydrophobicContact CD1-CD1 3.69Å; I263-L324 HydrophobicContact CD1-CG 3.87Å; I263-V373 HydrophobicContact CD1-CG1 3.53Å; I263-V373 HydrophobicContact CD1-CG2 4.34Å; I263-V373 HydrophobicContact CG1-CG1 3.98Å; I263-V373 HydrophobicContact CG2-CG1 4.18Å; I263-V375 HydrophobicContact CG2-CG2 4.05Å
264N98Very high95.6Very high53 Ų5331 Ų3128%0.28317%0.167SC..EExtended strand (participates in β ladder)trans-84.2127.2174.7-179.436.1000110V248 S249 C319 V321V248-N264 CarbonylContact C-O 3.6Å; V248-N264 VanDerWaalsContact CA-O 3.26Å; V248-N264 WeakPolarHBondContact CA-O 3.47Å; S249-N264 PolarHBondContact N-O 2.85Å; S249-N264 PolarHBondContact O-N 3.33Å; S249-N264 WeakPolarHBondContact OG-CB 3.45Å; S249-N264 PolarHBondContact OG-ND2 3.28Å; N264-C319 PolarHBondContact OD1-SG 2.77Å; N264-C319 VanDerWaalsContact OD1-SG 3.34Å; N264-V321 HydrophobicContact CB-CG2 4.35Å
265V97.9Very high95.6Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-124.6121.9179.5-174.80000109.5L246 V248 I263 V267 I278 L280 W318 C319 K320 Y322 V375L246-V265 HydrophobicContact CD1-CG1 3.65Å; V248-V265 HydrophobicContact CG2-CG1 4.26Å; V248-V265 HydrophobicContact CG2-CG2 4.28Å; I263-V265 HydrophobicContact CG2-CG2 4.08Å; V265-V267 HydrophobicContact CG1-CG2 4.1Å; V265-I278 HydrophobicContact CB-CD1 4.39Å; V265-I278 HydrophobicContact CG1-CD1 3.88Å; V265-I278 HydrophobicContact CG2-CD1 4.22Å; V265-L280 HydrophobicContact CG2-CD2 4.36Å; V265-W318 HydrophobicContact CB-CZ3 4.2Å; V265-W318 HydrophobicContact CG1-CZ3 3.94Å; V265-C319 VanDerWaalsContact O-CA 3.32Å; V265-C319 WeakPolarHBondContact O-CA 3.34Å; V265-K320 PolarHBondContact N-O 3.34Å; V265-K320 PolarHBondContact O-N 2.58Å; V265-Y322 HydrophobicContact CB-CE2 4.4Å; V265-Y322 HydrophobicContact CG2-CD2 3.96Å; V265-Y322 HydrophobicContact CG2-CE2 4.24Å; V265-V375 HydrophobicContact CG1-CG1 4.3Å; V265-V375 HydrophobicContact CG2-CG1 4.18Å; V265-V375 HydrophobicContact CG2-CG2 4.31Å
266L97.5Very high95.5Very high38 Ų3834 Ų3420%0.19918%0.18CC..EExtended strand (participates in β ladder)trans-114.4132.3173.4-179.284.7000109.7E247 W318 C319E247-L266 HydrophobicContact CB-CB 4.12Å; E247-L266 HydrophobicContact CB-CD2 4.27Å; E247-L266 HydrophobicContact CG-CB 4.44Å; E247-L266 PolarHBondContact N-O 3.43Å; E247-L266 PolarHBondContact O-N 3.21Å; E247-L266 VanDerWaalsContact OE2-CD2 3.28Å; E247-L266 WeakPolarHBondContact OE2-CD2 3.4Å; L266-W318 CarbonylContact C-O 3.28Å; L266-W318 VanDerWaalsContact CA-O 3.29Å; L266-W318 WeakPolarHBondContact CA-O 3.37Å; L266-W318 WeakPolarHBondContact CD1-O 3.48Å; L266-C319 HydrophobicContact CD1-CB 3.89Å
267V97.2Very high95.5Very high0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-127.8120.5179.7-176.80000110L244 R245 L246 V265 I311 W318 L377L244-V267 HydrophobicContact CD1-CG1 3.69Å; R245-V267 WeakPolarHBondContact O-CA 3.38Å; L246-V267 HydrophobicContact CD1-CG2 4.06Å; V265-V267 HydrophobicContact CG1-CG2 4.1Å; V267-I311 HydrophobicContact CB-CD1 3.86Å; V267-I311 HydrophobicContact CG1-CD1 3.85Å; V267-I311 HydrophobicContact CG2-CD1 4.15Å; V267-W318 HydrophobicContact CB-CB 4.47Å; V267-W318 HydrophobicContact CB-CE3 3.94Å; V267-W318 HydrophobicContact CG2-CE3 3.67Å; V267-W318 HydrophobicContact CG2-CZ3 3.89Å; V267-W318 PolarHBondContact N-O 3.11Å; V267-W318 PolarHBondContact O-N 3.16Å; V267-L377 HydrophobicContact CG1-CD1 3.95Å; V267-L377 HydrophobicContact CG2-CD1 3.85Å; V267-L377 HydrophobicContact CG2-CD2 4.11Å
268D96.5Very high95.5Very high27 Ų2734.1 Ų34.114%0.14418%0.181CC..EExtended strand (participates in β ladder)trans-109.4106.1168.7-52.4-56.4000109.5R245 N270 T316 G317R245-D268 HydrophobicContact CB-CB 4.05Å; R245-D268 IonicContact CZ-OD2 3.9Å; R245-D268 PolarHBondContact N-O 2.81Å; R245-D268 IonicContact NH1-OD2 2.98Å; R245-D268 PolarHBondContact NH1-OD2 3.44Å; R245-D268 PolarHBondContact O-N 3.36Å; D268-N270 PolarHBondContact O-N 2.87Å; D268-T316 HydrophobicContact CB-CG2 4.02Å; D268-G317 PolarHBondContact OD1-N 2.65Å
269N95.2Very high95.7Very high0 Ų035.6 Ų35.60%018%0.181CC..EExtended strand (participates in β ladder)trans-96.683.6-179.5-171.614.2000111.1L244 S271 K273 I311 L312 S314 Q315L244-N269 HydrophobicContact CD1-CB 3.75Å; N269-S271 PolarHBondContact O-N 3.15Å; N269-S271 WeakPolarHBondContact OD1-CB 3.23Å; N269-S271 PolarHBondContact OD1-N 2.76Å; N269-S271 PolarHBondContact OD1-OG 2.92Å; N269-K273 PolarHBondContact ND2-O 2.77Å; N269-I311 HydrophobicContact CB-CG2 3.97Å; N269-L312 PolarHBondContact ND2-O 2.57Å; N269-S314 CarbonylContact O-C 3.48Å; N269-S314 WeakPolarHBondContact O-CA 3.17Å; N269-S314 PolarHBondContact O-N 3.43Å; N269-Q315 WeakPolarHBondContact CB-O 3.37Å; N269-Q315 PolarHBondContact N-O 2.92Å; N269-Q315 PolarHBondContact O-N 2.95Å
270N94.1Very high95.8Very high85 Ų8533.4 Ų33.446%0.45517%0.171SC..  trans-86.614.7170.6-64.3-59.1000112.4G242 T243 D268 T316G242-N270 VanDerWaalsContact CA-O 3.23Å; G242-N270 WeakPolarHBondContact CA-O 3.38Å; T243-N270 PolarHBondContact N-O 3.4Å; T243-N270 CarbonylContact O-C 3.4Å; T243-N270 VanDerWaalsContact O-C 3.28Å; T243-N270 VanDerWaalsContact O-CA 3.3Å; T243-N270 WeakPolarHBondContact O-CA 3.4Å; T243-N270 WeakPolarHBondContact O-CB 3.39Å; T243-N270 PolarHBondContact O-N 2.79Å; D268-N270 PolarHBondContact O-N 2.87Å; N270-T316 VanDerWaalsContact OD1-CG2 3.24Å; N270-T316 WeakPolarHBondContact OD1-CG2 3.36Å
271S91.6Very high95.8Very high3 Ų331.7 Ų31.72%0.02116%0.159CC..SBendtrans-99.1168.5179.484.70000111.5T243 N269 K273 P313T243-S271 PolarHBondContact O-N 2.85Å; N269-S271 PolarHBondContact O-N 3.15Å; N269-S271 WeakPolarHBondContact OD1-CB 3.23Å; N269-S271 PolarHBondContact OD1-N 2.76Å; N269-S271 PolarHBondContact OD1-OG 2.92Å; S271-K273 VanDerWaalsContact C-N 3.26Å; S271-K273 PolarHBondContact O-N 2.72Å; S271-K273 WeakPolarHBondContact OG-CB 3.4Å; S271-K273 PolarHBondContact OG-N 3.48Å; S271-K273 VanDerWaalsContact OG-N 3.08Å; S271-P313 WeakPolarHBondContact O-CA 3.43Å; S271-P313 WeakPolarHBondContact O-CB 3.47Å
272N90Very high95.8Very high81 Ų8131.7 Ų31.743%0.43316%0.159SC..SBendtrans-85.18.3169.773.21.3000113.9S240S240-N272 WeakPolarHBondContact CB-OD1 3.44Å; S240-N272 VanDerWaalsContact OG-CG 3.28Å; S240-N272 PolarHBondContact OG-ND2 3.05Å; S240-N272 PolarHBondContact OG-OD1 3.1Å
273K91.4Very high95.8Very high44 Ų4432.4 Ų32.419%0.19116%0.158CC..PPolyproline II helixtrans-93154.8179-56.3-54.8-165.9-169.70110.6F237 S240 N269 S271 L379 S383F237-K273 HydrophobicContact CD1-CG 4.26Å; F237-K273 HydrophobicContact CD2-CG 4.13Å; F237-K273 HydrophobicContact CE1-CG 4.21Å; F237-K273 HydrophobicContact CE2-CG 4.07Å; F237-K273 HydrophobicContact CG-CG 4.24Å; F237-K273 HydrophobicContact CZ-CG 4.13Å; S240-K273 WeakPolarHBondContact OG-CE 3.44Å; S240-K273 PolarHBondContact OG-NZ 2.71Å; N269-K273 PolarHBondContact ND2-O 2.77Å; S271-K273 VanDerWaalsContact C-N 3.26Å; S271-K273 PolarHBondContact O-N 2.72Å; S271-K273 WeakPolarHBondContact OG-CB 3.4Å; S271-K273 PolarHBondContact OG-N 3.48Å; S271-K273 VanDerWaalsContact OG-N 3.08Å; K273-L379 HydrophobicContact CB-CD2 3.88Å; K273-L379 HydrophobicContact CG-CD2 4.32Å; K273-S383 WeakPolarHBondContact CD-OG 3.43Å; K273-S383 VanDerWaalsContact CE-OG 3.24Å; K273-S383 WeakPolarHBondContact CE-OG 3.14Å
274T92.1Very high95.8Very high48 Ų4832.4 Ų32.429%0.29416%0.158SC..PPolyproline II helixtrans-104129.5175.5-550000109.7P310 L312 L379T274-P310 HydrophobicContact CG2-CB 3.36Å; T274-P310 HydrophobicContact CG2-CG 4.33Å; T274-L312 HydrophobicContact CG2-CD2 4.27Å; T274-L379 WeakPolarHBondContact O-CA 3.31Å
275V94.8Very high95.8Very high0 Ų032.4 Ų32.40%016%0.155CC..BIsolated β-bridgetrans-85.3120.2169.6-170.40000107.9L244 F309 P310 I311 L377 L379L244-V275 HydrophobicContact CD1-CG2 4.15Å; L244-V275 HydrophobicContact CD2-CG2 3.95Å; V275-F309 HydrophobicContact CB-CD1 4.22Å; V275-F309 HydrophobicContact CB-CE1 4.16Å; V275-F309 HydrophobicContact CG1-CD1 3.88Å; V275-F309 HydrophobicContact CG1-CE1 3.55Å; V275-F309 WeakPolarHBondContact O-CD1 3.31Å; V275-P310 CarbonylContact O-C 3.56Å; V275-P310 WeakPolarHBondContact O-CA 3.44Å; V275-P310 WeakPolarHBondContact O-CB 3.03Å; V275-I311 HydrophobicContact CB-CB 4.06Å; V275-I311 HydrophobicContact CG2-CB 4.34Å; V275-I311 PolarHBondContact N-O 3.4Å; V275-I311 PolarHBondContact O-N 3.48Å; V275-L377 HydrophobicContact CG1-CB 3.8Å; V275-L377 HydrophobicContact CG1-CD1 4.44Å; V275-L377 HydrophobicContact CG1-CD2 4.12Å; V275-L377 HydrophobicContact CG1-CG 4.33Å; V275-L377 HydrophobicContact CG2-CD1 4.48Å; V275-L379 HydrophobicContact CG2-CD1 4.48Å; V275-L379 HydrophobicContact CG2-CG 4.44Å
276K94.7Very high95.7Very high110 Ų11032.5 Ų32.548%0.47816%0.155SC..  trans-90.4-34.9-172.5-63.4-171177.2-1680114F309 V378K276-F309 WeakPolarHBondContact O-CB 3.5Å; K276-V378 PolarHBondContact N-O 3.36Å
277K95.6Very high95.5Very high71 Ų7132.8 Ų32.831%0.30916%0.156SC..EExtended strand (participates in β ladder)trans-161165.2-178.860.3179.9177.2179.90111E304 D306 V378K277-E304 HydrophobicContact CD-CG 4.37Å; K277-E304 WeakPolarHBondContact CD-OE1 3.34Å; K277-E304 VanDerWaalsContact CE-OE1 3.25Å; K277-E304 WeakPolarHBondContact CE-OE1 3.44Å; K277-E304 IonicContact NZ-OE1 3.84Å; K277-E304 PolarHBondContact NZ-OE1 3.31Å; K277-D306 HydrophobicContact CB-CB 4.16Å; K277-V378 HydrophobicContact CG-CB 3.64Å; K277-V378 HydrophobicContact CG-CG1 4.21Å; K277-V378 HydrophobicContact CG-CG2 3.92Å; K277-V378 PolarHBondContact O-N 3.39Å
278I97.1Very high95.1Very high0 Ų032.8 Ų32.80%016%0.156CC..EExtended strand (participates in β ladder)trans-118.9143.1173.6-171.8168000110.6V265 L280 T305 F309 W318 Y322 V375 L377V265-I278 HydrophobicContact CB-CD1 4.39Å; V265-I278 HydrophobicContact CG1-CD1 3.88Å; V265-I278 HydrophobicContact CG2-CD1 4.22Å; I278-L280 HydrophobicContact CD1-CD1 4.2Å; I278-L280 HydrophobicContact CG1-CD1 3.97Å; I278-L280 HydrophobicContact CG1-CG 4.41Å; I278-L280 HydrophobicContact CG2-CD1 4.21Å; I278-T305 HydrophobicContact CG2-CG2 3.65Å; I278-T305 WeakPolarHBondContact CG2-O 3.1Å; I278-T305 PolarHBondContact N-O 2.69Å; I278-T305 PolarHBondContact O-N 2.88Å; I278-F309 HydrophobicContact CB-CE1 4.36Å; I278-F309 HydrophobicContact CB-CE2 3.8Å; I278-F309 HydrophobicContact CB-CZ 3.55Å; I278-F309 HydrophobicContact CG2-CD2 4.33Å; I278-F309 HydrophobicContact CG2-CE2 3.37Å; I278-F309 HydrophobicContact CG2-CZ 3.68Å; I278-W318 HydrophobicContact CD1-CH2 4.46Å; I278-Y322 HydrophobicContact CD1-CE2 3.98Å; I278-Y322 HydrophobicContact CG2-CE1 4.48Å; I278-V375 HydrophobicContact CD1-CG1 3.81Å; I278-V375 HydrophobicContact CG1-CG1 4.08Å; I278-L377 HydrophobicContact CB-CD2 4.23Å; I278-L377 HydrophobicContact CD1-CD2 3.93Å; I278-L377 HydrophobicContact CG1-CD2 3.95Å
279K97.6Very high94.6Very high52 Ų5232.3 Ų32.323%0.22615%0.154CC..EExtended strand (participates in β ladder)trans-127.1121.3175.4-176.4-179.2-173105.10109.1E302 L303 E304 R376K279-E302 WeakPolarHBondContact CE-OE1 3.2Å; K279-E302 IonicContact NZ-OE1 2.83Å; K279-E302 PolarHBondContact NZ-OE1 3.18Å; K279-L303 WeakPolarHBondContact CA-O 3.4Å; K279-E304 HydrophobicContact CB-CG 4.35Å; K279-E304 HydrophobicContact CG-CB 4.46Å; K279-E304 HydrophobicContact CG-CG 4.48Å; K279-E304 IonicContact NZ-OE2 3.65Å; K279-E304 PolarHBondContact NZ-OE2 2.85Å; K279-R376 HydrophobicContact CB-CB 4.41Å; K279-R376 PolarHBondContact N-O 2.54Å; K279-R376 PolarHBondContact O-N 3.15Å
280L98.2Very high94Very high0 Ų033.1 Ų33.10%016%0.158CC..EExtended strand (participates in β ladder)trans-110.8139.2175.4-5694.8000108.8I263 V265 I278 E302 L303 Y322 L324 K374 V375I263-L280 HydrophobicContact CB-CD2 4.21Å; I263-L280 HydrophobicContact CD1-CD2 3.92Å; I263-L280 HydrophobicContact CG2-CD2 4Å; V265-L280 HydrophobicContact CG2-CD2 4.36Å; I278-L280 HydrophobicContact CD1-CD1 4.2Å; I278-L280 HydrophobicContact CG1-CD1 3.97Å; I278-L280 HydrophobicContact CG1-CG 4.41Å; I278-L280 HydrophobicContact CG2-CD1 4.21Å; L280-E302 WeakPolarHBondContact O-CA 3.37Å; L280-L303 HydrophobicContact CD1-CD2 4.44Å; L280-L303 PolarHBondContact N-O 3.35Å; L280-L303 PolarHBondContact O-N 2.92Å; L280-Y322 HydrophobicContact CD1-CD1 3.94Å; L280-Y322 HydrophobicContact CD1-CD2 4.07Å; L280-Y322 HydrophobicContact CD1-CE1 4.26Å; L280-Y322 HydrophobicContact CD1-CE2 4.37Å; L280-Y322 HydrophobicContact CD1-CG 3.83Å; L280-Y322 HydrophobicContact CD2-CD2 3.74Å; L280-Y322 HydrophobicContact CD2-CG 3.7Å; L280-Y322 HydrophobicContact CG-CG 4.46Å; L280-L324 HydrophobicContact CB-CD1 3.89Å; L280-K374 CarbonylContact C-O 3.52Å; L280-K374 WeakPolarHBondContact CA-O 3.42Å; L280-V375 HydrophobicContact CD2-CG2 4.11Å; L280-V375 HydrophobicContact CG-CG2 4.34Å
281S98.3Very high92.9Very high10 Ų1034.3 Ų34.37%0.0716%0.161CC..EExtended strand (participates in β ladder)trans-146.7140.3175.956.10000111.4D301 V373 K374S281-D301 CarbonylContact C-O 3.59Å; S281-D301 VanDerWaalsContact CA-O 3.27Å; S281-D301 WeakPolarHBondContact CA-O 3.43Å; S281-V373 CarbonylContact O-C 3.56Å; S281-V373 WeakPolarHBondContact O-CA 3.4Å; S281-K374 PolarHBondContact N-O 2.73Å; S281-K374 PolarHBondContact O-N 3.15Å
