A0A075BLM5_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BLM5, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,046 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
1M25.5Very low47.3Very low190 Ų19098.2 Ų98.294%0.93654%0.544SS*.  0130.60-73.3178164.300107D71M1-D71 HydrophobicContact CE-CB 4.46Å; M1-D71 VanDerWaalsContact CE-OD2 3.28Å; M1-D71 WeakPolarHBondContact CE-OD2 3.21Å
2E21.8Very low49.6Very low172 Ų17299.3 Ų99.380%0.80454%0.539SS*.  trans-82.4153.2166-68172.2162.200108.8I4E2-I4 PolarHBondContact O-N 3.02Å; E2-I4 VanDerWaalsContact O-N 3.16Å
3P23.6Very low52.2Low53 Ų53101.4 Ų101.434%0.34454%0.54SS..  trans-67112.1170.128-32.5000109.3G5P3-G5 PolarHBondContact O-N 2.88Å
4I30Very low54.2Low79 Ų7998.4 Ų98.441%0.40553%0.527SS..  trans-63.9104.6178.4-60.9172.5000108.8E2 L7E2-I4 PolarHBondContact O-N 3.02Å; E2-I4 VanDerWaalsContact O-N 3.16Å; I4-L7 HydrophobicContact CG2-CD1 3.6Å; I4-L7 HydrophobicContact CG2-CG 4.18Å
5G30.8Very low55.6Low52 Ų5298.7 Ų98.754%0.53653%0.533SS..  trans-56.2152.7171.800000111.5P3 L7P3-G5 PolarHBondContact O-N 2.88Å; G5-L7 PolarHBondContact O-N 2.83Å
6N39.5Very low56.2Low114 Ų11497.1 Ų97.161%0.6153%0.532SS*.  trans-49.6110.6-173.9-72.3-69.8000111.5Q8 K42N6-Q8 PolarHBondContact O-N 3.03Å; N6-K42 PolarHBondContact OD1-NZ 3.26Å
7L52.4Low56.5Low53 Ų5396.3 Ų96.328%0.27755%0.551SS.*  trans-67.690.2177.1-86.9146.5000109.8I4 G5 V9 D34 F35 H38I4-L7 HydrophobicContact CG2-CD1 3.6Å; I4-L7 HydrophobicContact CG2-CG 4.18Å; G5-L7 PolarHBondContact O-N 2.83Å; L7-V9 VanDerWaalsContact C-N 3.28Å; L7-V9 PolarHBondContact O-N 2.78Å; L7-D34 HydrophobicContact CD1-CB 4.14Å; L7-F35 HydrophobicContact CB-CD2 4.4Å; L7-H38 HydrophobicContact CD1-CB 3.89Å
8Q58.7Low57Low190 Ų19095 Ų9589%0.88856%0.563SS**  trans-70.886.7169.1-74.4-168.8-13.100109.7N6N6-Q8 PolarHBondContact O-N 3.03Å
9V75.9Confident57.8Low21 Ų2192.7 Ų92.713%0.12755%0.549CS..  trans-82.7133.4167.4173.80000108.7L7 S11 A24 P26 F35L7-V9 VanDerWaalsContact C-N 3.28Å; L7-V9 PolarHBondContact O-N 2.78Å; V9-S11 PolarHBondContact O-N 3.45Å; V9-A24 HydrophobicContact CG1-CB 3.96Å; V9-P26 HydrophobicContact CG1-CB 4.32Å; V9-P26 HydrophobicContact CG1-CG 3.92Å; V9-P26 HydrophobicContact CG2-CB 4.42Å; V9-P26 HydrophobicContact CG2-CG 4.42Å; V9-F35 HydrophobicContact CB-CD2 4.02Å; V9-F35 HydrophobicContact CB-CE2 4.09Å; V9-F35 HydrophobicContact CB-CG 4.44Å; V9-F35 HydrophobicContact CG2-CB 3.94Å; V9-F35 HydrophobicContact CG2-CD1 4.46Å; V9-F35 HydrophobicContact CG2-CD2 3.47Å; V9-F35 VanDerWaalsContact CG2-CD2 3.47Å; V9-F35 HydrophobicContact CG2-CE2 4.06Å; V9-F35 HydrophobicContact CG2-CG 3.7Å