282V98.5Very high92.1Very high0 Ų036.2 Ų36.20%017%0.171CC..EExtended strand (participates in β ladder)trans-93.4125.8165.8-175.70000107.5I261 V299 V300 D301 L324 P326 Y371 V373 F392I261-V282 HydrophobicContact CD1-CG2 4.15Å; V282-V299 CarbonylContact O-C 3.51Å; V282-V299 WeakPolarHBondContact O-CA 3.27Å; V282-V300 HydrophobicContact CB-CG2 3.71Å; V282-V300 HydrophobicContact CG1-CG2 3.39Å; V282-V300 WeakPolarHBondContact O-CG2 3.48Å; V282-V300 PolarHBondContact O-N 3.34Å; V282-D301 HydrophobicContact CB-CB 4.21Å; V282-D301 HydrophobicContact CG2-CB 4.17Å; V282-D301 PolarHBondContact N-O 2.9Å; V282-D301 PolarHBondContact O-N 3.12Å; V282-L324 HydrophobicContact CG2-CB 3.86Å; V282-L324 HydrophobicContact CG2-CD1 3.7Å; V282-L324 HydrophobicContact CG2-CG 4.43Å; V282-P326 HydrophobicContact CG1-CB 4.23Å; V282-Y371 HydrophobicContact CG1-CD1 4.37Å; V282-V373 HydrophobicContact CG2-CG2 4.47Å; V282-F392 HydrophobicContact CG1-CE1 3.82Å; V282-F392 HydrophobicContact CG1-CZ 3.56Å
283R98.1Very high91.7Very high59 Ų5937.2 Ų37.222%0.22318%0.176CC..EExtended strand (participates in β ladder)trans-120.4130.4-177.4-51.9-172.886.1-170.310110.6Y285 N297 C298 V299 Y371 R372R283-Y285 HydrophobicContact CB-CD2 4.41Å; R283-Y285 HydrophobicContact CB-CE2 3.8Å; R283-N297 VanDerWaalsContact CZ-OD1 3.25Å; R283-N297 PolarHBondContact NE-OD1 2.77Å; R283-N297 VanDerWaalsContact NE-OD1 3.12Å; R283-N297 PolarHBondContact NH1-ND2 2.95Å; R283-N297 PolarHBondContact NH2-ND2 3.3Å; R283-N297 PolarHBondContact NH2-OD1 3.43Å; R283-C298 CarbonylContact C-O 3.6Å; R283-C298 WeakPolarHBondContact CA-O 3.32Å; R283-V299 HydrophobicContact CG-CG2 4.32Å; R283-Y371 WeakPolarHBondContact O-CA 3.47Å; R283-R372 PolarHBondContact N-O 3.3Å; R283-R372 PolarHBondContact O-N 3.23Å
284Q98.4Very high91.4Very high0 Ų038.3 Ų38.30%018%0.184CC..EExtended strand (participates in β ladder)trans-92.4122.7169.1-172.4-165.580.900109T286 N297 C298 V300 L337 A338 V369 Y371Q284-T286 PolarHBondContact OE1-OG1 3Å; Q284-N297 WeakPolarHBondContact O-CA 2.81Å; Q284-C298 PolarHBondContact N-O 2.86Å; Q284-C298 PolarHBondContact O-N 2.87Å; Q284-V300 HydrophobicContact CB-CG1 3.87Å; Q284-L337 HydrophobicContact CB-CD1 4.46Å; Q284-A338 PolarHBondContact NE2-O 3.37Å; Q284-V369 HydrophobicContact CG-CG1 3.74Å; Q284-Y371 HydrophobicContact CB-CD1 4.04Å; Q284-Y371 HydrophobicContact CB-CE1 3.65Å; Q284-Y371 HydrophobicContact CG-CD1 4.33Å; Q284-Y371 HydrophobicContact CG-CE1 3.72Å; Q284-Y371 HydrophobicContact CG-CE2 4.39Å; Q284-Y371 PolarHBondContact NE2-OH 3.17Å
285Y97.3Very high91.4Very high52 Ų5245.3 Ų45.320%0.20421%0.205CC..EExtended strand (participates in β ladder)trans-105116.8172.4-66.7-92.1000108.5R283 Y296 N297 V369 Q370 R372 E389R283-Y285 HydrophobicContact CB-CD2 4.41Å; R283-Y285 HydrophobicContact CB-CE2 3.8Å; Y285-Y296 WeakPolarHBondContact CA-O 2.88Å; Y285-N297 HydrophobicContact CD1-CB 4.37Å; Y285-N297 HydrophobicContact CE1-CB 4.41Å; Y285-N297 WeakPolarHBondContact CE1-ND2 3.39Å; Y285-V369 CarbonylContact O-C 3.53Å; Y285-V369 WeakPolarHBondContact O-CA 3.42Å; Y285-Q370 PolarHBondContact N-O 3.34Å; Y285-Q370 PolarHBondContact O-N 3.43Å; Y285-R372 HydrophobicContact CD2-CB 4.5Å; Y285-R372 HydrophobicContact CD2-CG 4.05Å; Y285-R372 HydrophobicContact CE2-CB 3.94Å; Y285-R372 HydrophobicContact CE2-CG 3.8Å; Y285-E389 PolarHBondContact OH-OE1 3.04Å; Y285-E389 PolarHBondContact OH-OE2 2.89Å
286T95.4Very high91.3Very high2 Ų248.2 Ų48.21%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-117.5126.8179.3-59.40000109.2L176 Q284 R295 Y296 A338 M367 T368 V369L176-T286 HydrophobicContact CD2-CG2 3.88Å; Q284-T286 PolarHBondContact OE1-OG1 3Å; T286-R295 CarbonylContact O-C 3.6Å; T286-R295 WeakPolarHBondContact O-CA 3.29Å; T286-Y296 PolarHBondContact N-O 3.4Å; T286-Y296 PolarHBondContact O-N 2.85Å; T286-A338 HydrophobicContact CG2-CB 4.05Å; T286-A338 WeakPolarHBondContact OG1-CB 3.38Å; T286-M367 HydrophobicContact CG2-CE 4.44Å; T286-M367 HydrophobicContact CG2-CG 3.51Å; T286-M367 HydrophobicContact CG2-SD 3.24Å; T286-M367 WeakPolarHBondContact CG2-SD 3.44Å; T286-T368 CarbonylContact C-O 3.54Å; T286-T368 WeakPolarHBondContact CA-O 3.42Å; T286-V369 HydrophobicContact CG2-CG2 4.23Å
287Q92.6Very high91.4Very high45 Ų4546 Ų4621%0.2121%0.21CC..EExtended strand (participates in β ladder)trans-120126.6176.9175178.57.100109.2R295 M367 T368Q287-R295 HydrophobicContact CB-CG 4.35Å; Q287-R295 HydrophobicContact CG-CG 4.22Å; Q287-M367 WeakPolarHBondContact O-CA 3.39Å; Q287-T368 PolarHBondContact N-O 3.22Å; Q287-T368 PolarHBondContact O-N 2.77Å; Q287-T368 PolarHBondContact O-OG1 3.36Å
288L90.4Very high91.4Very high0 Ų043.2 Ų43.20%020%0.2CC..EExtended strand (participates in β ladder)trans-73.2132.4167.5-63.3-175.3000108.8F69 Y71 L176 N292 N293 N294 Y296 M367F69-L288 HydrophobicContact CE2-CD2 4.19Å; F69-L288 HydrophobicContact CZ-CD2 4.15Å; Y71-L288 HydrophobicContact CD2-CD1 3.89Å; Y71-L288 HydrophobicContact CE2-CD1 3.73Å; L176-L288 HydrophobicContact CD1-CD1 4.39Å; L176-L288 HydrophobicContact CD1-CD2 3.77Å; L176-L288 HydrophobicContact CD1-CG 4.32Å; L288-N292 WeakPolarHBondContact CD1-OD1 3.21Å; L288-N293 VanDerWaalsContact O-CA 3.31Å; L288-N293 WeakPolarHBondContact O-CA 3.4Å; L288-N293 PolarHBondContact O-OD1 3.24Å; L288-N294 HydrophobicContact CD1-CB 4.29Å; L288-N294 PolarHBondContact N-O 2.92Å; L288-Y296 HydrophobicContact CD1-CE2 4.21Å; L288-Y296 HydrophobicContact CG-CE2 4.3Å; L288-M367 HydrophobicContact CD2-CB 4.18Å; L288-M367 HydrophobicContact CD2-CG 3.94Å; L288-M367 HydrophobicContact CD2-SD 3.53Å; L288-M367 VanDerWaalsContact CD2-SD 3.53Å
289C85.8Confident91.4Very high17 Ų1744.7 Ų44.712%0.11521%0.209CC..  trans-99.4-14177.5-58.30000112.1G366C289-G366 PolarHBondContact N-O 3.07Å
290L80.8Confident91.4Very high16 Ų1642.3 Ų42.38%0.08420%0.198CC..SBendtrans-115.8153.7178-66.5172.9000110.9F69 F83 K85 L87 N292 E363F69-L290 HydrophobicContact CB-CD1 3.78Å; F69-L290 HydrophobicContact CD1-CB 3.88Å; F69-L290 HydrophobicContact CD1-CD1 3.86Å; F69-L290 HydrophobicContact CD2-CD1 4.41Å; F69-L290 HydrophobicContact CE1-CB 3.75Å; F69-L290 HydrophobicContact CG-CB 4.43Å; F69-L290 HydrophobicContact CG-CD1 3.76Å; F69-L290 HydrophobicContact CZ-CB 4.23Å; F83-L290 HydrophobicContact CE1-CB 4.11Å; K85-L290 HydrophobicContact CB-CD1 4.4Å; K85-L290 HydrophobicContact CD-CD1 3.92Å; K85-L290 HydrophobicContact CD-CD2 4Å; L87-L290 HydrophobicContact CD2-CD1 3.97Å; L290-N292 VanDerWaalsContact C-N 3.34Å; L290-N292 PolarHBondContact O-N 2.87Å; L290-E363 VanDerWaalsContact CD2-O 3.28Å; L290-E363 WeakPolarHBondContact CD2-O 3.44Å; L290-E363 WeakPolarHBondContact CG-O 3.45Å
291H72.4Confident91.4Very high111 Ų11143.8 Ų43.851%0.51421%0.206SC..SBendtrans69.8-57.9176-169.373.8000117.1Y71 F83Y71-H291 AromaticContact CD1-CD2 3.4Å; Y71-H291 WeakPolarHBondContact CD1-CD2 3.38Å; Y71-H291 AromaticContact CD1-NE2 3.76Å; Y71-H291 AromaticContact CE1-CD2 3.44Å; Y71-H291 VanDerWaalsContact CE1-CD2 3.44Å; Y71-H291 WeakPolarHBondContact CE1-CD2 3.5Å; Y71-H291 AromaticContact CE1-NE2 3.68Å; F83-H291 HydrophobicContact CD1-CB 4.13Å; F83-H291 HydrophobicContact CG-CB 4.28Å; F83-H291 AromaticContact CG-ND1 3.93Å
292N73.8Confident91.3Very high43 Ų4347.5 Ų47.523%0.2322%0.222CC..SBendtrans-139.72.1-168.761.517000116.7Y71 L288 L290 N294Y71-N292 WeakPolarHBondContact CE2-ND2 3.41Å; Y71-N292 PolarHBondContact OH-ND2 2.87Å; L288-N292 WeakPolarHBondContact CD1-OD1 3.21Å; L290-N292 VanDerWaalsContact C-N 3.34Å; L290-N292 PolarHBondContact O-N 2.87Å; N292-N294 PolarHBondContact ND2-ND2 3.39Å; N292-N294 PolarHBondContact O-N 2.74Å; N292-N294 PolarHBondContact O-OD1 3.04Å; N292-N294 WeakPolarHBondContact OD1-CB 3.45Å; N292-N294 PolarHBondContact OD1-N 2.92Å
293N81.9Confident91.3Very high102 Ų10250.5 Ų50.555%0.54524%0.238SC..  trans51.221.5-178.7-74.6-21.1000115L288L288-N293 VanDerWaalsContact O-CA 3.31Å; L288-N293 WeakPolarHBondContact O-CA 3.4Å; L288-N293 PolarHBondContact O-OD1 3.24Å
294N86.4Confident91.2Very high66 Ų6651.8 Ų51.835%0.35325%0.246SC..  trans-63146-178.4-75.6-1.6000110.8L288 N292 Y296L288-N294 HydrophobicContact CD1-CB 4.29Å; L288-N294 PolarHBondContact N-O 2.92Å; N292-N294 PolarHBondContact ND2-ND2 3.39Å; N292-N294 PolarHBondContact O-N 2.74Å; N292-N294 PolarHBondContact O-OD1 3.04Å; N292-N294 WeakPolarHBondContact OD1-CB 3.45Å; N292-N294 PolarHBondContact OD1-N 2.92Å; N294-Y296 HydrophobicContact CB-CE2 4.21Å
295R92Very high91.1Very high196 Ų19652.6 Ų52.674%0.7425%0.251SS*.EExtended strand (participates in β ladder)trans-119.3134.3179.4-59.9-179.1-175.5179.71.2110T286 Q287T286-R295 CarbonylContact O-C 3.6Å; T286-R295 WeakPolarHBondContact O-CA 3.29Å; Q287-R295 HydrophobicContact CB-CG 4.35Å; Q287-R295 HydrophobicContact CG-CG 4.22Å
296Y93Very high90.9Very high60 Ų6055.5 Ų55.524%0.23527%0.27CS..EExtended strand (participates in β ladder)trans-116141.5174.3-59-89.8000109.1L176 Y285 T286 L288 N294 G336L176-Y296 HydrophobicContact CD1-CD2 3.97Å; L176-Y296 HydrophobicContact CD1-CE2 3.59Å; L176-Y296 HydrophobicContact CD2-CD2 4.18Å; L176-Y296 HydrophobicContact CD2-CG 4.47Å; Y285-Y296 WeakPolarHBondContact CA-O 2.88Å; T286-Y296 PolarHBondContact N-O 3.4Å; T286-Y296 PolarHBondContact O-N 2.85Å; L288-Y296 HydrophobicContact CD1-CE2 4.21Å; L288-Y296 HydrophobicContact CG-CE2 4.3Å; N294-Y296 HydrophobicContact CB-CE2 4.21Å; Y296-G336 WeakPolarHBondContact CB-O 3.48Å
297N94.9Very high90.5Very high64 Ų6461.3 Ų61.334%0.34230%0.297SS..EExtended strand (participates in β ladder)trans-132.9109.1177-176.8-22.4000108.5R283 Q284 Y285R283-N297 VanDerWaalsContact CZ-OD1 3.25Å; R283-N297 PolarHBondContact NE-OD1 2.77Å; R283-N297 VanDerWaalsContact NE-OD1 3.12Å; R283-N297 PolarHBondContact NH1-ND2 2.95Å; R283-N297 PolarHBondContact NH2-ND2 3.3Å; R283-N297 PolarHBondContact NH2-OD1 3.43Å; Q284-N297 WeakPolarHBondContact O-CA 2.81Å; Y285-N297 HydrophobicContact CD1-CB 4.37Å; Y285-N297 HydrophobicContact CE1-CB 4.41Å; Y285-N297 WeakPolarHBondContact CE1-ND2 3.39Å
298C96.5Very high90.2Very high13 Ų1362.9 Ų62.99%0.08831%0.314CS..EExtended strand (participates in β ladder)trans-117.1127.7-178.6-630000109.1R283 Q284 V300 R335 G336 L337R283-C298 CarbonylContact C-O 3.6Å; R283-C298 WeakPolarHBondContact CA-O 3.32Å; Q284-C298 PolarHBondContact N-O 2.86Å; Q284-C298 PolarHBondContact O-N 2.87Å; C298-V300 PolarHBondContact O-N 2.84Å; C298-R335 PolarHBondContact SG-O 3.41Å; C298-G336 VanDerWaalsContact SG-C 3.57Å; C298-L337 HydrophobicContact CB-CD1 3.79Å
299V97.4Very high90.2Very high31 Ų3164.1 Ų64.119%0.18832%0.319CS..EExtended strand (participates in β ladder)trans-70.5128.4164.8-178.40000107.2V282 R283 D301 E302 N331 K334V282-V299 CarbonylContact O-C 3.51Å; V282-V299 WeakPolarHBondContact O-CA 3.27Å; R283-V299 HydrophobicContact CG-CG2 4.32Å; V299-D301 WeakPolarHBondContact CG1-O 3.29Å; V299-E302 HydrophobicContact CG1-CB 3.94Å; V299-N331 PolarHBondContact O-OD1 3.35Å; V299-K334 WeakPolarHBondContact O-CD 3.43Å; V299-K334 PolarHBondContact O-NZ 2.95Å
300V97.5Very high90.5Very high1 Ų166.7 Ų66.71%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-109.6-16.1179.5-62.90000112.9V282 Q284 C298 P326 N331 L337 L350 Y371V282-V300 HydrophobicContact CB-CG2 3.71Å; V282-V300 HydrophobicContact CG1-CG2 3.39Å; V282-V300 WeakPolarHBondContact O-CG2 3.48Å; V282-V300 PolarHBondContact O-N 3.34Å; Q284-V300 HydrophobicContact CB-CG1 3.87Å; C298-V300 PolarHBondContact O-N 2.84Å; V300-P326 HydrophobicContact CB-CB 4.41Å; V300-P326 HydrophobicContact CG2-CB 3.75Å; V300-N331 PolarHBondContact O-ND2 2.85Å; V300-N331 PolarHBondContact O-OD1 2.74Å; V300-L337 HydrophobicContact CG1-CD1 3.48Å; V300-L337 VanDerWaalsContact CG1-CD1 3.48Å; V300-L350 HydrophobicContact CB-CD1 4.18Å; V300-L350 HydrophobicContact CG1-CD1 4.35Å; V300-L350 HydrophobicContact CG1-CD2 4.25Å; V300-L350 HydrophobicContact CG2-CD1 4.47Å; V300-Y371 HydrophobicContact CG2-CD1 4.41Å; V300-Y371 HydrophobicContact CG2-CE1 4.28Å
301D97.8Very high91.2Very high32 Ų3266 Ų6617%0.17133%0.332CS..EExtended strand (participates in β ladder)trans-156.9150.2166.6-162.118.2000109.5S281 V282 V299 L324 R325S281-D301 CarbonylContact C-O 3.59Å; S281-D301 VanDerWaalsContact CA-O 3.27Å; S281-D301 WeakPolarHBondContact CA-O 3.43Å; V282-D301 HydrophobicContact CB-CB 4.21Å; V282-D301 HydrophobicContact CG2-CB 4.17Å; V282-D301 PolarHBondContact N-O 2.9Å; V282-D301 PolarHBondContact O-N 3.12Å; V299-D301 WeakPolarHBondContact CG1-O 3.29Å; D301-L324 WeakPolarHBondContact OD2-CA 3.49Å; D301-L324 WeakPolarHBondContact OD2-CB 3.39Å; D301-R325 PolarHBondContact OD2-N 2.78Å
302E97.3Very high92.2Very high88 Ų8865 Ų6541%0.41133%0.33SS..EExtended strand (participates in β ladder)trans-152.2137.1-173.7-166.1173.8153.800111.4K279 L280 V299K279-E302 WeakPolarHBondContact CE-OE1 3.2Å; K279-E302 IonicContact NZ-OE1 2.83Å; K279-E302 PolarHBondContact NZ-OE1 3.18Å; L280-E302 WeakPolarHBondContact O-CA 3.37Å; V299-E302 HydrophobicContact CG1-CB 3.94Å
303L97.2Very high93.1Very high63 Ų6365.6 Ų65.633%0.3334%0.336SS..EExtended strand (participates in β ladder)trans-134.3126.3173.9177.265.2000108.8K279 L280 Y322 L324K279-L303 WeakPolarHBondContact CA-O 3.4Å; L280-L303 HydrophobicContact CD1-CD2 4.44Å; L280-L303 PolarHBondContact N-O 3.35Å; L280-L303 PolarHBondContact O-N 2.92Å; L303-Y322 HydrophobicContact CD2-CD1 3.78Å; L303-L324 HydrophobicContact CB-CD2 3.58Å
304E96.9Very high93.6Very high85 Ų8565.3 Ų65.340%0.39734%0.342SS..EExtended strand (participates in β ladder)trans-122.7126.4173.4-171.6169.1149.900108.5K277 K279K277-E304 HydrophobicContact CD-CG 4.37Å; K277-E304 WeakPolarHBondContact CD-OE1 3.34Å; K277-E304 VanDerWaalsContact CE-OE1 3.25Å; K277-E304 WeakPolarHBondContact CE-OE1 3.44Å; K277-E304 IonicContact NZ-OE1 3.84Å; K277-E304 PolarHBondContact NZ-OE1 3.31Å; K279-E304 HydrophobicContact CB-CG 4.35Å; K279-E304 HydrophobicContact CG-CB 4.46Å; K279-E304 HydrophobicContact CG-CG 4.48Å; K279-E304 IonicContact NZ-OE2 3.65Å; K279-E304 PolarHBondContact NZ-OE2 2.85Å
305T96Very high93.9Very high17 Ų1766 Ų6610%0.10434%0.343CS..EExtended strand (participates in β ladder)trans-148.9146.2-176.1-177.90000111.4I278 E307 Y322I278-T305 HydrophobicContact CG2-CG2 3.65Å; I278-T305 WeakPolarHBondContact CG2-O 3.1Å; I278-T305 PolarHBondContact N-O 2.69Å; I278-T305 PolarHBondContact O-N 2.88Å; T305-E307 WeakPolarHBondContact OG1-CB 3.29Å; T305-E307 WeakPolarHBondContact OG1-CG 3.31Å; T305-E307 PolarHBondContact OG1-N 2.64Å; T305-Y322 HydrophobicContact CG2-CE1 3.69Å
306D93.4Very high94Very high113 Ų11360.2 Ų60.260%0.60433%0.33SS*.  trans-110.99.917055.7-1000111.6K277 S308 F309K277-D306 HydrophobicContact CB-CB 4.16Å; D306-S308 PolarHBondContact O-N 3.44Å; D306-F309 HydrophobicContact CB-CB 4.44Å; D306-F309 WeakPolarHBondContact O-CB 3.42Å; D306-F309 PolarHBondContact O-N 3.3Å
307E86.2Confident94Very high124 Ų12459.8 Ų59.858%0.57934%0.343SS*.THydrogen-bonded Turntrans-62.5124172.9-70.3-179.5-177.900110.6T305 F309 K320T305-E307 WeakPolarHBondContact OG1-CB 3.29Å; T305-E307 WeakPolarHBondContact OG1-CG 3.31Å; T305-E307 PolarHBondContact OG1-N 2.64Å; E307-F309 VanDerWaalsContact C-N 3.26Å; E307-F309 WeakPolarHBondContact O-CD2 3.45Å; E307-K320 IonicContact OE2-NZ 2.81Å; E307-K320 PolarHBondContact OE2-NZ 3.11Å
308S86.3Confident94.1Very high79 Ų7958 Ų5855%0.55233%0.332SS*.THydrogen-bonded Turntrans70.617.1-172.8-42.30000114.6D306 W318D306-S308 PolarHBondContact O-N 3.44Å; S308-W318 PolarHBondContact O-NE1 2.93Å
309F90.9Very high94Very high26 Ų2660.8 Ų60.811%0.11435%0.351CS..  trans-108.6155.3166.8-68.1-94.2000109.9V275 K276 I278 D306 E307 I311 W318V275-F309 HydrophobicContact CB-CD1 4.22Å; V275-F309 HydrophobicContact CB-CE1 4.16Å; V275-F309 HydrophobicContact CG1-CD1 3.88Å; V275-F309 HydrophobicContact CG1-CE1 3.55Å; V275-F309 WeakPolarHBondContact O-CD1 3.31Å; K276-F309 WeakPolarHBondContact O-CB 3.5Å; I278-F309 HydrophobicContact CB-CE1 4.36Å; I278-F309 HydrophobicContact CB-CE2 3.8Å; I278-F309 HydrophobicContact CB-CZ 3.55Å; I278-F309 HydrophobicContact CG2-CD2 4.33Å; I278-F309 HydrophobicContact CG2-CE2 3.37Å; I278-F309 HydrophobicContact CG2-CZ 3.68Å; D306-F309 HydrophobicContact CB-CB 4.44Å; D306-F309 WeakPolarHBondContact O-CB 3.42Å; D306-F309 PolarHBondContact O-N 3.3Å; E307-F309 VanDerWaalsContact C-N 3.26Å; E307-F309 WeakPolarHBondContact O-CD2 3.45Å; F309-I311 HydrophobicContact CD1-CD1 4.22Å; F309-I311 HydrophobicContact CD1-CG1 3.9Å; F309-I311 HydrophobicContact CE1-CD1 3.57Å; F309-I311 HydrophobicContact CE1-CG1 3.79Å; F309-I311 HydrophobicContact CZ-CD1 4.09Å; F309-W318 AromaticContact CE2-CH2 3.99Å; F309-W318 HydrophobicContact CE2-CH2 3.99Å; F309-W318 AromaticContact CE2-CZ2 3.68Å; F309-W318 HydrophobicContact CE2-CZ2 3.68Å; F309-W318 AromaticContact CZ-CH2 3.75Å; F309-W318 HydrophobicContact CZ-CH2 3.75Å; F309-W318 AromaticContact CZ-CZ2 3.73Å; F309-W318 HydrophobicContact CZ-CZ2 3.73Å; F309-W318 HydrophobicContact CZ-CZ3 4.48Å
310P92.9Very high94Very high71 Ų7161.7 Ų61.746%0.46135%0.352SS..  cis-77.2145.15.329.7-33.5000114.6T274 V275 L312T274-P310 HydrophobicContact CG2-CB 3.36Å; T274-P310 HydrophobicContact CG2-CG 4.33Å; V275-P310 CarbonylContact O-C 3.56Å; V275-P310 WeakPolarHBondContact O-CA 3.44Å; V275-P310 WeakPolarHBondContact O-CB 3.03Å; P310-L312 HydrophobicContact CB-CD2 4.36Å; P310-L312 HydrophobicContact CG-CD2 4.05Å; P310-L312 PolarHBondContact O-N 2.79Å
311I93.9Very high94Very high0 Ų065.5 Ų65.50%038%0.375CS..BIsolated β-bridgetrans-81.8112.7162.3-56.4173.7000106.7V267 N269 V275 F309 Q315 W318V267-I311 HydrophobicContact CB-CD1 3.86Å; V267-I311 HydrophobicContact CG1-CD1 3.85Å; V267-I311 HydrophobicContact CG2-CD1 4.15Å; N269-I311 HydrophobicContact CB-CG2 3.97Å; V275-I311 HydrophobicContact CB-CB 4.06Å; V275-I311 HydrophobicContact CG2-CB 4.34Å; V275-I311 PolarHBondContact N-O 3.4Å; V275-I311 PolarHBondContact O-N 3.48Å; F309-I311 HydrophobicContact CD1-CD1 4.22Å; F309-I311 HydrophobicContact CD1-CG1 3.9Å; F309-I311 HydrophobicContact CE1-CD1 3.57Å; F309-I311 HydrophobicContact CE1-CG1 3.79Å; F309-I311 HydrophobicContact CZ-CD1 4.09Å; I311-Q315 HydrophobicContact CG2-CB 3.99Å; I311-Q315 HydrophobicContact CG2-CG 4.27Å; I311-W318 HydrophobicContact CD1-CB 4.09Å; I311-W318 HydrophobicContact CD1-CD2 3.57Å; I311-W318 HydrophobicContact CD1-CE3 3.91Å; I311-W318 HydrophobicContact CD1-CG 3.65Å; I311-W318 HydrophobicContact CG1-CD2 4.35Å; I311-W318 HydrophobicContact CG1-CG 4.11Å
312L94.1Very high94Very high92 Ų9264.5 Ų64.548%0.48237%0.369SS..  trans-76.3162.1-174.4-65179.8000111.5N269 T274 P310 Q315N269-L312 PolarHBondContact ND2-O 2.57Å; T274-L312 HydrophobicContact CG2-CD2 4.27Å; P310-L312 HydrophobicContact CB-CD2 4.36Å; P310-L312 HydrophobicContact CG-CD2 4.05Å; P310-L312 PolarHBondContact O-N 2.79Å; L312-Q315 VanDerWaalsContact N-OE1 3.1Å; L312-Q315 WeakPolarHBondContact O-CB 3.43Å; L312-Q315 PolarHBondContact O-N 2.77Å
313P92.2Very high94Very high54 Ų5466.6 Ų66.635%0.35138%0.377SS..THydrogen-bonded Turntrans-49.6141.1168.4-31.739.5000112.8S271 Q315S271-P313 WeakPolarHBondContact O-CA 3.43Å; S271-P313 WeakPolarHBondContact O-CB 3.47Å; P313-Q315 PolarHBondContact O-N 3.49Å
314S91.9Very high94.1Very high96 Ų9663.9 Ų63.967%0.67136%0.363SS*.THydrogen-bonded Turntrans6313.4180-51.50000115.8N269N269-S314 CarbonylContact O-C 3.48Å; N269-S314 WeakPolarHBondContact O-CA 3.17Å; N269-S314 PolarHBondContact O-N 3.43Å
315Q93.4Very high94.1Very high80 Ų8065.8 Ų65.837%0.37437%0.366SS..  trans-89.3117.5173.2-170.7176.21.500110.2N269 I311 L312 P313N269-Q315 WeakPolarHBondContact CB-O 3.37Å; N269-Q315 PolarHBondContact N-O 2.92Å; N269-Q315 PolarHBondContact O-N 2.95Å; I311-Q315 HydrophobicContact CG2-CB 3.99Å; I311-Q315 HydrophobicContact CG2-CG 4.27Å; L312-Q315 VanDerWaalsContact N-OE1 3.1Å; L312-Q315 WeakPolarHBondContact O-CB 3.43Å; L312-Q315 PolarHBondContact O-N 2.77Å; P313-Q315 PolarHBondContact O-N 3.49Å
316T93.8Very high94.2Very high76 Ų7665.1 Ų65.147%0.46636%0.362SS..  trans-119.5163.1-178.959.20000111.9D268 N270 W318D268-T316 HydrophobicContact CB-CG2 4.02Å; N270-T316 VanDerWaalsContact OD1-CG2 3.24Å; N270-T316 WeakPolarHBondContact OD1-CG2 3.36Å; T316-W318 VanDerWaalsContact C-N 3.28Å; T316-W318 PolarHBondContact O-N 2.73Å
317G93.4Very high94.3Very high50 Ų5062.1 Ų62.152%0.51535%0.346SS..  trans72.216.2179.800000114.6D268 C319D268-G317 PolarHBondContact OD1-N 2.65Å; G317-C319 PolarHBondContact O-N 2.69Å
318W96Very high94.7Very high26 Ų2656.7 Ų56.710%0.09832%0.321CS..EExtended strand (participates in β ladder)trans-67.6126.1172.9-179.497.8000108.7V265 L266 V267 I278 S308 F309 I311 T316 K320 Y322V265-W318 HydrophobicContact CB-CZ3 4.2Å; V265-W318 HydrophobicContact CG1-CZ3 3.94Å; L266-W318 CarbonylContact C-O 3.28Å; L266-W318 VanDerWaalsContact CA-O 3.29Å; L266-W318 WeakPolarHBondContact CA-O 3.37Å; L266-W318 WeakPolarHBondContact CD1-O 3.48Å; V267-W318 HydrophobicContact CB-CB 4.47Å; V267-W318 HydrophobicContact CB-CE3 3.94Å; V267-W318 HydrophobicContact CG2-CE3 3.67Å; V267-W318 HydrophobicContact CG2-CZ3 3.89Å; V267-W318 PolarHBondContact N-O 3.11Å; V267-W318 PolarHBondContact O-N 3.16Å; I278-W318 HydrophobicContact CD1-CH2 4.46Å; S308-W318 PolarHBondContact O-NE1 2.93Å; F309-W318 AromaticContact CE2-CH2 3.99Å; F309-W318 HydrophobicContact CE2-CH2 3.99Å; F309-W318 AromaticContact CE2-CZ2 3.68Å; F309-W318 HydrophobicContact CE2-CZ2 3.68Å; F309-W318 AromaticContact CZ-CH2 3.75Å; F309-W318 HydrophobicContact CZ-CH2 3.75Å; F309-W318 AromaticContact CZ-CZ2 3.73Å; F309-W318 HydrophobicContact CZ-CZ2 3.73Å; F309-W318 HydrophobicContact CZ-CZ3 4.48Å; I311-W318 HydrophobicContact CD1-CB 4.09Å; I311-W318 HydrophobicContact CD1-CD2 3.57Å; I311-W318 HydrophobicContact CD1-CE3 3.91Å; I311-W318 HydrophobicContact CD1-CG 3.65Å; I311-W318 HydrophobicContact CG1-CD2 4.35Å; I311-W318 HydrophobicContact CG1-CG 4.11Å; T316-W318 VanDerWaalsContact C-N 3.28Å; T316-W318 PolarHBondContact O-N 2.73Å; W318-K320 HydrophobicContact CH2-CB 3.79Å; W318-K320 HydrophobicContact CZ2-CB 3.91Å; W318-K320 HydrophobicContact CZ2-CD 4.36Å; W318-K320 HydrophobicContact CZ3-CB 4.3Å; W318-Y322 HydrophobicContact CH2-CE2 4.01Å; W318-Y322 WeakPolarHBondContact CH2-OH 3.41Å
319C96.3Very high95.1Very high72 Ų7256.1 Ų56.149%0.48632%0.321SS..EExtended strand (participates in β ladder)trans-140.2132.6-176.7-173.80000110.1N264 V265 L266 G317N264-C319 PolarHBondContact OD1-SG 2.77Å; N264-C319 VanDerWaalsContact OD1-SG 3.34Å; V265-C319 VanDerWaalsContact O-CA 3.32Å; V265-C319 WeakPolarHBondContact O-CA 3.34Å; L266-C319 HydrophobicContact CD1-CB 3.89Å; G317-C319 PolarHBondContact O-N 2.69Å
320K96.8Very high95.2Very high51 Ų5159.4 Ų59.422%0.22234%0.34CS..EExtended strand (participates in β ladder)trans-149.9140.9173.3-173.5162.1169.6-176.10110.2V265 E307 W318 Y322V265-K320 PolarHBondContact N-O 3.34Å; V265-K320 PolarHBondContact O-N 2.58Å; E307-K320 IonicContact OE2-NZ 2.81Å; E307-K320 PolarHBondContact OE2-NZ 3.11Å; W318-K320 HydrophobicContact CH2-CB 3.79Å; W318-K320 HydrophobicContact CZ2-CB 3.91Å; W318-K320 HydrophobicContact CZ2-CD 4.36Å; W318-K320 HydrophobicContact CZ3-CB 4.3Å; K320-Y322 HydrophobicContact CB-CE2 3.93Å; K320-Y322 HydrophobicContact CD-CE1 4.11Å; K320-Y322 HydrophobicContact CD-CE2 4.38Å; K320-Y322 WeakPolarHBondContact CD-OH 3.49Å; K320-Y322 HydrophobicContact CG-CE1 4.29Å; K320-Y322 HydrophobicContact CG-CE2 3.95Å
321V97.4Very high95.3Very high81 Ų8156.1 Ų56.149%0.49132%0.318SS..EExtended strand (participates in β ladder)trans-98.1128.3174-177.90000109.2D262 I263 N264D262-V321 HydrophobicContact CB-CG1 4.17Å; I263-V321 CarbonylContact O-C 3.52Å; I263-V321 WeakPolarHBondContact O-CA 3.25Å; N264-V321 HydrophobicContact CB-CG2 4.35Å
322Y97.7Very high95.1Very high10 Ų1059.7 Ų59.74%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-110155.6176.3-65.4-83.6000110.5D262 I263 V265 I278 L280 L303 T305 W318 K320D262-Y322 WeakPolarHBondContact CA-O 3.43Å; I263-Y322 PolarHBondContact N-O 3.47Å; I263-Y322 PolarHBondContact O-N 2.8Å; V265-Y322 HydrophobicContact CB-CE2 4.4Å; V265-Y322 HydrophobicContact CG2-CD2 3.96Å; V265-Y322 HydrophobicContact CG2-CE2 4.24Å; I278-Y322 HydrophobicContact CD1-CE2 3.98Å; I278-Y322 HydrophobicContact CG2-CE1 4.48Å; L280-Y322 HydrophobicContact CD1-CD1 3.94Å; L280-Y322 HydrophobicContact CD1-CD2 4.07Å; L280-Y322 HydrophobicContact CD1-CE1 4.26Å; L280-Y322 HydrophobicContact CD1-CE2 4.37Å; L280-Y322 HydrophobicContact CD1-CG 3.83Å; L280-Y322 HydrophobicContact CD2-CD2 3.74Å; L280-Y322 HydrophobicContact CD2-CG 3.7Å; L280-Y322 HydrophobicContact CG-CG 4.46Å; L303-Y322 HydrophobicContact CD2-CD1 3.78Å; T305-Y322 HydrophobicContact CG2-CE1 3.69Å; W318-Y322 HydrophobicContact CH2-CE2 4.01Å; W318-Y322 WeakPolarHBondContact CH2-OH 3.41Å; K320-Y322 HydrophobicContact CB-CE2 3.93Å; K320-Y322 HydrophobicContact CD-CE1 4.11Å; K320-Y322 HydrophobicContact CD-CE2 4.38Å; K320-Y322 WeakPolarHBondContact CD-OH 3.49Å; K320-Y322 HydrophobicContact CG-CE1 4.29Å; K320-Y322 HydrophobicContact CG-CE2 3.95Å
323K97.7Very high94.8Very high133 Ų13362.3 Ų62.358%0.57834%0.341SS*.EExtended strand (participates in β ladder)trans-122.8127.3176.7-56.2-160.6175.1-154.80110.3I261 D262I261-K323 WeakPolarHBondContact O-CA 3.48Å; D262-K323 WeakPolarHBondContact OD1-CD 3.32Å; D262-K323 WeakPolarHBondContact OD1-CE 3.3Å; D262-K323 VanDerWaalsContact OD1-CG 3.27Å; D262-K323 WeakPolarHBondContact OD1-CG 3.4Å; D262-K323 IonicContact OD1-NZ 3.31Å; D262-K323 PolarHBondContact OD1-NZ 3.46Å; D262-K323 IonicContact OD2-NZ 3.73Å
324L98.1Very high94.7Very high6 Ų662.4 Ų62.43%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-121145170.8-68-177.3000109.3S260 I261 I263 L280 V282 D301 L303S260-L324 CarbonylContact C-O 3.56Å; S260-L324 WeakPolarHBondContact CA-O 3.34Å; I261-L324 PolarHBondContact N-O 3.03Å; I261-L324 PolarHBondContact O-N 2.79Å; I261-L324 VanDerWaalsContact O-N 3.08Å; I263-L324 HydrophobicContact CD1-CB 4.26Å; I263-L324 HydrophobicContact CD1-CD1 3.69Å; I263-L324 HydrophobicContact CD1-CG 3.87Å; L280-L324 HydrophobicContact CB-CD1 3.89Å; V282-L324 HydrophobicContact CG2-CB 3.86Å; V282-L324 HydrophobicContact CG2-CD1 3.7Å; V282-L324 HydrophobicContact CG2-CG 4.43Å; D301-L324 WeakPolarHBondContact OD2-CA 3.49Å; D301-L324 WeakPolarHBondContact OD2-CB 3.39Å; L303-L324 HydrophobicContact CB-CD2 3.58Å