10P79.8Confident58.7Low76 Ų7691.1 Ų91.149%0.49454%0.541SS..  trans-52.7125.2170.3-26.234.8000110.6S25P10-S25 PolarHBondContact O-N 3.46Å
11S82Confident59.9Low80 Ų8087.2 Ų87.256%0.55952%0.517SS*.EExtended strand (participates in β ladder)trans-145.5146.5-177.564.70000112.6V9 Y23V9-S11 PolarHBondContact O-N 3.45Å; S11-Y23 CarbonylContact C-O 3.53Å; S11-Y23 WeakPolarHBondContact CA-O 3.48Å; S11-Y23 WeakPolarHBondContact CB-O 3.44Å
12F75.6Confident62.8Low111 Ų11178.9 Ų78.949%0.48748%0.477SS..EExtended strand (participates in β ladder)trans-135.7155.317663.2-85.5000110V14 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; F12-Y23 HydrophobicContact CD2-CD2 4.35Å; F12-Y23 HydrophobicContact CE1-CG 4.3Å; F12-Y23 AromaticContact CE2-CD2 3.77Å; F12-Y23 HydrophobicContact CE2-CD2 3.77Å; F12-Y23 AromaticContact CE2-CG 3.84Å; F12-Y23 HydrophobicContact CE2-CG 3.84Å; F12-Y23 VanDerWaalsContact CZ-CB 3.44Å; F12-Y23 HydrophobicContact CZ-CD1 4.27Å; F12-Y23 HydrophobicContact CZ-CD2 4.11Å; F12-Y23 AromaticContact CZ-CG 3.69Å; F12-Y23 HydrophobicContact CZ-CG 3.69Å; F12-Y23 PolarHBondContact N-O 3.47Å; F12-Y23 PolarHBondContact O-N 3.43Å
13K83.7Confident65.8Low127 Ų12773 Ų7355%0.55245%0.447SS*.EExtended strand (participates in β ladder)trans-111.7136178.5-62.8-156.9177.4-143.60111.2T20 F21 T22 E144K13-T20 HydrophobicContact CB-CG2 4.26Å; K13-T20 HydrophobicContact CD-CG2 3.91Å; K13-F21 CarbonylContact C-O 3.57Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.15Å; K13-T22 WeakPolarHBondContact CE-OG1 3.49Å; K13-T22 HydrophobicContact CG-CG2 4.17Å; K13-T22 PolarHBondContact NZ-OG1 2.85Å; K13-E144 IonicContact NZ-OE1 2.87Å; K13-E144 PolarHBondContact NZ-OE1 3.37Å
14V80.1Confident68.7Low59 Ų5970.4 Ų70.436%0.35843%0.431SS..EExtended strand (participates in β ladder)trans-124.3132.3175.4-176.70000108.3F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; V14-F21 PolarHBondContact N-O 3.02Å; V14-F21 PolarHBondContact O-N 3.12Å; V14-Y23 HydrophobicContact CB-CD2 4.45Å; V14-Y23 HydrophobicContact CB-CE2 4.11Å; V14-Y23 HydrophobicContact CG2-CD2 4.01Å; V14-Y23 HydrophobicContact CG2-CE2 3.98Å
15V74.3Confident71.3Confident103 Ų10368.6 Ų68.662%0.62443%0.425SS*.EExtended strand (participates in β ladder)trans-100.7123.3173.3-176.40000108.5T19 T20V15-T19 WeakPolarHBondContact CA-O 3.39Å; V15-T20 HydrophobicContact CG2-CG2 4.47Å
16S65.5Low73.8Confident74 Ų7466.4 Ų66.452%0.51740%0.401SS..EExtended strand (participates in β ladder)trans-141.4134.4177-173.20000110.1G18 T19S16-G18 PolarHBondContact O-N 3.49Å; S16-G18 VanDerWaalsContact O-N 3.12Å; S16-T19 PolarHBondContact N-O 2.62Å; S16-T19 PolarHBondContact O-N 3.44Å; S16-T19 VanDerWaalsContact O-O 3.14Å