325R97.8Very high94.6Very high124 Ų12464.6 Ų64.647%0.46833%0.33SS..  trans-131.694.4-179-165.9-179.2-176.2-176.81.9109.9G258 D301 L327G258-R325 PolarHBondContact O-NE 2.95Å; G258-R325 PolarHBondContact O-NH2 3.1Å; D301-R325 PolarHBondContact OD2-N 2.78Å; R325-L327 HydrophobicContact CG-CD1 4.33Å; R325-L327 HydrophobicContact CG-CD2 4.22Å; R325-L327 HydrophobicContact CG-CG 4.04Å; R325-L327 PolarHBondContact O-N 2.87Å
326P97.2Very high94.4Very high4 Ų461 Ų613%0.02631%0.313CS..  trans-69.2103-178.629.2-34.5000111.1I261 V282 V300 L350I261-P326 HydrophobicContact CD1-CG 4.06Å; V282-P326 HydrophobicContact CG1-CB 4.23Å; V300-P326 HydrophobicContact CB-CB 4.41Å; V300-P326 HydrophobicContact CG2-CB 3.75Å; P326-L350 HydrophobicContact CB-CD1 3.94Å
327L96.2Very high94.4Very high50 Ų5057.3 Ų57.326%0.26229%0.291SS..  trans-114.9135.9-179.3-66.5177.2000111.6R325 A329 N330 N331R325-L327 HydrophobicContact CG-CD1 4.33Å; R325-L327 HydrophobicContact CG-CD2 4.22Å; R325-L327 HydrophobicContact CG-CG 4.04Å; R325-L327 PolarHBondContact O-N 2.87Å; L327-A329 PolarHBondContact O-N 3.12Å; L327-N330 PolarHBondContact O-N 2.82Å; L327-N331 PolarHBondContact O-ND2 2.97Å
328L95.5Very high94.6Very high9 Ų955 Ų555%0.04727%0.267CS..G310 helixtrans-60.4-35.2173.1177.457.9000112N330 N331 R332 L337 L339 T348 L350L328-N330 PolarHBondContact O-N 2.67Å; L328-N330 VanDerWaalsContact O-N 3.12Å; L328-N331 CarbonylContact O-C 3.58Å; L328-N331 PolarHBondContact O-N 3.22Å; L328-R332 HydrophobicContact CD1-CG 4.5Å; L328-R332 HydrophobicContact CG-CG 4.35Å; L328-R332 WeakPolarHBondContact O-CG 3.48Å; L328-R332 PolarHBondContact O-N 3.48Å; L328-L337 HydrophobicContact CD1-CD2 4.09Å; L328-L339 HydrophobicContact CD1-CD2 3.37Å; L328-L339 HydrophobicContact CD2-CD2 4.14Å; L328-L339 HydrophobicContact CG-CD2 4.38Å; L328-T348 HydrophobicContact CD2-CG2 3.95Å; L328-T348 WeakPolarHBondContact CD2-O 3.27Å; L328-L350 HydrophobicContact CB-CD2 4.38Å; L328-L350 HydrophobicContact CB-CG 4.34Å; L328-L350 HydrophobicContact CD1-CD2 4.19Å
329A93.5Very high94.6Very high67 Ų6753.8 Ų53.855%0.55426%0.263SS*.G310 helixtrans-50.5-40.1-178.500000112.9L327 N331L327-A329 PolarHBondContact O-N 3.12Å; A329-N331 VanDerWaalsContact C-N 3.3Å; A329-N331 PolarHBondContact O-N 2.94Å
330N93.8Very high94.6Very high95 Ų9550.6 Ų50.651%0.50824%0.24SC..G310 helixtrans-80.9-8.8-178.5-61.2-10.1000113.5L327 L328 H333L327-N330 PolarHBondContact O-N 2.82Å; L328-N330 PolarHBondContact O-N 2.67Å; L328-N330 VanDerWaalsContact O-N 3.12Å; N330-H333 PolarHBondContact O-CE1 2.95Å
331N93.7Very high94.4Very high3 Ų348.5 Ų48.52%0.01623%0.233CC..G310 helixtrans-122.87.6-169.6-64.2-77.6000113.6V299 V300 L327 L328 A329 H333 K334 L337V299-N331 PolarHBondContact O-OD1 3.35Å; V300-N331 PolarHBondContact O-ND2 2.85Å; V300-N331 PolarHBondContact O-OD1 2.74Å; L327-N331 PolarHBondContact O-ND2 2.97Å; L328-N331 CarbonylContact O-C 3.58Å; L328-N331 PolarHBondContact O-N 3.22Å; A329-N331 VanDerWaalsContact C-N 3.3Å; A329-N331 PolarHBondContact O-N 2.94Å; N331-H333 PolarHBondContact O-N 3.33Å; N331-K334 HydrophobicContact CB-CD 4.16Å; N331-K334 WeakPolarHBondContact O-CB 3.37Å; N331-K334 PolarHBondContact O-N 3.17Å; N331-K334 WeakPolarHBondContact OD1-CD 3.28Å; N331-K334 VanDerWaalsContact OD1-CE 3.3Å; N331-K334 WeakPolarHBondContact OD1-CE 3.35Å; N331-K334 PolarHBondContact OD1-NZ 3.24Å; N331-L337 HydrophobicContact CB-CD2 3.72Å
332R90.5Very high94Very high74 Ų7449 Ų4928%0.27923%0.229SC..THydrogen-bonded Turntrans-60-18.2-177.6-66-173.3171.4-81.2-1.8114.8Q177 L328 L343 L498Q177-R332 PolarHBondContact NE2-O 3.17Å; L328-R332 HydrophobicContact CD1-CG 4.5Å; L328-R332 HydrophobicContact CG-CG 4.35Å; L328-R332 WeakPolarHBondContact O-CG 3.48Å; L328-R332 PolarHBondContact O-N 3.48Å; R332-L343 HydrophobicContact CB-CD1 4.15Å; R332-L343 HydrophobicContact CG-CD1 4.1Å; R332-L343 PolarHBondContact NH1-O 2.87Å; R332-L498 VanDerWaalsContact NH2-CD1 3.27Å
333H88.9Confident93.5Very high147 Ų14751.2 Ų51.268%0.68124%0.241SC*.THydrogen-bonded Turntrans-89.2-10.2178.461-88.9000113.3N330 N331N330-H333 PolarHBondContact O-CE1 2.95Å; N331-H333 PolarHBondContact O-N 3.33Å
334K89.8Confident93Very high57 Ų5749.8 Ų49.825%0.24824%0.235CC..  trans-81.3138.7-171.4-68.5-174.3175.31640112.4Q177 V299 N331Q177-K334 VanDerWaalsContact CG-O 3.25Å; Q177-K334 WeakPolarHBondContact CG-O 3.32Å; Q177-K334 PolarHBondContact NE2-O 2.91Å; Q177-K334 VanDerWaalsContact NE2-O 3.1Å; Q177-K334 PolarHBondContact OE1-O 3.29Å; Q177-K334 VanDerWaalsContact OE1-O 3.1Å; V299-K334 WeakPolarHBondContact O-CD 3.43Å; V299-K334 PolarHBondContact O-NZ 2.95Å; N331-K334 HydrophobicContact CB-CD 4.16Å; N331-K334 WeakPolarHBondContact O-CB 3.37Å; N331-K334 PolarHBondContact O-N 3.17Å; N331-K334 WeakPolarHBondContact OD1-CD 3.28Å; N331-K334 VanDerWaalsContact OD1-CE 3.3Å; N331-K334 WeakPolarHBondContact OD1-CE 3.35Å; N331-K334 PolarHBondContact OD1-NZ 3.24Å
335R88.3Confident92.7Very high142 Ų14250.9 Ų50.954%0.53624%0.24SC..THydrogen-bonded Turntrans-85.3148.7171.7178.7179.7-179.6-149.5-3.9111.2E182 C298 L337E182-R335 IonicContact OE1-CZ 2.64Å; E182-R335 IonicContact OE1-NE 3.58Å; E182-R335 IonicContact OE1-NH2 3.38Å; E182-R335 PolarHBondContact OE1-NH2 3.01Å; E182-R335 IonicContact OE2-NE 2.66Å; C298-R335 PolarHBondContact SG-O 3.41Å; R335-L337 PolarHBondContact O-N 3.25Å
336G89.1Confident92.4Very high3 Ų349.8 Ų49.83%0.03124%0.24CC..THydrogen-bonded Turntrans74.79.1171.600000114L176 Q177 Y296 C298L176-G336 VanDerWaalsContact CD2-O 3.24Å; L176-G336 WeakPolarHBondContact CD2-O 3.36Å; Q177-G336 PolarHBondContact O-N 3.26Å; Y296-G336 WeakPolarHBondContact CB-O 3.48Å; C298-G336 VanDerWaalsContact SG-C 3.57Å
337L94.7Very high92.1Very high0 Ų051.3 Ų51.30%025%0.248CC..  trans-78.3128.4174.4-174.968.7000109.5Q177 Q284 C298 V300 L328 N331 R335 L339 L350Q177-L337 HydrophobicContact CB-CB 4.37Å; Q177-L337 WeakPolarHBondContact CB-O 3.28Å; Q177-L337 PolarHBondContact N-O 2.87Å; Q284-L337 HydrophobicContact CB-CD1 4.46Å; C298-L337 HydrophobicContact CB-CD1 3.79Å; V300-L337 HydrophobicContact CG1-CD1 3.48Å; V300-L337 VanDerWaalsContact CG1-CD1 3.48Å; L328-L337 HydrophobicContact CD1-CD2 4.09Å; N331-L337 HydrophobicContact CB-CD2 3.72Å; R335-L337 PolarHBondContact O-N 3.25Å; L337-L339 HydrophobicContact CD2-CD2 4Å; L337-L339 HydrophobicContact CG-CD2 4.12Å; L337-L350 HydrophobicContact CD1-CD2 4.06Å; L337-L350 HydrophobicContact CD2-CD2 3.74Å; L337-L350 HydrophobicContact CG-CD2 4.12Å
338A96.8Very high92Very high0 Ų049 Ų490%024%0.236CC..EExtended strand (participates in β ladder)trans-81131174.500000110.8V174 T175 L176 Q284 T286 A351 M367 V369V174-A338 HydrophobicContact CG2-CB 4.08Å; T175-A338 CarbonylContact O-C 3.54Å; T175-A338 WeakPolarHBondContact O-CA 3.5Å; L176-A338 HydrophobicContact CD2-CB 4.24Å; Q284-A338 PolarHBondContact NE2-O 3.37Å; T286-A338 HydrophobicContact CG2-CB 4.05Å; T286-A338 WeakPolarHBondContact OG1-CB 3.38Å; A338-A351 HydrophobicContact CB-CB 3.7Å; A338-A351 WeakPolarHBondContact O-CB 3.27Å; A338-A351 PolarHBondContact O-N 3.04Å; A338-M367 HydrophobicContact CB-CE 4.47Å; A338-V369 HydrophobicContact CB-CG2 3.78Å
339L96.8Very high92.1Very high2 Ų251.4 Ų51.41%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-120.8155.7-180-52.2-178.8000109.6V174 T175 L328 L337 G341 L343 T348 N349 L350V174-L339 CarbonylContact C-O 3.57Å; V174-L339 VanDerWaalsContact CA-O 3.27Å; V174-L339 WeakPolarHBondContact CA-O 3.2Å; V174-L339 WeakPolarHBondContact CG2-O 3.42Å; T175-L339 PolarHBondContact N-O 2.74Å; T175-L339 PolarHBondContact O-N 3.1Å; L328-L339 HydrophobicContact CD1-CD2 3.37Å; L328-L339 HydrophobicContact CD2-CD2 4.14Å; L328-L339 HydrophobicContact CG-CD2 4.38Å; L337-L339 HydrophobicContact CD2-CD2 4Å; L337-L339 HydrophobicContact CG-CD2 4.12Å; L339-G341 PolarHBondContact O-N 3.14Å; L339-L343 HydrophobicContact CD1-CB 4.11Å; L339-L343 HydrophobicContact CD1-CD1 3.98Å; L339-T348 HydrophobicContact CB-CG2 3.95Å; L339-T348 HydrophobicContact CD1-CG2 4.23Å; L339-N349 WeakPolarHBondContact CA-O 3.47Å; L339-L350 HydrophobicContact CD2-CD2 4.49Å
340D95.8Very high92.3Very high4 Ų448.3 Ų48.32%0.02122%0.223CC..SBendtrans-82.64173.668.55000113.5R216 L218 T348 N349 H396R216-D340 WeakPolarHBondContact CD-O 3.41Å; R216-D340 IonicContact NH1-OD1 2.64Å; R216-D340 PolarHBondContact NH1-OD1 2.97Å; L218-D340 HydrophobicContact CD2-CB 3.92Å; D340-T348 WeakPolarHBondContact OD1-CA 3.29Å; D340-N349 PolarHBondContact N-O 2.83Å; D340-N349 VanDerWaalsContact N-O 3.15Å; D340-N349 PolarHBondContact OD1-N 2.96Å; D340-H396 IonicContact OD2-CE1 2.71Å; D340-H396 PolarHBondContact OD2-CE1 3.22Å; D340-H396 IonicContact OD2-NE2 2.81Å; D340-H396 PolarHBondContact OD2-NE2 3.02Å
341G92.8Very high92.5Very high7 Ų743.8 Ų43.87%0.07220%0.199CC..SBendtrans-165.4-161.9-170.800000112.6T175 L339T175-G341 WeakPolarHBondContact CB-O 3.45Å; L339-G341 PolarHBondContact O-N 3.14Å
342K88.9Confident92.6Very high92 Ų9244.3 Ų44.340%0.420%0.203SC..  trans-96.8132.7179.2-57.9-174.5-177.8176.30109.1K344 H345 T348K342-K344 HydrophobicContact CB-CG 4.29Å; K342-K344 PolarHBondContact O-N 2.77Å; K342-H345 PolarHBondContact O-N 2.64Å; K342-T348 PolarHBondContact N-OG1 2.94Å; K342-T348 PolarHBondContact O-OG1 2.81Å
343L88.5Confident92.9Very high57 Ų5741.2 Ų41.230%0.29819%0.192SC..THydrogen-bonded Turntrans-49.3-32.3-177.1-173.366.7000114.9Q177 R332 L339 H345 L498Q177-L343 HydrophobicContact CG-CD2 4.46Å; R332-L343 HydrophobicContact CB-CD1 4.15Å; R332-L343 HydrophobicContact CG-CD1 4.1Å; R332-L343 PolarHBondContact NH1-O 2.87Å; L339-L343 HydrophobicContact CD1-CB 4.11Å; L339-L343 HydrophobicContact CD1-CD1 3.98Å; L343-H345 VanDerWaalsContact C-N 3.32Å; L343-H345 PolarHBondContact O-N 2.79Å; L343-L498 VanDerWaalsContact O-CD1 3.27Å; L343-L498 WeakPolarHBondContact O-CD1 3.23Å
344K87.2Confident93.3Very high103 Ų10336 Ų3645%0.44817%0.171SC..THydrogen-bonded Turntrans-72.9-16.818070.8-174.6-178.3-174.10114.9K342 R497 L498K342-K344 HydrophobicContact CB-CG 4.29Å; K342-K344 PolarHBondContact O-N 2.77Å; K344-R497 WeakPolarHBondContact O-CA 3.31Å; K344-L498 PolarHBondContact O-N 3.41Å
345H90.7Very high93.3Very high29 Ų2936.1 Ų36.113%0.13417%0.174CC..BIsolated β-bridgetrans-88.3143.3179.6-51.3151.7000110.2K342 L343 D347 R495K342-H345 PolarHBondContact O-N 2.64Å; L343-H345 VanDerWaalsContact C-N 3.32Å; L343-H345 PolarHBondContact O-N 2.79Å; H345-D347 VanDerWaalsContact C-N 3.33Å; H345-D347 WeakPolarHBondContact CB-OD1 3.45Å; H345-R495 HydrophobicContact CB-CB 4.15Å; H345-R495 WeakPolarHBondContact ND1-CD 3.33Å
346E90.8Very high93.1Very high100 Ų10032.4 Ų32.447%0.46716%0.164SC..THydrogen-bonded Turntrans-69.4-31.9-179.467.9178.9-163.900113.3T348 L496 L498E346-T348 PolarHBondContact O-N 2.75Å; E346-L496 HydrophobicContact CG-CB 3.89Å; E346-L496 PolarHBondContact N-O 3.34Å; E346-L496 VanDerWaalsContact N-O 3.17Å; E346-L496 WeakPolarHBondContact OE1-CB 3.05Å; E346-L496 WeakPolarHBondContact OE1-CD1 3.28Å; E346-L496 WeakPolarHBondContact OE2-CB 3.24Å; E346-L498 HydrophobicContact CB-CD2 3.98Å; E346-L498 HydrophobicContact CB-CG 4.21Å
347D92.3Very high92.6Very high36 Ų3636.8 Ų36.819%0.19319%0.193CC..THydrogen-bonded Turntrans-85.515.2-175.466.1-13.5000113.3R216 H345 R495R216-D347 IonicContact CZ-OD2 2.58Å; R216-D347 PolarHBondContact NH1-O 2.87Å; R216-D347 VanDerWaalsContact NH2-CG 3.26Å; R216-D347 PolarHBondContact NH2-O 2.85Å; R216-D347 IonicContact NH2-OD1 2.69Å; R216-D347 IonicContact NH2-OD2 2.95Å; R216-D347 PolarHBondContact NH2-OD2 3.02Å; H345-D347 VanDerWaalsContact C-N 3.33Å; H345-D347 WeakPolarHBondContact CB-OD1 3.45Å; D347-R495 IonicContact OD1-NE 3.67Å; D347-R495 WeakPolarHBondContact OD2-CD 3.3Å; D347-R495 IonicContact OD2-NE 3.46Å; D347-R495 PolarHBondContact OD2-NE 2.89Å
348T94.5Very high91.8Very high3 Ų339.9 Ų39.92%0.01821%0.209CC..  trans-92.9134.9178.7-64.10000110.2L328 L339 D340 K342 E346L328-T348 HydrophobicContact CD2-CG2 3.95Å; L328-T348 WeakPolarHBondContact CD2-O 3.27Å; L339-T348 HydrophobicContact CB-CG2 3.95Å; L339-T348 HydrophobicContact CD1-CG2 4.23Å; D340-T348 WeakPolarHBondContact OD1-CA 3.29Å; K342-T348 PolarHBondContact N-OG1 2.94Å; K342-T348 PolarHBondContact O-OG1 2.81Å; E346-T348 PolarHBondContact O-N 2.75Å
349N96.4Very high91Very high58 Ų5844.5 Ų44.531%0.3124%0.239SC..  trans-119.9-179.8175.3-68.2-67.9000111.3L339 D340L339-N349 WeakPolarHBondContact CA-O 3.47Å; D340-N349 PolarHBondContact N-O 2.83Å; D340-N349 VanDerWaalsContact N-O 3.15Å; D340-N349 PolarHBondContact OD1-N 2.96Å
350L97.5Very high90.2Very high2 Ų250.5 Ų50.51%0.0127%0.272CS..BIsolated β-bridgetrans-58.3148.3163.9-63.1176.1000109H257 V300 P326 L328 L337 L339 S352 Y371 L394H257-L350 PolarHBondContact CE1-O 3.46Å; H257-L350 PolarHBondContact NE2-O 2.88Å; V300-L350 HydrophobicContact CB-CD1 4.18Å; V300-L350 HydrophobicContact CG1-CD1 4.35Å; V300-L350 HydrophobicContact CG1-CD2 4.25Å; V300-L350 HydrophobicContact CG2-CD1 4.47Å; P326-L350 HydrophobicContact CB-CD1 3.94Å; L328-L350 HydrophobicContact CB-CD2 4.38Å; L328-L350 HydrophobicContact CB-CG 4.34Å; L328-L350 HydrophobicContact CD1-CD2 4.19Å; L337-L350 HydrophobicContact CD1-CD2 4.06Å; L337-L350 HydrophobicContact CD2-CD2 3.74Å; L337-L350 HydrophobicContact CG-CD2 4.12Å; L339-L350 HydrophobicContact CD2-CD2 4.49Å; L350-S352 PolarHBondContact O-N 3.08Å; L350-Y371 WeakPolarHBondContact CB-OH 3.05Å; L350-L394 HydrophobicContact CB-CD2 4.19Å; L350-L394 HydrophobicContact CD1-CD2 4.33Å
351A97.6Very high89.3Confident1 Ų153.4 Ų53.41%0.00829%0.285CS..PPolyproline II helixtrans-62.4136.2176.900000111.1V174 A338 V369 Y371V174-A351 HydrophobicContact CG2-CB 3.57Å; A338-A351 HydrophobicContact CB-CB 3.7Å; A338-A351 WeakPolarHBondContact O-CB 3.27Å; A338-A351 PolarHBondContact O-N 3.04Å; A351-V369 HydrophobicContact CB-CB 4.44Å; A351-V369 HydrophobicContact CB-CG1 4.15Å; A351-V369 HydrophobicContact CB-CG2 3.91Å; A351-Y371 WeakPolarHBondContact O-CE2 3.38Å; A351-Y371 VanDerWaalsContact O-CZ 3.3Å; A351-Y371 PolarHBondContact O-OH 2.99Å
352S97.5Very high88.7Confident14 Ų1456.8 Ų56.810%0.09830%0.298CS..PPolyproline II helixtrans-64152.6170.6-59.90000111H257 L350 T354 L394 H396H257-S352 PolarHBondContact NE2-OG 3.1Å; H257-S352 VanDerWaalsContact NE2-OG 3.17Å; L350-S352 PolarHBondContact O-N 3.08Å; S352-T354 PolarHBondContact O-N 2.71Å; S352-L394 CarbonylContact C-O 3.5Å; S352-L394 VanDerWaalsContact CA-O 3.29Å; S352-L394 WeakPolarHBondContact CA-O 3.23Å; S352-L394 WeakPolarHBondContact CB-O 3.4Å; S352-H396 PolarHBondContact OG-CD2 2.85Å
353S97.1Very high88.3Confident8 Ų858.3 Ų58.36%0.05631%0.306CS..PPolyproline II helixtrans-57.1135.4171.1-71.40000110.7I355 V369 Y371 T393 L394S353-I355 PolarHBondContact O-N 3.07Å; S353-V369 WeakPolarHBondContact CA-O 3.38Å; S353-Y371 WeakPolarHBondContact OG-CD2 3.49Å; S353-T393 WeakPolarHBondContact OG-CA 3.44Å; S353-L394 PolarHBondContact N-O 2.83Å; S353-L394 PolarHBondContact OG-N 3.19Å
354T95.4Very high88Confident38 Ų3857.1 Ų57.123%0.23330%0.3CS..  trans-78.3115.8176.4-52.40000110.2S352 I356 L365 T368 V369S352-T354 PolarHBondContact O-N 2.71Å; T354-I356 HydrophobicContact CG2-CG1 4.39Å; T354-L365 HydrophobicContact CG2-CD1 3.9Å; T354-T368 HydrophobicContact CG2-CG2 4.1Å; T354-T368 WeakPolarHBondContact OG1-CA 3.36Å; T354-V369 PolarHBondContact N-O 3.13Å; T354-V369 PolarHBondContact OG1-N 2.83Å
355I90.8Very high88Confident59 Ų5953.1 Ų53.130%0.30328%0.283SS..  trans-93.5116.7175.4-60.6173.9000107.7L39 T219 A221 S353 T393L39-I355 HydrophobicContact CD1-CD1 3.79Å; L39-I355 HydrophobicContact CD1-CG2 4.46Å; L39-I355 HydrophobicContact CD2-CB 4.15Å; L39-I355 HydrophobicContact CD2-CD1 3.92Å; L39-I355 HydrophobicContact CD2-CG2 4.09Å; L39-I355 HydrophobicContact CG-CD1 4.43Å; T219-I355 HydrophobicContact CG2-CD1 4.25Å; A221-I355 HydrophobicContact CB-CD1 3.62Å; S353-I355 PolarHBondContact O-N 3.07Å; I355-T393 HydrophobicContact CD1-CG2 4.37Å
356I85.1Confident87.9Confident65 Ų6551.7 Ų51.733%0.33328%0.277SS..  trans-94.9102.9-176.9-56.5175.7000108.2T354 N358 K362 L365 T368T354-I356 HydrophobicContact CG2-CG1 4.39Å; I356-N358 WeakPolarHBondContact CG2-O 3.44Å; I356-K362 HydrophobicContact CD1-CD 4.2Å; I356-K362 HydrophobicContact CD1-CG 4.22Å; I356-L365 HydrophobicContact CG1-CD1 3.99Å; I356-T368 HydrophobicContact CD1-CG2 4.44Å
357C77Confident88Confident95 Ų9547.1 Ų47.164%0.64226%0.256SS*.SBendtrans-74.7-38.3177-58.80000112.1
358N78.3Confident88.1Confident64 Ų6445.8 Ų45.834%0.34225%0.249SC..  trans-126.1113.6176.3-173.4-15.1000110.1I356 N360 H361I356-N358 WeakPolarHBondContact CG2-O 3.44Å; N358-N360 PolarHBondContact O-N 3.23Å; N358-N360 WeakPolarHBondContact OD1-CB 3.5Å; N358-N360 PolarHBondContact OD1-N 2.81Å; N358-H361 PolarHBondContact O-N 3.07Å
359P80.1Confident88.2Confident97 Ų9745.7 Ų45.763%0.6325%0.248SC*.G310 helixtrans-63-25.8-177.625.4-34000113.4H361 K362P359-H361 PolarHBondContact O-N 2.61Å; P359-K362 WeakPolarHBondContact O-CB 3.2Å; P359-K362 PolarHBondContact O-N 2.95Å
360N80.3Confident88.2Confident128 Ų12847.6 Ų47.668%0.68426%0.255SS*.G310 helixtrans-67.1-23.4179.4-64.5-19.3000112.3N358N358-N360 PolarHBondContact O-N 3.23Å; N358-N360 WeakPolarHBondContact OD1-CB 3.5Å; N358-N360 PolarHBondContact OD1-N 2.81Å
361H77.5Confident88.3Confident65 Ų6547.6 Ų47.630%0.30126%0.255SS..G310 helixtrans-96.39.8-176.9-65.5-168.1000112.7D169 N358 P359 E363 N364D169-H361 IonicContact OD2-CE1 2.93Å; D169-H361 IonicContact OD2-ND1 2.73Å; D169-H361 PolarHBondContact OD2-ND1 2.93Å; N358-H361 PolarHBondContact O-N 3.07Å; P359-H361 PolarHBondContact O-N 2.61Å; H361-E363 PolarHBondContact O-N 2.84Å; H361-N364 WeakPolarHBondContact O-CB 3.25Å; H361-N364 PolarHBondContact O-N 2.92Å
362K80Confident88.3Confident79 Ų7952 Ų5234%0.34327%0.272SS..G310 helixtrans-56-37.3-175.9-175.7179.5176.8-177.80113I356 P359 N364 L365 T368I356-K362 HydrophobicContact CD1-CD 4.2Å; I356-K362 HydrophobicContact CD1-CG 4.22Å; P359-K362 WeakPolarHBondContact O-CB 3.2Å; P359-K362 PolarHBondContact O-N 2.95Å; K362-N364 VanDerWaalsContact C-N 3.27Å; K362-N364 PolarHBondContact O-N 2.86Å; K362-L365 WeakPolarHBondContact O-CB 3.49Å; K362-L365 PolarHBondContact O-N 2.85Å; K362-T368 HydrophobicContact CG-CG2 4.41Å
363E79.9Confident88.4Confident123 Ų12351.5 Ų51.558%0.57527%0.268SS*.G310 helixtrans-67.3-25.217859.7-172.7-157.700113.7L290 H361 L365L290-E363 VanDerWaalsContact CD2-O 3.28Å; L290-E363 WeakPolarHBondContact CD2-O 3.44Å; L290-E363 WeakPolarHBondContact CG-O 3.45Å; H361-E363 PolarHBondContact O-N 2.84Å; E363-L365 VanDerWaalsContact C-N 3.33Å
364N82.6Confident88.4Confident33 Ų3353.3 Ų53.318%0.17627%0.274CS..G310 helixtrans-83.9-9.5178.4-66.2-30000113.1H361 K362 G366H361-N364 WeakPolarHBondContact O-CB 3.25Å; H361-N364 PolarHBondContact O-N 2.92Å; K362-N364 VanDerWaalsContact C-N 3.27Å; K362-N364 PolarHBondContact O-N 2.86Å; N364-G366 PolarHBondContact O-N 2.8Å
365L87.1Confident88.5Confident18 Ų1851.5 Ų51.59%0.09426%0.264CS..G310 helixtrans-71.3-18.8176.5-61.3175.6000112.7P171 T354 I356 K362 E363 M367 T368P171-L365 HydrophobicContact CB-CD2 4.44Å; P171-L365 VanDerWaalsContact CB-O 3.29Å; P171-L365 WeakPolarHBondContact CB-O 3.46Å; T354-L365 HydrophobicContact CG2-CD1 3.9Å; I356-L365 HydrophobicContact CG1-CD1 3.99Å; K362-L365 WeakPolarHBondContact O-CB 3.49Å; K362-L365 PolarHBondContact O-N 2.85Å; E363-L365 VanDerWaalsContact C-N 3.33Å; L365-M367 PolarHBondContact O-N 2.87Å; L365-T368 HydrophobicContact CD1-CG2 4.14Å
366G88.8Confident88.8Confident0 Ų053.3 Ų53.30%027%0.267CS..SBendtrans74.1-47.9-176.600000114F69 C289 N364F69-G366 WeakPolarHBondContact CE2-O 3.01Å; C289-G366 PolarHBondContact N-O 3.07Å; N364-G366 PolarHBondContact O-N 2.8Å
367M91.8Very high89.4Confident4 Ų450.2 Ų50.22%0.0225%0.251CS..EExtended strand (participates in β ladder)trans-148.5139.5178.8-174.9160.961.500111.9V174 L176 T286 Q287 L288 A338 L365V174-M367 HydrophobicContact CB-CE 3.75Å; V174-M367 HydrophobicContact CG1-CB 4.16Å; V174-M367 HydrophobicContact CG1-CE 3.31Å; V174-M367 HydrophobicContact CG2-CE 3.26Å; L176-M367 HydrophobicContact CD1-SD 3.78Å; L176-M367 HydrophobicContact CD2-SD 4.1Å; L176-M367 HydrophobicContact CG-CE 4.12Å; L176-M367 HydrophobicContact CG-SD 3.58Å; L176-M367 VanDerWaalsContact CG-SD 3.58Å; T286-M367 HydrophobicContact CG2-CE 4.44Å; T286-M367 HydrophobicContact CG2-CG 3.51Å; T286-M367 HydrophobicContact CG2-SD 3.24Å; T286-M367 WeakPolarHBondContact CG2-SD 3.44Å; Q287-M367 WeakPolarHBondContact O-CA 3.39Å; L288-M367 HydrophobicContact CD2-CB 4.18Å; L288-M367 HydrophobicContact CD2-CG 3.94Å; L288-M367 HydrophobicContact CD2-SD 3.53Å; L288-M367 VanDerWaalsContact CD2-SD 3.53Å; A338-M367 HydrophobicContact CB-CE 4.47Å; L365-M367 PolarHBondContact O-N 2.87Å
368T94.2Very high90.3Very high8 Ų846.7 Ų46.75%0.04923%0.226CC..EExtended strand (participates in β ladder)trans-115.5134174.855.60000111.3T286 Q287 T354 I356 K362 L365T286-T368 CarbonylContact C-O 3.54Å; T286-T368 WeakPolarHBondContact CA-O 3.42Å; Q287-T368 PolarHBondContact N-O 3.22Å; Q287-T368 PolarHBondContact O-N 2.77Å; Q287-T368 PolarHBondContact O-OG1 3.36Å; T354-T368 HydrophobicContact CG2-CG2 4.1Å; T354-T368 WeakPolarHBondContact OG1-CA 3.36Å; I356-T368 HydrophobicContact CD1-CG2 4.44Å; K362-T368 HydrophobicContact CG-CG2 4.41Å; L365-T368 HydrophobicContact CD1-CG2 4.14Å
369V97.1Very high90.9Very high1 Ų144 Ų441%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-118133.1179.1-1770000109.6V174 Q284 Y285 T286 A338 A351 S353 T354 Y371V174-V369 HydrophobicContact CG2-CG2 4.12Å; Q284-V369 HydrophobicContact CG-CG1 3.74Å; Y285-V369 CarbonylContact O-C 3.53Å; Y285-V369 WeakPolarHBondContact O-CA 3.42Å; T286-V369 HydrophobicContact CG2-CG2 4.23Å; A338-V369 HydrophobicContact CB-CG2 3.78Å; A351-V369 HydrophobicContact CB-CB 4.44Å; A351-V369 HydrophobicContact CB-CG1 4.15Å; A351-V369 HydrophobicContact CB-CG2 3.91Å; S353-V369 WeakPolarHBondContact CA-O 3.38Å; T354-V369 PolarHBondContact N-O 3.13Å; T354-V369 PolarHBondContact OG1-N 2.83Å; V369-Y371 HydrophobicContact CG1-CD2 4.39Å; V369-Y371 HydrophobicContact CG1-CE2 3.67Å
370Q97.4Very high91Very high97 Ų9740.2 Ų40.245%0.45319%0.19SC..EExtended strand (participates in β ladder)trans-136.5150.2177.4-64.9-177.1-20.900110.1Y285Y285-Q370 PolarHBondContact N-O 3.34Å; Y285-Q370 PolarHBondContact O-N 3.43Å
371Y98.4Very high90.8Very high2 Ų244.1 Ų44.11%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-120145.6176.6-67.6-96000111.7V282 R283 Q284 V300 L350 A351 S353 V369 F392 L394V282-Y371 HydrophobicContact CG1-CD1 4.37Å; R283-Y371 WeakPolarHBondContact O-CA 3.47Å; Q284-Y371 HydrophobicContact CB-CD1 4.04Å; Q284-Y371 HydrophobicContact CB-CE1 3.65Å; Q284-Y371 HydrophobicContact CG-CD1 4.33Å; Q284-Y371 HydrophobicContact CG-CE1 3.72Å; Q284-Y371 HydrophobicContact CG-CE2 4.39Å; Q284-Y371 PolarHBondContact NE2-OH 3.17Å; V300-Y371 HydrophobicContact CG2-CD1 4.41Å; V300-Y371 HydrophobicContact CG2-CE1 4.28Å; L350-Y371 WeakPolarHBondContact CB-OH 3.05Å; A351-Y371 WeakPolarHBondContact O-CE2 3.38Å; A351-Y371 VanDerWaalsContact O-CZ 3.3Å; A351-Y371 PolarHBondContact O-OH 2.99Å; S353-Y371 WeakPolarHBondContact OG-CD2 3.49Å; V369-Y371 HydrophobicContact CG1-CD2 4.39Å; V369-Y371 HydrophobicContact CG1-CE2 3.67Å; Y371-F392 HydrophobicContact CD1-CZ 4.18Å; Y371-F392 HydrophobicContact CG-CE2 4.25Å; Y371-F392 HydrophobicContact CG-CZ 4.01Å; Y371-F392 PolarHBondContact O-N 3.36Å; Y371-L394 HydrophobicContact CD1-CD2 4.43Å; Y371-L394 HydrophobicContact CD2-CB 3.77Å; Y371-L394 HydrophobicContact CD2-CD2 4.43Å; Y371-L394 HydrophobicContact CE1-CD2 3.86Å; Y371-L394 HydrophobicContact CE2-CB 3.79Å; Y371-L394 HydrophobicContact CE2-CD2 3.86Å; Y371-L394 HydrophobicContact CE2-CG 4.45Å; Y371-L394 HydrophobicContact CG-CB 4.29Å
372R98.2Very high90.7Very high95 Ų9547.5 Ų47.536%0.35823%0.226SC..EExtended strand (participates in β ladder)trans-139.1140.9171.7-53.7-177.4175.9-164-6.5111.2R283 Y285 E389 L390R283-R372 PolarHBondContact N-O 3.3Å; R283-R372 PolarHBondContact O-N 3.23Å; Y285-R372 HydrophobicContact CD2-CB 4.5Å; Y285-R372 HydrophobicContact CD2-CG 4.05Å; Y285-R372 HydrophobicContact CE2-CB 3.94Å; Y285-R372 HydrophobicContact CE2-CG 3.8Å; R372-E389 VanDerWaalsContact CD-OE2 3.31Å; R372-E389 WeakPolarHBondContact CD-OE2 3.44Å; R372-E389 IonicContact NH1-OE2 3.51Å; R372-L390 CarbonylContact C-O 3.58Å; R372-L390 WeakPolarHBondContact CA-O 3.18Å
373V98.4Very high90.8Very high2 Ų244.7 Ų44.71%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-84.8127.6162.6175.30000107.8L250 I261 I263 S281 V282 V375 E389 L390 F392L250-V373 HydrophobicContact CD1-CG2 4.18Å; L250-V373 HydrophobicContact CD2-CB 4.2Å; L250-V373 HydrophobicContact CD2-CG1 4.34Å; L250-V373 HydrophobicContact CD2-CG2 3.94Å; I261-V373 HydrophobicContact CG2-CG2 4.15Å; I263-V373 HydrophobicContact CD1-CG1 3.53Å; I263-V373 HydrophobicContact CD1-CG2 4.34Å; I263-V373 HydrophobicContact CG1-CG1 3.98Å; I263-V373 HydrophobicContact CG2-CG1 4.18Å; S281-V373 CarbonylContact O-C 3.56Å; S281-V373 WeakPolarHBondContact O-CA 3.4Å; V282-V373 HydrophobicContact CG2-CG2 4.47Å; V373-V375 HydrophobicContact CG1-CG2 4.28Å; V373-E389 CarbonylContact O-C 3.56Å; V373-E389 VanDerWaalsContact O-CA 3.23Å; V373-E389 WeakPolarHBondContact O-CA 3.13Å; V373-L390 PolarHBondContact N-O 2.95Å; V373-L390 PolarHBondContact O-N 2.78Å; V373-F392 HydrophobicContact CG2-CD1 3.89Å; V373-F392 HydrophobicContact CG2-CE1 3.76Å
374K98.2Very high91.2Very high46 Ų4642 Ų4220%0.221%0.211CC..EExtended strand (participates in β ladder)trans-113.4122.5174-178.9177.3-162.1133.10109.7L280 S281 V388 E389L280-K374 CarbonylContact C-O 3.52Å; L280-K374 WeakPolarHBondContact CA-O 3.42Å; S281-K374 PolarHBondContact N-O 2.73Å; S281-K374 PolarHBondContact O-N 3.15Å; K374-V388 WeakPolarHBondContact CA-O 3.41Å; K374-E389 HydrophobicContact CB-CG 3.87Å; K374-E389 HydrophobicContact CD-CG 4.23Å; K374-E389 WeakPolarHBondContact CD-OE1 3.5Å; K374-E389 WeakPolarHBondContact CE-OE1 3.26Å; K374-E389 HydrophobicContact CG-CG 3.8Å; K374-E389 IonicContact NZ-OE1 3.45Å; K374-E389 PolarHBondContact NZ-OE1 3.23Å
375V98.2Very high91.7Very high1 Ų142.3 Ų42.31%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-108.9131.3172.5-179.80000108.6L246 V248 I263 V265 I278 L280 V373 S387 V388L246-V375 HydrophobicContact CD1-CG1 4.38Å; V248-V375 HydrophobicContact CG1-CG2 3.82Å; V248-V375 HydrophobicContact CG2-CB 3.98Å; V248-V375 HydrophobicContact CG2-CG1 4.14Å; V248-V375 HydrophobicContact CG2-CG2 3.98Å; I263-V375 HydrophobicContact CG2-CG2 4.05Å; V265-V375 HydrophobicContact CG1-CG1 4.3Å; V265-V375 HydrophobicContact CG2-CG1 4.18Å; V265-V375 HydrophobicContact CG2-CG2 4.31Å; I278-V375 HydrophobicContact CD1-CG1 3.81Å; I278-V375 HydrophobicContact CG1-CG1 4.08Å; L280-V375 HydrophobicContact CD2-CG2 4.11Å; L280-V375 HydrophobicContact CG-CG2 4.34Å; V373-V375 HydrophobicContact CG1-CG2 4.28Å; V375-S387 CarbonylContact O-C 3.58Å; V375-S387 WeakPolarHBondContact O-CA 3.23Å; V375-S387 WeakPolarHBondContact O-CB 3.02Å; V375-V388 HydrophobicContact CB-CG1 4.1Å; V375-V388 PolarHBondContact N-O 3.11Å; V375-V388 PolarHBondContact O-N 3.43Å
376R97.1Very high92Very high97 Ų9741.6 Ų41.637%0.36621%0.209SC..EExtended strand (participates in β ladder)trans-133119.5-178.5-175.3175.9-170.1-111.14.7110.4K279 D385 V386K279-R376 HydrophobicContact CB-CB 4.41Å; K279-R376 PolarHBondContact N-O 2.54Å; K279-R376 PolarHBondContact O-N 3.15Å; R376-D385 HydrophobicContact CG-CB 4.13Å; R376-D385 IonicContact CZ-OD2 2.77Å; R376-D385 IonicContact NE-OD2 3.51Å; R376-D385 IonicContact NH1-OD2 2.93Å; R376-D385 PolarHBondContact NH1-OD2 3.31Å; R376-D385 IonicContact NH2-OD2 2.61Å; R376-D385 PolarHBondContact NH2-OD2 3.25Å; R376-V386 CarbonylContact C-O 3.51Å; R376-V386 VanDerWaalsContact CA-O 3.32Å; R376-V386 WeakPolarHBondContact CA-O 3.38Å
377L96.3Very high92.4Very high0 Ų044.1 Ų44.10%023%0.227CC..EExtended strand (participates in β ladder)trans-87.7127.7170.1-60.2-176.6000109.3L244 L246 V267 V275 I278 L379 D385 V386L244-L377 HydrophobicContact CD2-CD1 4.18Å; L246-L377 HydrophobicContact CB-CD1 4.17Å; L246-L377 HydrophobicContact CD1-CD1 4.03Å; L246-L377 HydrophobicContact CD1-CD2 4.45Å; L246-L377 HydrophobicContact CD1-CG 4.19Å; L246-L377 HydrophobicContact CD2-CD1 4.28Å; L246-L377 HydrophobicContact CD2-CG 4.13Å; L246-L377 HydrophobicContact CG-CD1 4.39Å; V267-L377 HydrophobicContact CG1-CD1 3.95Å; V267-L377 HydrophobicContact CG2-CD1 3.85Å; V267-L377 HydrophobicContact CG2-CD2 4.11Å; V275-L377 HydrophobicContact CG1-CB 3.8Å; V275-L377 HydrophobicContact CG1-CD1 4.44Å; V275-L377 HydrophobicContact CG1-CD2 4.12Å; V275-L377 HydrophobicContact CG1-CG 4.33Å; V275-L377 HydrophobicContact CG2-CD1 4.48Å; I278-L377 HydrophobicContact CB-CD2 4.23Å; I278-L377 HydrophobicContact CD1-CD2 3.93Å; I278-L377 HydrophobicContact CG1-CD2 3.95Å; L377-L379 HydrophobicContact CB-CD1 4.09Å; L377-L379 WeakPolarHBondContact O-CD1 3.42Å; L377-D385 WeakPolarHBondContact O-CA 3.45Å; L377-D385 VanDerWaalsContact O-CB 3.27Å; L377-D385 WeakPolarHBondContact O-CB 3.43Å; L377-V386 HydrophobicContact CB-CB 4.39Å; L377-V386 PolarHBondContact N-O 2.97Å; L377-V386 PolarHBondContact O-N 3.11Å; L377-V386 VanDerWaalsContact O-N 3.11Å
378V95.3Very high92.6Very high20 Ų2044.4 Ų44.412%0.12123%0.229CC..EExtended strand (participates in β ladder)trans-100.4118.6179.7-179.60000110K276 K277 D385K276-V378 PolarHBondContact N-O 3.36Å; K277-V378 HydrophobicContact CG-CB 3.64Å; K277-V378 HydrophobicContact CG-CG1 4.21Å; K277-V378 HydrophobicContact CG-CG2 3.92Å; K277-V378 PolarHBondContact O-N 3.39Å; V378-D385 VanDerWaalsContact CA-OD1 3.29Å; V378-D385 WeakPolarHBondContact CA-OD1 3.24Å
379L91.8Very high92.8Very high9 Ų946.4 Ų46.45%0.04724%0.238CC..  trans-99.5-12-174.3-77.673.5000113.3F237 L244 K273 T274 V275 L377 D385 V386F237-L379 HydrophobicContact CE1-CD2 3.57Å; F237-L379 HydrophobicContact CE2-CD2 4.4Å; F237-L379 HydrophobicContact CZ-CD2 3.31Å; L244-L379 HydrophobicContact CD2-CD1 3.87Å; L244-L379 HydrophobicContact CD2-CD2 3.8Å; L244-L379 HydrophobicContact CD2-CG 4.21Å; K273-L379 HydrophobicContact CB-CD2 3.88Å; K273-L379 HydrophobicContact CG-CD2 4.32Å; T274-L379 WeakPolarHBondContact O-CA 3.31Å; V275-L379 HydrophobicContact CG2-CD1 4.48Å; V275-L379 HydrophobicContact CG2-CG 4.44Å; L377-L379 HydrophobicContact CB-CD1 4.09Å; L377-L379 WeakPolarHBondContact O-CD1 3.42Å; L379-D385 PolarHBondContact N-OD1 2.86Å; L379-D385 VanDerWaalsContact N-OD1 3.07Å; L379-V386 HydrophobicContact CD1-CG2 4.2Å
380G83.2Confident92.8Very high16 Ų1646.6 Ų46.617%0.16524%0.238CC..  trans99.7-179.9179.800000114.3V382 S383G380-V382 VanDerWaalsContact C-N 3.25Å; G380-V382 PolarHBondContact O-N 2.93Å; G380-S383 PolarHBondContact O-N 3.25Å; G380-S383 VanDerWaalsContact O-N 3.11Å; G380-S383 VanDerWaalsContact O-O 3.12Å
381F74.4Confident92.8Very high211 Ų21145.9 Ų45.993%0.92524%0.242SC*.THydrogen-bonded Turntrans-56.3-22.7-161.1-66.7-76.8000117.7
382V75.9Confident92.8Very high136 Ų13646.2 Ų46.282%0.82424%0.244SC*.THydrogen-bonded Turntrans-101.7-13-174.7-170.70000112.3G380G380-V382 VanDerWaalsContact C-N 3.25Å; G380-V382 PolarHBondContact O-N 2.93Å
383S82.1Confident92.7Very high20 Ų2043 Ų4314%0.1423%0.234CC..SBendtrans-118.3134.5-171.4-600000110.1K273 G380 D385K273-S383 WeakPolarHBondContact CD-OG 3.43Å; K273-S383 VanDerWaalsContact CE-OG 3.24Å; K273-S383 WeakPolarHBondContact CE-OG 3.14Å; G380-S383 PolarHBondContact O-N 3.25Å; G380-S383 VanDerWaalsContact O-N 3.11Å; G380-S383 VanDerWaalsContact O-O 3.12Å; S383-D385 PolarHBondContact O-N 2.81Å
384S88.6Confident92.7Very high65 Ų6543 Ų4346%0.45523%0.234SC..  trans-63.4133.5169.863.20000109.9K235K235-S384 VanDerWaalsContact CE-OG 3.31Å; K235-S384 WeakPolarHBondContact CE-OG 3.32Å
385D92.4Very high92.6Very high40 Ų4040.8 Ų40.821%0.21423%0.225CC..  trans-62152.2174.9-66.8-17.8000111.7R376 L377 V378 L379 S383R376-D385 HydrophobicContact CG-CB 4.13Å; R376-D385 IonicContact CZ-OD2 2.77Å; R376-D385 IonicContact NE-OD2 3.51Å; R376-D385 IonicContact NH1-OD2 2.93Å; R376-D385 PolarHBondContact NH1-OD2 3.31Å; R376-D385 IonicContact NH2-OD2 2.61Å; R376-D385 PolarHBondContact NH2-OD2 3.25Å; L377-D385 WeakPolarHBondContact O-CA 3.45Å; L377-D385 VanDerWaalsContact O-CB 3.27Å; L377-D385 WeakPolarHBondContact O-CB 3.43Å; V378-D385 VanDerWaalsContact CA-OD1 3.29Å; V378-D385 WeakPolarHBondContact CA-OD1 3.24Å; L379-D385 PolarHBondContact N-OD1 2.86Å; L379-D385 VanDerWaalsContact N-OD1 3.07Å; S383-D385 PolarHBondContact O-N 2.81Å
386V94.7Very high92.4Very high4 Ų441.5 Ų41.52%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-104.8127.9177.9-178.60000108.4V233 K235 L244 L246 R376 L377 L379V233-V386 HydrophobicContact CG1-CG1 3.95Å; K235-V386 HydrophobicContact CB-CG1 4.34Å; K235-V386 HydrophobicContact CB-CG2 3.64Å; K235-V386 HydrophobicContact CG-CG2 3.75Å; L244-V386 HydrophobicContact CD2-CB 4.43Å; L244-V386 HydrophobicContact CD2-CG2 3.8Å; L246-V386 HydrophobicContact CB-CG1 4.14Å; L246-V386 HydrophobicContact CD2-CG1 4.07Å; R376-V386 CarbonylContact C-O 3.51Å; R376-V386 VanDerWaalsContact CA-O 3.32Å; R376-V386 WeakPolarHBondContact CA-O 3.38Å; L377-V386 HydrophobicContact CB-CB 4.39Å; L377-V386 PolarHBondContact N-O 2.97Å; L377-V386 PolarHBondContact O-N 3.11Å; L377-V386 VanDerWaalsContact O-N 3.11Å; L379-V386 HydrophobicContact CD1-CG2 4.2Å
387S96.2Very high92.2Very high52 Ų5240 Ų4036%0.36423%0.231SC..EExtended strand (participates in β ladder)trans-138.2147.6179.665.50000113V375V375-S387 CarbonylContact O-C 3.58Å; V375-S387 WeakPolarHBondContact O-CA 3.23Å; V375-S387 WeakPolarHBondContact O-CB 3.02Å
388V97.3Very high91.7Very high10 Ų1046 Ų466%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-132.3147.2174.2660000109.5A231 V233 L246 V248 K374 V375A231-V388 HydrophobicContact CB-CG2 3.57Å; V233-V388 HydrophobicContact CG2-CB 3.78Å; V233-V388 HydrophobicContact CG2-CG2 3.78Å; L246-V388 HydrophobicContact CD2-CB 4.28Å; L246-V388 HydrophobicContact CD2-CG1 3.75Å; L246-V388 HydrophobicContact CG-CG1 4.11Å; V248-V388 HydrophobicContact CB-CG1 3.87Å; V248-V388 HydrophobicContact CG2-CG1 3.38Å; K374-V388 WeakPolarHBondContact CA-O 3.41Å; V375-V388 HydrophobicContact CB-CG1 4.1Å; V375-V388 PolarHBondContact N-O 3.11Å; V375-V388 PolarHBondContact O-N 3.43Å
389E97.6Very high90.9Very high51 Ų5147.9 Ų47.924%0.23827%0.269CS..EExtended strand (participates in β ladder)trans-123.5132175.6-65.6-169.8-177.800110.3Y285 R372 V373 K374Y285-E389 PolarHBondContact OH-OE1 3.04Å; Y285-E389 PolarHBondContact OH-OE2 2.89Å; R372-E389 VanDerWaalsContact CD-OE2 3.31Å; R372-E389 WeakPolarHBondContact CD-OE2 3.44Å; R372-E389 IonicContact NH1-OE2 3.51Å; V373-E389 CarbonylContact O-C 3.56Å; V373-E389 VanDerWaalsContact O-CA 3.23Å; V373-E389 WeakPolarHBondContact O-CA 3.13Å; K374-E389 HydrophobicContact CB-CG 3.87Å; K374-E389 HydrophobicContact CD-CG 4.23Å; K374-E389 WeakPolarHBondContact CD-OE1 3.5Å; K374-E389 WeakPolarHBondContact CE-OE1 3.26Å; K374-E389 HydrophobicContact CG-CG 3.8Å; K374-E389 IonicContact NZ-OE1 3.45Å; K374-E389 PolarHBondContact NZ-OE1 3.23Å
390L98Very high89.8Confident5 Ų554.9 Ų54.93%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-115.8127.5176-65.6179.6000110.3A231 V248 L250 R372 V373A231-L390 HydrophobicContact CB-CD2 3.39Å; V248-L390 HydrophobicContact CB-CD1 4.04Å; V248-L390 HydrophobicContact CG1-CD1 3.6Å; V248-L390 HydrophobicContact CG1-CG 4.48Å; L250-L390 HydrophobicContact CD1-CB 4.1Å; L250-L390 HydrophobicContact CD2-CD1 4.17Å; L250-L390 HydrophobicContact CG-CB 4.29Å; L250-L390 HydrophobicContact CG-CD1 3.84Å; R372-L390 CarbonylContact C-O 3.58Å; R372-L390 WeakPolarHBondContact CA-O 3.18Å; V373-L390 PolarHBondContact N-O 2.95Å; V373-L390 PolarHBondContact O-N 2.78Å
391P97.4Very high88.4Confident82 Ų8258.5 Ų58.553%0.53233%0.33SS..EExtended strand (participates in β ladder)trans-74.8150.9174.133-34.3000111.3
392F97.1Very high87.1Confident9 Ų955.1 Ų55.14%0.03932%0.317CS..EExtended strand (participates in β ladder)trans-150.5165.216871.5-87.6000110.6L250 E253 Y255 I261 V282 Y371 V373 L394L250-F392 HydrophobicContact CD1-CB 4.01Å; L250-F392 HydrophobicContact CD1-CD1 4.45Å; E253-F392 WeakPolarHBondContact O-CA 3.49Å; E253-F392 WeakPolarHBondContact O-CB 3.37Å; Y255-F392 HydrophobicContact CD2-CB 4.21Å; Y255-F392 AromaticContact CD2-CD2 3.64Å; Y255-F392 HydrophobicContact CD2-CD2 3.64Å; Y255-F392 HydrophobicContact CD2-CE2 4.32Å; Y255-F392 HydrophobicContact CD2-CG 4.15Å; Y255-F392 HydrophobicContact CE2-CB 4.17Å; Y255-F392 HydrophobicContact CE2-CD2 4.29Å; Y255-F392 HydrophobicContact CE2-CG 4.36Å; I261-F392 HydrophobicContact CD1-CD2 4.38Å; I261-F392 HydrophobicContact CD1-CE1 4.02Å; I261-F392 HydrophobicContact CD1-CE2 3.71Å; I261-F392 HydrophobicContact CD1-CZ 3.48Å; I261-F392 VanDerWaalsContact CD1-CZ 3.48Å; V282-F392 HydrophobicContact CG1-CE1 3.82Å; V282-F392 HydrophobicContact CG1-CZ 3.56Å; Y371-F392 HydrophobicContact CD1-CZ 4.18Å; Y371-F392 HydrophobicContact CG-CE2 4.25Å; Y371-F392 HydrophobicContact CG-CZ 4.01Å; Y371-F392 PolarHBondContact O-N 3.36Å; V373-F392 HydrophobicContact CG2-CD1 3.89Å; V373-F392 HydrophobicContact CG2-CE1 3.76Å; F392-L394 HydrophobicContact CE2-CB 4.11Å
393T96.8Very high85.1Confident26 Ų2655.4 Ų55.416%0.1632%0.318CS..EExtended strand (participates in β ladder)trans-103.1123.4178.1-620000110.2E253 K254 Y255 S353 I355E253-T393 PolarHBondContact O-N 2.79Å; K254-T393 CarbonylContact C-O 3.56Å; K254-T393 WeakPolarHBondContact CA-O 3.32Å; K254-T393 HydrophobicContact CG-CG2 4.44Å; Y255-T393 PolarHBondContact N-O 2.96Å; S353-T393 WeakPolarHBondContact OG-CA 3.44Å; I355-T393 HydrophobicContact CD1-CG2 4.37Å
394L97.6Very high82.9Confident2 Ų258.5 Ų58.51%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-101.4129.9170.4-173.666.9000109.2Y255 L350 S352 S353 Y371 F392Y255-L394 WeakPolarHBondContact O-CA 3.24Å; L350-L394 HydrophobicContact CB-CD2 4.19Å; L350-L394 HydrophobicContact CD1-CD2 4.33Å; S352-L394 CarbonylContact C-O 3.5Å; S352-L394 VanDerWaalsContact CA-O 3.29Å; S352-L394 WeakPolarHBondContact CA-O 3.23Å; S352-L394 WeakPolarHBondContact CB-O 3.4Å; S353-L394 PolarHBondContact N-O 2.83Å; S353-L394 PolarHBondContact OG-N 3.19Å; Y371-L394 HydrophobicContact CD1-CD2 4.43Å; Y371-L394 HydrophobicContact CD2-CB 3.77Å; Y371-L394 HydrophobicContact CD2-CD2 4.43Å; Y371-L394 HydrophobicContact CE1-CD2 3.86Å; Y371-L394 HydrophobicContact CE2-CB 3.79Å; Y371-L394 HydrophobicContact CE2-CD2 3.86Å; Y371-L394 HydrophobicContact CE2-CG 4.45Å; Y371-L394 HydrophobicContact CG-CB 4.29Å; F392-L394 HydrophobicContact CE2-CB 4.11Å
395T96.5Very high80Confident0 Ų058 Ų580%034%0.338CS..EExtended strand (participates in β ladder)trans-146169.2-174.2-162.80000112.7T219 A221 Y255 Y256 H257T219-T395 PolarHBondContact O-OG1 3.02Å; A221-T395 HydrophobicContact CB-CG2 4.05Å; A221-T395 PolarHBondContact N-OG1 3Å; A221-T395 VanDerWaalsContact N-OG1 3.12Å; Y255-T395 PolarHBondContact O-N 2.88Å; Y256-T395 CarbonylContact C-O 3.56Å; Y256-T395 VanDerWaalsContact CA-O 3.29Å; Y256-T395 WeakPolarHBondContact CA-O 3.36Å; Y256-T395 HydrophobicContact CD1-CG2 3.48Å; Y256-T395 VanDerWaalsContact CD1-CG2 3.48Å; Y256-T395 HydrophobicContact CE1-CG2 3.51Å; H257-T395 PolarHBondContact CD2-O 2.98Å; H257-T395 PolarHBondContact N-O 2.96Å
396H94.8Very high77.1Confident17 Ų1761.9 Ų61.98%0.07936%0.363CS..PPolyproline II helixtrans-72.5148.9173.7-86.7-82.7000111T219 Y220 Y256 H257 D340 S352T219-H396 WeakPolarHBondContact O-CB 3.08Å; T219-H396 PolarHBondContact O-N 2.94Å; T219-H396 VanDerWaalsContact O-N 3.1Å; Y220-H396 VanDerWaalsContact CD2-O 3.31Å; Y220-H396 WeakPolarHBondContact CD2-O 3.49Å; Y256-H396 WeakPolarHBondContact CD1-O 3.4Å; Y256-H396 VanDerWaalsContact CE1-O 3.29Å; Y256-H396 WeakPolarHBondContact CE1-O 3.45Å; H257-H396 AromaticContact CD2-CD2 3.79Å; H257-H396 AromaticContact CD2-CE1 3.71Å; H257-H396 AromaticContact CD2-CG 3.83Å; H257-H396 AromaticContact CD2-ND1 3.78Å; H257-H396 AromaticContact CD2-NE2 3.7Å; H257-H396 AromaticContact NE2-CD2 3.84Å; H257-H396 AromaticContact NE2-NE2 3.78Å; D340-H396 IonicContact OD2-CE1 2.71Å; D340-H396 PolarHBondContact OD2-CE1 3.22Å; D340-H396 IonicContact OD2-NE2 2.81Å; D340-H396 PolarHBondContact OD2-NE2 3.02Å; S352-H396 PolarHBondContact OG-CD2 2.85Å
397P91.7Very high74.1Confident65 Ų6567.6 Ų67.642%0.42240%0.404SS..PPolyproline II helixtrans-64164.1172.330.1-35.6000111Y256Y256-P397 HydrophobicContact CD1-CB 4.43Å; Y256-P397 HydrophobicContact CG-CB 4.37Å
398K86.4Confident71Confident127 Ų12769.8 Ų69.855%0.55242%0.419SS*.PPolyproline II helixtrans-58.6128.5172.6-170.2-178.8176.7-176.40108.4Y220 D400Y220-K398 HydrophobicContact CD2-CB 4.32Å; Y220-K398 HydrophobicContact CE1-CB 4.48Å; Y220-K398 HydrophobicContact CE1-CG 4.22Å; Y220-K398 HydrophobicContact CE2-CB 3.57Å; Y220-K398 HydrophobicContact CE2-CG 4.2Å; Y220-K398 VanDerWaalsContact CE2-N 3.34Å; K398-D400 PolarHBondContact O-N 3.46Å
399P78Confident68Low58 Ų5878 Ų7838%0.37745%0.454SS..PPolyproline II helixtrans-59.3133.8171.722.6-31.1000109.3I36 S401I36-P399 HydrophobicContact CB-CG 4.44Å; I36-P399 HydrophobicContact CG1-CB 4.31Å; I36-P399 HydrophobicContact CG1-CG 4.04Å; I36-P399 HydrophobicContact CG2-CG 4.32Å; P399-S401 PolarHBondContact O-N 3.37Å; P399-S401 VanDerWaalsContact O-N 3.07Å
400D70.1Confident64.9Low156 Ų15683 Ų8383%0.83448%0.481SS*.PPolyproline II helixtrans-56.8118.6172.6-67-40000107.5K398 E402K398-D400 PolarHBondContact O-N 3.46Å; D400-E402 VanDerWaalsContact C-N 3.3Å; D400-E402 PolarHBondContact O-N 2.97Å
401S53.6Low61.8Low92 Ų9287.2 Ų87.264%0.64351%0.507SS*.  trans-64.397.1170.7-58.90000106.9P399 V403P399-S401 PolarHBondContact O-N 3.37Å; P399-S401 VanDerWaalsContact O-N 3.07Å; S401-V403 PolarHBondContact O-N 3.43Å
402E46.1Very low58.8Low140 Ų14090.7 Ų90.765%0.65452%0.52SS*.  trans-52.7121.4167.9-74.2-166.8172.800107D400 N404D400-E402 VanDerWaalsContact C-N 3.3Å; D400-E402 PolarHBondContact O-N 2.97Å; E402-N404 PolarHBondContact O-N 3.45Å
403V33.9Very low55.9Low142 Ų14297 Ų9786%0.86155%0.554SS**SBendtrans-66.283.2179.2178.80000107.5S401S401-V403 PolarHBondContact O-N 3.43Å
404N35.9Very low53.1Low86 Ų86102.6 Ų102.646%0.4658%0.583SS.*  trans-137.6116.9168.2-88.7-32.7000107.7E402E402-N404 PolarHBondContact O-N 3.45Å
405G28.9Very low50.8Low53 Ų53109.9 Ų109.955%0.54662%0.622SS.*SBendtrans-52.5153.8-173.700000114.4
406T30.4Very low48Very low122 Ų122117 Ų11775%0.74866%0.66SS**  trans70.269.9169.764.40000116.5S408T406-S408 PolarHBondContact O-N 3.02Å
407S32.1Very low45.4Very low125 Ų125123.1 Ų123.187%0.87469%0.693SS**  trans-70.790.9133-67.40000107K409S407-K409 PolarHBondContact O-N 3.34Å
408S30.6Very low42.6Very low97 Ų97125.8 Ų125.868%0.67871%0.708SS**  trans-64.488.9162.347.70000107.3T406 L410T406-S408 PolarHBondContact O-N 3.02Å; S408-L410 VanDerWaalsContact C-N 3.29Å; S408-L410 PolarHBondContact O-N 2.96Å
409K33.9Very low40.3Very low182 Ų182127.1 Ų127.179%0.79172%0.72SS**  trans-57.7102.3156.5-173.7-178.8-178.4-172.60105.1S407 V411S407-K409 PolarHBondContact O-N 3.34Å; K409-V411 VanDerWaalsContact C-N 3.27Å; K409-V411 HydrophobicContact CG-CG2 4.48Å; K409-V411 PolarHBondContact O-N 2.8Å
410L34.1Very low38.3Very low157 Ų157133 Ų13382%0.82274%0.742SS**  trans-61.895.4170.1-74.4163.7000106.9S408S408-L410 VanDerWaalsContact C-N 3.29Å; S408-L410 PolarHBondContact O-N 2.96Å
411V32.4Very low36.5Very low93 Ų93130.7 Ų130.756%0.56474%0.736SS**  trans-82.4111.6157.1-177.30000104.1K409 D413K409-V411 VanDerWaalsContact C-N 3.27Å; K409-V411 HydrophobicContact CG-CG2 4.48Å; K409-V411 PolarHBondContact O-N 2.8Å; V411-D413 VanDerWaalsContact C-N 3.29Å; V411-D413 PolarHBondContact O-N 2.8Å; V411-D413 VanDerWaalsContact O-N 3.13Å
412I33.7Very low35.8Very low155 Ų155134.9 Ų134.980%0.79575%0.75SS**  trans-7594166.4-58.8173.5000104.3
413D37.3Very low35Very low142 Ų142135.7 Ų135.776%0.75976%0.758SS**  trans-84.9111.3161.8-78.6-30.8000106.8V411 D415V411-D413 VanDerWaalsContact C-N 3.29Å; V411-D413 PolarHBondContact O-N 2.8Å; V411-D413 VanDerWaalsContact O-N 3.13Å; D413-D415 PolarHBondContact O-N 3.08Å
414D37.7Very low34.9Very low144 Ų144135.8 Ų135.877%0.7776%0.759SS**  trans-74101.8168.3-159.717.3000106.1
415D49.2Very low34.7Very low154 Ų154134.6 Ų134.682%0.82477%0.768SS**  trans175.1133145.8-88.7-34.3000112.1D413D413-D415 PolarHBondContact O-N 3.08Å
416N37.2Very low34.9Very low150 Ų150138.2 Ų138.280%0.80278%0.779SS**  trans-67.3135.7178.3-66.6-69.4000112.4
417D39.9Very low35.1Very low146 Ų146139.3 Ų139.378%0.78178%0.781SS**  166.4108.6119.6-94.3-25.4000113.4
418V34.2Very low35.2Very low121 Ų121139.9 Ų139.973%0.73377%0.774SS**  44.7120.7124.2-1750000121
419L36.5Very low35.3Very low154 Ų154144.9 Ų144.981%0.80678%0.778SS**  trans103.598148.6-76.9161000122.2
420H36.4Very low35.6Very low182 Ų182144.2 Ų144.284%0.84378%0.782SS**  trans31.5153.5131.9-78.8-79.4000125.4
421P33.6Very low35.6Very low108 Ų108145.9 Ų145.970%0.70178%0.783SS**  trans-105.9155.6-144.140.1-33.4000115.4
422L37.2Very low35.7Very low180 Ų180149.1 Ų149.194%0.94280%0.796SS**  trans-131.1129.6167.6-81.9165.5000112
423L29.7Very low35.8Very low156 Ų156147.2 Ų147.282%0.81780%0.797SS**  trans-69.8167.4174.1-70.5158.8000112.1
424T31.9Very low35.4Very low144 Ų144149.1 Ų149.188%0.88380%0.802SS**  trans99.3131.9151.274.30000118
425G31.2Very low35.3Very low62 Ų62150.3 Ų150.364%0.63980%0.802SS**  trans122.786.1137.400000118.2
426T33.1Very low34.5Very low129 Ų129149.2 Ų149.279%0.79180%0.795SS**  56.4123.512955.80000121.7
427D34.6Very low34.2Very low145 Ų145149.5 Ų149.578%0.77580%0.796SS**  trans43124133.7-63.6-37.5000119.3
428D35.7Very low33.7Very low136 Ų136150.1 Ų150.173%0.72779%0.794SS**  176.1150.892.2-123.5-23.4000113
429R32.7Very low33.4Very low203 Ų203151.9 Ų151.977%0.76679%0.794SS**  trans67.5114147-69167.3165-147.1-9120.5
430L40.1Very low33.2Very low167 Ų167150.4 Ų150.487%0.87480%0.796SS**  178123.287.1-106.3125.5000111.8
431K32.3Very low32.8Very low193 Ų193149.8 Ų149.884%0.83979%0.794SS**  trans-77.5143163.6-67.4172.4175.51760109
432N34.6Very low32.8Very low160 Ų160152.7 Ų152.786%0.85680%0.803SS**  trans-162122.5130.2-113.3-5.9000115.2
433S35.9Very low32.5Very low116 Ų116151.1 Ų151.181%0.81179%0.79SS**  trans78116.5137.3-111.10000123.5
434Q30.6Very low32.6Very low182 Ų182149.5 Ų149.585%0.8579%0.792SS**  trans-75.5155.1163.1-56.5168.4-3.800111.2
435H34.6Very low32.4Very low169 Ų169149.5 Ų149.578%0.78279%0.786SS**  trans-164.8114.8132.4-131.4-122.3000114.5
436I32.6Very low32.4Very low131 Ų131156.2 Ų156.267%0.67280%0.801SS**  81.7124.7128.5-69.7-164.3000123.5
437L31.3Very low32.2Very low156 Ų156158.5 Ų158.582%0.81780%0.803SS**  trans-63.8159.1166-68.6107.4000114
438Q28.5Very low32Very low158 Ų158157.4 Ų157.474%0.73880%0.801SS**  154.5136.4102.4-170157.154.900114.1
439Q28.1Very low31.8Very low158 Ų158155.8 Ų155.874%0.73880%0.8SS**  trans73.8114.8152.9-82.2160.929.100121.2
440S33.1Very low31.7Very low123 Ų123150.2 Ų150.286%0.8679%0.793SS**  -176.5125.195.638.40000112
441Q27.7Very low31.2Very low169 Ų169148.6 Ų148.679%0.7979%0.785SS**  trans-89146.4166-69.6176.5-5.800109.1
442L33.8Very low31.3Very low169 Ų169148.4 Ų148.489%0.88579%0.787SS**  trans-153108.5143.8-86.9-176.3000111.9
443H30.6Very low30.9Very low148 Ų148147.4 Ų147.469%0.68578%0.782SS**  trans10.3135.5141.8-65.183.5000121.6
444S32.1Very low30.8Very low121 Ų121148.3 Ų148.385%0.84678%0.782SS**  -174.9139.497.433.90000112.6
445N26.2Very low30.6Very low144 Ų144146.2 Ų146.277%0.7778%0.776SS**  trans-76155.9179.6-68.9-34.5000112.2
446E32.5Very low30.5Very low204 Ų204144.5 Ų144.595%0.95378%0.778SS**  -158.2150.3124.6-112175.1156.400111.8
447Q28Very low30.5Very low176 Ų176143.3 Ų143.382%0.82278%0.777SS**  trans-121.9-173.9-150.7-162.6176.2-11.500108.9
448V31.6Very low30.8Very low122 Ų122142 Ų14274%0.73977%0.771SS**  trans9992.1162.9-1700000113.1
449S31.2Very low31.2Very low102 Ų102141.3 Ų141.371%0.71377%0.772SS**  69.8148.882.480.30000113.2
450S30Very low31.6Very low87 Ų87140.8 Ų140.861%0.60877%0.774SS**  cis-176.5154.20.434.20000106.6
451D29.7Very low31.8Very low133 Ų133142.4 Ų142.471%0.71177%0.771SS**  trans54.6123.5147.1-49.4-26.9000122.3
452H34.7Very low32Very low189 Ų189143.5 Ų143.588%0.87577%0.773SS**  178.7147.199.5-97.8-15.6000113.8
453N27.1Very low32.1Very low139 Ų139144.2 Ų144.274%0.74378%0.777SS**  trans-108.3122.8-173.1177.324.7000108
454V33.3Very low32.3Very low134 Ų134144.2 Ų144.281%0.81278%0.782SS**  trans-148.8119.2161.8-177.60000110.6
455N25.6Very low32.5Very low138 Ų138146.3 Ų146.374%0.73878%0.784SS**  trans-61.5140.3165-71.7-31000111.7
456T33.5Very low32.8Very low133 Ų133142.9 Ų142.982%0.81678%0.783SS**  trans-152.1137.5137-470000109.8
457T31.5Very low32.7Very low107 Ų107140.2 Ų140.266%0.65677%0.773SS**  trans-81.3158.2-174.751.40000112.3
458D37.7Very low33Very low129 Ų129139.2 Ų139.269%0.6977%0.774SS**  155.2120.5124.3-74.5-10.3000111.2
459D36.7Very low33.2Very low143 Ų143139.5 Ų139.577%0.76577%0.771SS**  trans55.5133.8130.1-58.9-14.5000119
460L36.1Very low33.3Very low146 Ų146142.8 Ų142.876%0.76478%0.781SS**  cis-174.7156.523.2-161.173.9000108.3
461I37.5Very low33.6Very low157 Ų157146 Ų14681%0.80578%0.783SS**  trans126.6107.5145.9-59.8161.3000114.1
462K31.7Very low33.6Very low193 Ų193146 Ų14684%0.83979%0.789SS**  trans-73.9142.6-177.4-62.9171.1172.8-179.50112.6
463L37.4Very low33.6Very low184 Ų184145.5 Ų145.596%0.96378%0.781SS**  trans-133.4124.6140-77.1174.8000108.3
464D33.5Very low33.7Very low147 Ų147146.8 Ų146.879%0.78679%0.787SS**  trans-77135.3-171-159.97.3000111
465D37Very low33.9Very low165 Ų165146.2 Ų146.288%0.88278%0.783SS**  trans-176.699143.1-97.5-17.7000110.2
466G32.4Very low34.1Very low73 Ų73144.9 Ų144.975%0.75378%0.784SS**  75.48112800000119.2
467I31.4Very low34Very low148 Ų148145.8 Ų145.876%0.75978%0.784SS**  trans-37.3132.9157-69.3156.2000113.8
468N33.7Very low34Very low155 Ų155148.1 Ų148.183%0.82980%0.798SS**  -155.6134.5122-140.3-5.2000112.9
469D36.3Very low33.7Very low127 Ų127145.3 Ų145.368%0.67980%0.8SS**  trans-73.7145.2-162.1-61.2-50.5000114.6K471D469-K471 PolarHBondContact O-N 3.49Å
470N33.4Very low33.2Very low172 Ų172143 Ų14392%0.9281%0.81SS**  trans-64.691.4164.8-79.3-23.3000110.1
471K35Very low33.1Very low153 Ų153138.6 Ų138.667%0.66580%0.8SS**  trans-104.4102.4161.7-108.1177.2179.1167.40109.6D469 Y473D469-K471 PolarHBondContact O-N 3.49Å; K471-Y473 HydrophobicContact CB-CD2 4.05Å; K471-Y473 HydrophobicContact CB-CE2 3.67Å; K471-Y473 HydrophobicContact CD-CE2 4.13Å; K471-Y473 HydrophobicContact CG-CE2 4.44Å; K471-Y473 WeakPolarHBondContact O-CD2 3.38Å; K471-Y473 PolarHBondContact O-N 2.86Å; K471-Y473 VanDerWaalsContact O-N 3.07Å
472T30.6Very low33.3Very low135 Ų135139.4 Ų139.483%0.82880%0.804SS**  trans-64.4100.2161.8-51.70000107.9L474T472-L474 PolarHBondContact O-N 2.91Å
473Y33.7Very low34.3Very low178 Ų178135.2 Ų135.270%0.69879%0.79SS**  trans-81.5101.3170.5-78.1-86.2000109.1K471K471-Y473 HydrophobicContact CB-CD2 4.05Å; K471-Y473 HydrophobicContact CB-CE2 3.67Å; K471-Y473 HydrophobicContact CD-CE2 4.13Å; K471-Y473 HydrophobicContact CG-CE2 4.44Å; K471-Y473 WeakPolarHBondContact O-CD2 3.38Å; K471-Y473 PolarHBondContact O-N 2.86Å; K471-Y473 VanDerWaalsContact O-N 3.07Å
474L30.2Very low35.1Very low166 Ų166130.3 Ų130.387%0.86977%0.765SS**  trans-77.2109.6154.8-86.4165.3000107T472T472-L474 PolarHBondContact O-N 2.91Å
475V37Very low36.3Very low122 Ų122125.4 Ų125.474%0.73974%0.739SS**  trans-97.6106.7166.7179.60000107.1
476S28.9Very low37.7Very low109 Ų109123.9 Ų123.976%0.76273%0.731SS**  trans-81.6114.8169.750.60000109.3
477N33.2Very low40.3Very low153 Ų153122.5 Ų122.582%0.81871%0.706SS**  trans-118.8126.7163-115.832.5000109.6G479N477-G479 PolarHBondContact O-N 2.96Å
478V29.9Very low43Very low155 Ų155115.9 Ų115.994%0.93967%0.672SS**  trans-76115.4178.9174.90000108.3
479G32.5Very low45.8Very low71 Ų71112.2 Ų112.273%0.73265%0.652SS**  trans179.4112.817400000110.7N477 G481N477-G479 PolarHBondContact O-N 2.96Å; G479-G481 PolarHBondContact O-N 2.85Å
480G26.6Very low48.5Very low95 Ų95109.2 Ų109.298%0.97963%0.633SS**  trans-70.9123.5-17200000114
481G33.7Very low51.4Low53 Ų53103.6 Ų103.655%0.54660%0.601SS.*  trans179.912316700000106.9G479 D483G479-G481 PolarHBondContact O-N 2.85Å; G481-D483 PolarHBondContact O-N 3.17Å
482I41Very low54.2Low174 Ų174101.2 Ų101.289%0.89260%0.596SS**  trans-76.878.1177.9-59.4170.6000106.6
483D52.4Low57.2Low104 Ų10495.2 Ų95.256%0.55656%0.558SS**  trans-86.6109.4176.1-75.6-15.2000108.2G481 D485G481-D483 PolarHBondContact O-N 3.17Å; D483-D485 PolarHBondContact O-N 3.29Å
484D55.8Low59.9Low81 Ų8189.5 Ų89.543%0.43355%0.548SS..G310 helixtrans-59.32170.2-93.7-30.2000112.4K11 R150K11-D484 IonicContact NZ-OD1 3.58Å; K11-D484 PolarHBondContact NZ-OD1 2.93Å; R150-D484 PolarHBondContact NH2-O 3.3Å
485D57Low62.8Low44 Ų4482.6 Ų82.624%0.23551%0.51CS..G310 helixtrans-85.6-16.7-172.7-72-32.7000114.9R150 K153 D483 D487R150-D485 IonicContact NE-OD1 2.74Å; K153-D485 WeakPolarHBondContact CE-OD2 3.32Å; K153-D485 IonicContact NZ-OD2 2.73Å; K153-D485 PolarHBondContact NZ-OD2 2.84Å; D483-D485 PolarHBondContact O-N 3.29Å; D485-D487 VanDerWaalsContact C-N 3.35Å; D485-D487 PolarHBondContact O-N 3.27Å
486D66.3Low65.3Low134 Ų13482 Ų8272%0.71750%0.502SS*.G310 helixtrans-84.6-4.9-175.7-80.8-26.7000114.8L488D486-L488 VanDerWaalsContact C-N 3.27Å; D486-L488 PolarHBondContact O-N 3.26Å
487D87.3Confident68.1Low43 Ų4385.3 Ų85.323%0.2350%0.498CS..G310 helixtrans-78.5-1.4-174.787.90.2000115.1G13 T14 R150 D485 I489G13-D487 CarbonylContact C-O 3.45Å; G13-D487 WeakPolarHBondContact CA-O 2.85Å; T14-D487 PolarHBondContact N-O 3.36Å; T14-D487 VanDerWaalsContact N-O 3.09Å; T14-D487 PolarHBondContact N-OD1 2.81Å; T14-D487 PolarHBondContact OG1-OD1 3.34Å; R150-D487 IonicContact CZ-OD1 2.75Å; R150-D487 IonicContact NH1-OD1 3.72Å; R150-D487 PolarHBondContact NH1-OD1 3.38Å; R150-D487 IonicContact NH2-OD1 3.25Å; R150-D487 PolarHBondContact NH2-OD1 3.17Å; D485-D487 VanDerWaalsContact C-N 3.35Å; D485-D487 PolarHBondContact O-N 3.27Å; D487-I489 PolarHBondContact O-N 2.92Å
488L89.8Confident70.5Confident9 Ų981.2 Ų81.25%0.04748%0.476CS..PPolyproline II helixtrans-68.1117.7-179.3-62.9-176.8000111.4T14 V16 R150 L151 K154 D486T14-L488 HydrophobicContact CG2-CD2 4.15Å; T14-L488 WeakPolarHBondContact O-CA 3.34Å; V16-L488 HydrophobicContact CG2-CD2 4.13Å; R150-L488 HydrophobicContact CB-CD1 4.25Å; L151-L488 HydrophobicContact CD2-CD1 3.93Å; L151-L488 HydrophobicContact CG-CD1 4.37Å; K154-L488 HydrophobicContact CB-CD1 4.37Å; K154-L488 HydrophobicContact CD-CB 3.93Å; K154-L488 HydrophobicContact CD-CD1 3.72Å; K154-L488 HydrophobicContact CD-CG 4.26Å; K154-L488 PolarHBondContact NZ-O 2.56Å; D486-L488 VanDerWaalsContact C-N 3.27Å; D486-L488 PolarHBondContact O-N 3.26Å
489I91.4Very high72.8Confident78 Ų7883 Ų8340%0.447%0.471SS..EExtended strand (participates in β ladder)trans-103.3116.6176.6-60.1169.5000109T14 R15 V16 D487 E491T14-I489 PolarHBondContact O-N 3.2Å; R15-I489 CarbonylContact C-O 3.56Å; R15-I489 WeakPolarHBondContact CA-O 3.29Å; V16-I489 PolarHBondContact N-O 2.68Å; D487-I489 PolarHBondContact O-N 2.92Å; I489-E491 HydrophobicContact CG2-CG 4.37Å
490F92.9Very high74.2Confident64 Ų6484.9 Ų84.928%0.28147%0.473SS..EExtended strand (participates in β ladder)trans-88.2126.9178.4-63.4-64.5000112.1V16 K18 Y29 L151 K154 L155V16-F490 HydrophobicContact CB-CD1 3.96Å; V16-F490 HydrophobicContact CB-CE1 4.2Å; V16-F490 HydrophobicContact CG1-CD1 4.17Å; V16-F490 HydrophobicContact CG1-CE1 4.22Å; V16-F490 CarbonylContact O-C 3.53Å; V16-F490 WeakPolarHBondContact O-CA 3.49Å; K18-F490 HydrophobicContact CD-CB 4.16Å; K18-F490 HydrophobicContact CD-CG 4.48Å; Y29-F490 AromaticContact CD1-CD1 3.91Å; Y29-F490 HydrophobicContact CD1-CD1 3.91Å; Y29-F490 AromaticContact CD1-CE1 3.69Å; Y29-F490 HydrophobicContact CD1-CE1 3.69Å; Y29-F490 AromaticContact CE1-CD1 3.84Å; Y29-F490 HydrophobicContact CE1-CD1 3.84Å; Y29-F490 AromaticContact CE1-CE1 3.66Å; Y29-F490 HydrophobicContact CE1-CE1 3.66Å; Y29-F490 HydrophobicContact CE1-CZ 4.31Å; L151-F490 HydrophobicContact CD2-CE1 3.75Å; L151-F490 HydrophobicContact CD2-CZ 4.22Å; K154-F490 HydrophobicContact CD-CE2 3.99Å; K154-F490 HydrophobicContact CD-CZ 3.93Å; K154-F490 HydrophobicContact CG-CZ 4.41Å; L155-F490 HydrophobicContact CD2-CZ 4.17Å
491E93.4Very high75.3Confident55 Ų5590.5 Ų90.526%0.25747%0.466SS..EExtended strand (participates in β ladder)trans-121154.5177.7-62.8-174.9177.400110.7R15 V16 F17 K18 I489R15-E491 WeakPolarHBondContact CD-OE1 3Å; R15-E491 IonicContact CZ-OE1 3.29Å; R15-E491 IonicContact NE-OE1 3.4Å; R15-E491 IonicContact NH1-OE1 3.61Å; R15-E491 PolarHBondContact NH1-OE1 2.66Å; R15-E491 IonicContact NH1-OE2 3.57Å; V16-E491 PolarHBondContact O-N 2.85Å; F17-E491 CarbonylContact C-O 3.54Å; F17-E491 VanDerWaalsContact CA-O 3.32Å; F17-E491 WeakPolarHBondContact CA-O 3.11Å; F17-E491 HydrophobicContact CD1-CB 4.16Å; F17-E491 HydrophobicContact CE1-CB 4.34Å; K18-E491 PolarHBondContact N-O 3.36Å; I489-E491 HydrophobicContact CG2-CG 4.37Å
492D93.8Very high75.4Confident103 Ų10397 Ų9755%0.55148%0.482SS*.EExtended strand (participates in β ladder)trans-69.6141.7171.4-169.7-89.8000110.3A494D492-A494 PolarHBondContact O-N 3.2Å; D492-A494 WeakPolarHBondContact OD1-CA 3.47Å; D492-A494 WeakPolarHBondContact OD1-CB 3.41Å; D492-A494 PolarHBondContact OD1-N 3.23Å
493F94.1Very high75.2Confident8 Ų893 Ų934%0.03547%0.469CS..SBendtrans-65.8-22.6179.9-174.4-92.8000113.8F17 K18 K19 L30 R33 L213 A214 I215 R495F17-F493 HydrophobicContact CB-CB 4.26Å; F17-F493 HydrophobicContact CB-CD2 3.79Å; F17-F493 HydrophobicContact CB-CG 4.49Å; F17-F493 HydrophobicContact CG-CD2 4.39Å; K18-F493 PolarHBondContact O-N 3.43Å; K19-F493 HydrophobicContact CB-CB 4.31Å; L30-F493 HydrophobicContact CD1-CD2 4.37Å; L30-F493 HydrophobicContact CD1-CE2 3.79Å; R33-F493 HydrophobicContact CB-CE2 3.88Å; R33-F493 HydrophobicContact CB-CZ 4.05Å; R33-F493 VanDerWaalsContact CD-O 3.25Å; R33-F493 WeakPolarHBondContact CD-O 3.34Å; R33-F493 HydrophobicContact CG-CD2 3.8Å; R33-F493 HydrophobicContact CG-CE2 3.51Å; R33-F493 HydrophobicContact CG-CZ 4.06Å; R33-F493 PolarHBondContact NH1-O 3.3Å; R33-F493 VanDerWaalsContact NH1-O 3.12Å; L213-F493 HydrophobicContact CB-CD1 4.25Å; L213-F493 HydrophobicContact CB-CE1 3.83Å; L213-F493 HydrophobicContact CB-CE2 4.18Å; L213-F493 HydrophobicContact CB-CZ 3.78Å; L213-F493 HydrophobicContact CD2-CB 3.63Å; L213-F493 HydrophobicContact CD2-CD1 3.34Å; L213-F493 HydrophobicContact CD2-CD2 3.63Å; L213-F493 HydrophobicContact CD2-CE1 3.81Å; L213-F493 HydrophobicContact CD2-CE2 4.05Å; L213-F493 HydrophobicContact CD2-CG 3.24Å; L213-F493 HydrophobicContact CD2-CZ 4.14Å; L213-F493 HydrophobicContact CG-CD1 4.42Å; L213-F493 HydrophobicContact CG-CE1 4.47Å; L213-F493 HydrophobicContact CG-CG 4.46Å; A214-F493 VanDerWaalsContact O-CE1 3.27Å; A214-F493 WeakPolarHBondContact O-CE1 3.39Å; A214-F493 VanDerWaalsContact O-CZ 3.26Å; A214-F493 WeakPolarHBondContact O-CZ 3.45Å; I215-F493 HydrophobicContact CG2-CE2 4.22Å; I215-F493 HydrophobicContact CG2-CZ 3.82Å; F493-R495 PolarHBondContact O-N 3.47Å
494A91.2Very high74.6Confident59 Ų5995.9 Ų95.949%0.48849%0.485SS..SBendtrans-53.9131.9-178.500000111.6R33 D492R33-A494 PolarHBondContact NH1-O 2.9Å; D492-A494 PolarHBondContact O-N 3.2Å; D492-A494 WeakPolarHBondContact OD1-CA 3.47Å; D492-A494 WeakPolarHBondContact OD1-CB 3.41Å; D492-A494 PolarHBondContact OD1-N 3.23Å
495R91.1Very high73.7Confident21 Ų21101.2 Ų101.28%0.07951%0.505CS..PPolyproline II helixtrans-72.9138.6173.8-77.7173.4173.175.2-11.4109.7R33 D34 A214 H345 D347 F493 R497R33-R495 PolarHBondContact O-NH2 3.02Å; D34-R495 IonicContact OD1-CZ 2.7Å; D34-R495 IonicContact OD1-NH2 3.64Å; D34-R495 PolarHBondContact OD1-NH2 3.21Å; A214-R495 PolarHBondContact O-NH1 2.9Å; H345-R495 HydrophobicContact CB-CB 4.15Å; H345-R495 WeakPolarHBondContact ND1-CD 3.33Å; D347-R495 IonicContact OD1-NE 3.67Å; D347-R495 WeakPolarHBondContact OD2-CD 3.3Å; D347-R495 IonicContact OD2-NE 3.46Å; D347-R495 PolarHBondContact OD2-NE 2.89Å; F493-R495 PolarHBondContact O-N 3.47Å; R495-R497 PolarHBondContact O-N 2.94Å
496L89.2Confident72.7Confident109 Ų109110.9 Ų110.957%0.57154%0.538SS*.PPolyproline II helixtrans-58.9133.4172.4-70.7174000108.9E346E346-L496 HydrophobicContact CG-CB 3.89Å; E346-L496 PolarHBondContact N-O 3.34Å; E346-L496 VanDerWaalsContact N-O 3.17Å; E346-L496 WeakPolarHBondContact OE1-CB 3.05Å; E346-L496 WeakPolarHBondContact OE1-CD1 3.28Å; E346-L496 WeakPolarHBondContact OE2-CB 3.24Å
497R88.2Confident71.5Confident178 Ų178113.1 Ų113.167%0.67255%0.546SS*.BIsolated β-bridgetrans-91.2142.5178.9-71-173.2175.694.3-8.7108.8K344 R495K344-R497 WeakPolarHBondContact O-CA 3.31Å; R495-R497 PolarHBondContact O-N 2.94Å
498L82.9Confident69.2Low68 Ų68118.5 Ų118.536%0.35658%0.575SS.*PPolyproline II helixtrans-62.1140.8168.9-69156000109.8R332 L343 K344 E346 S500R332-L498 VanDerWaalsContact NH2-CD1 3.27Å; L343-L498 VanDerWaalsContact O-CD1 3.27Å; L343-L498 WeakPolarHBondContact O-CD1 3.23Å; K344-L498 PolarHBondContact O-N 3.41Å; E346-L498 HydrophobicContact CB-CD2 3.98Å; E346-L498 HydrophobicContact CB-CG 4.21Å; L498-S500 PolarHBondContact O-N 2.98Å
499K78.3Confident66.8Low192 Ų192126.4 Ų126.484%0.83562%0.615SS**PPolyproline II helixtrans-63.6124.1166.8-62.2-177.2-179.2-179.60107.4Y501K499-Y501 PolarHBondContact O-N 2.81Å; K499-Y501 VanDerWaalsContact O-N 3.17Å
500S60.9Low64.3Low110 Ų110127 Ų12777%0.76963%0.631SS**PPolyproline II helixtrans-60.2116.7169.239.40000108.2L498 E502L498-S500 PolarHBondContact O-N 2.98Å; S500-E502 PolarHBondContact O-N 2.88Å
501Y51Low61.6Low213 Ų213131.5 Ų131.584%0.83566%0.659SS**PPolyproline II helixtrans-68.9116.7164-91.3-92.2000107.2K499 S503K499-Y501 PolarHBondContact O-N 2.81Å; K499-Y501 VanDerWaalsContact O-N 3.17Å; Y501-S503 PolarHBondContact O-N 2.66Å
502E36.3Very low59.1Low189 Ų189133.9 Ų133.988%0.88368%0.682SS**  trans-68.982.5163.2-73.7-174147.900108.3S500S500-E502 PolarHBondContact O-N 2.88Å
503S36.4Very low56.6Low90 Ų90134.2 Ų134.263%0.62969%0.692SS**  trans-122.372.7168.157.50000107.7Y501Y501-S503 PolarHBondContact O-N 2.66Å
504D38.5Very low54Low166 Ų166141 Ų14189%0.88873%0.734SS**SBendtrans-169.330.5163.8-95.9-19.9000113.6
505K37Very low51.4Low193 Ų193142.9 Ų142.984%0.83975%0.75SS**SBendtrans-141.866171.8-71.4-171.9-178.5176.90112
506R36.4Very low48.8Very low246 Ų246149.6 Ų149.693%0.92879%0.787SS**  trans-169.365.4162.6-110-180-163.4-171.85.3110.4
507M40.5Very low46.3Very low182 Ų182149.2 Ų149.290%0.89779%0.791SS**SBendtrans-15266.5158.6-97.9-167-77.900106.9
508D39.6Very low43.8Very low156 Ų156146.5 Ų146.583%0.83480%0.795SS**SBendtrans-162.8125161.1-84.9-38.2000106.7
509I40.4Very low41.8Very low175 Ų175150.3 Ų150.390%0.89782%0.821SS**  trans84.889.7169.9-45.6164.8000117
510A38.1Very low39.7Very low89 Ų89146.1 Ų146.174%0.73681%0.811SS**  trans157.4118.4147.100000105.9
511D37Very low38.8Very low159 Ų159148.7 Ų148.785%0.8581%0.813SS**  cis-145.3132.941.1-90.3-38.5000111.6
512S40.6Very low38.4Very low106 Ų106144.6 Ų144.674%0.74181%0.806SS**  trans-77.2149.2152.953.50000110
513S40.4Very low38.7Very low110 Ų110142.2 Ų142.277%0.76980%0.798SS**  trans89.699.3162.780.30000117.2
514T39.2Very low38.8Very low149 Ų149144.7 Ų144.791%0.91480%0.804SS**  -159.6119.6123.710.80000107.8
515A37.5Very low39.1Very low99 Ų99143 Ų14382%0.81880%0.8SS**  trans-80.8141.2-17900000110.2
516D35.9Very low39.6Very low162 Ų162138.3 Ų138.387%0.86679%0.789SS**  trans-150.2126.1148.4-140.1-1.1000108.8
517P37.9Very low39.8Very low101 Ų101134.1 Ų134.166%0.65679%0.785SS**  trans-102.4165.7-175.236.8-29.5000113.4
518T35.3Very low39.9Very low122 Ų122129.9 Ų129.975%0.74878%0.779SS**  trans77.2107.8155.210.50000118.3
519V40.2Very low40Very low148 Ų148128.6 Ų128.690%0.89778%0.777SS**  -154.8127.4114.5174.60000109.3
520T35.1Very low40.3Very low103 Ų103128.3 Ų128.363%0.63278%0.775SS**  trans-76159.3-177.6-20.40000113.2
521M42.4Very low40.7Very low165 Ų165129.1 Ų129.181%0.81378%0.775SS**  trans163.3103.4136.7-81.1-63.5172.100107
522N41.1Very low41.4Very low127 Ų127127.3 Ų127.368%0.67977%0.772SS**  67.3130.586.8-78.8-3000112.3
523L43Very low41.6Very low139 Ų139127.7 Ų127.773%0.72878%0.775SS**  cis-155.215712.8-114.374000103.8
524D39.3Very low42.1Very low142 Ų142128 Ų12876%0.75978%0.777SS**  -173.9154.669.6-126.8-21.2000112.1
525T44.5Very low42.8Very low129 Ų129126.3 Ų126.379%0.79177%0.771SS**  trans-87.2168.4-152.913.10000118.4
526P46.5Very low43.9Very low95 Ų95131.2 Ų131.262%0.61780%0.795SS**  trans-107.3177.5-174.541.4-30.7000114
527N42.3Very low44.3Very low159 Ų159129.7 Ų129.785%0.8579%0.791SS**  158.5157.2126.1-87.3-35000115.5
528A42.2Very low44.7Very low92 Ų92131.2 Ų131.276%0.7680%0.798SS**  trans105.983.5150.400000119.2
529V41.8Very low45.2Very low130 Ų130131.7 Ų131.779%0.78880%0.801SS**  12.3132.2119.6-171.60000117.8
530I46.6Very low45.5Very low169 Ų169130.7 Ų130.787%0.86780%0.795SS**  -173.7146.1125.2-86.5149.9000110.6
531S45.4Very low46.2Very low105 Ų105132.4 Ų132.473%0.73481%0.806SS**  trans-75177.6-160.4-25.30000117.5
532P51.4Low46.4Very low122 Ų122130.3 Ų130.379%0.79281%0.805SS**  trans-104.8160.1-166.339.5-31.3000115
533S46.7Very low46.8Very low114 Ų114130.5 Ų130.580%0.79781%0.814SS**  trans177.1127144.259.70000112.1
534S49.5Very low47.1Very low116 Ų116129.8 Ų129.881%0.81182%0.821SS**  149.6113.5129.568.10000112.5
535S54.6Low47.7Very low113 Ų113128.8 Ų128.879%0.7983%0.826SS**  trans-20.4167.8158.449.80000119.9
536P61.2Low48Very low202 Ų202128.8 Ų128.8100%1.31283%0.829SS**  cis-105.30-9.534-23.2000114.8

Retrieved 536 of 536 residues in 93.1 ms (Link to these results)

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