17G62.3Low75.6Confident83 Ų8369.4 Ų69.486%0.85641%0.409SS*.THydrogen-bonded Turntrans56.726.9-177.500000114.7T19G17-T19 PolarHBondContact O-N 3.05Å
18G64.2Low76.8Confident73 Ų7368.6 Ų68.675%0.75341%0.408SS*.THydrogen-bonded Turntrans77.9-4.7-173.100000115.3S16S16-G18 PolarHBondContact O-N 3.49Å; S16-G18 VanDerWaalsContact O-N 3.12Å
19T72.3Confident77.7Confident51 Ų5161.6 Ų61.631%0.31339%0.387SS..EExtended strand (participates in β ladder)trans-95.4139.5176.7-56.50000110.4V15 S16 G17 F21 M145V15-T19 WeakPolarHBondContact CA-O 3.39Å; S16-T19 PolarHBondContact N-O 2.62Å; S16-T19 PolarHBondContact O-N 3.44Å; S16-T19 VanDerWaalsContact O-O 3.14Å; G17-T19 PolarHBondContact O-N 3.05Å; T19-F21 HydrophobicContact CG2-CD2 4.45Å; T19-F21 HydrophobicContact CG2-CE2 3.89Å; T19-F21 HydrophobicContact CG2-CZ 3.99Å; T19-M145 HydrophobicContact CG2-CB 4.38Å; T19-M145 HydrophobicContact CG2-CE 4.29Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å
20T76.8Confident77.8Confident61 Ų6163.1 Ų63.137%0.37440%0.401SS..EExtended strand (participates in β ladder)trans-97.6117.2176.7-59.10000110.5K13 V15 M145K13-T20 HydrophobicContact CB-CG2 4.26Å; K13-T20 HydrophobicContact CD-CG2 3.91Å; V15-T20 HydrophobicContact CG2-CG2 4.47Å; T20-M145 PolarHBondContact O-N 3.19Å
21F82.5Confident77.8Confident10 Ų1060.5 Ų60.54%0.04439%0.386CS..EExtended strand (participates in β ladder)trans-98.3120174.4-64.9-90.9000109.8K13 V14 T19 Y23 F129 L133 M145 V147K13-F21 CarbonylContact C-O 3.57Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.15Å; V14-F21 PolarHBondContact N-O 3.02Å; V14-F21 PolarHBondContact O-N 3.12Å; T19-F21 HydrophobicContact CG2-CD2 4.45Å; T19-F21 HydrophobicContact CG2-CE2 3.89Å; T19-F21 HydrophobicContact CG2-CZ 3.99Å; F21-Y23 HydrophobicContact CB-CD2 4.13Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.43Å; F21-F129 HydrophobicContact CE1-CZ 4.31Å; F21-L133 HydrophobicContact CE1-CD1 4.38Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.88Å; F21-L133 HydrophobicContact CZ-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CG 4.46Å; F21-M145 WeakPolarHBondContact CA-O 3.41Å; F21-M145 HydrophobicContact CD1-CB 3.38Å; F21-M145 HydrophobicContact CD1-CG 3.96Å; F21-M145 HydrophobicContact CE1-CB 3.6Å; F21-M145 HydrophobicContact CE1-CG 3.63Å; F21-M145 HydrophobicContact CE1-SD 4.37Å; F21-M145 HydrophobicContact CG-CB 4.06Å; F21-M145 HydrophobicContact CZ-CB 4.43Å; F21-M145 HydrophobicContact CZ-CG 4.11Å; F21-V147 HydrophobicContact CD1-CG2 4.11Å
22T87.6Confident77.9Confident14 Ų1457.4 Ų57.49%0.08637%0.365CS..EExtended strand (participates in β ladder)trans-90.5113.8165.7-49.50000107.7K13 M145 L146 V147K13-T22 WeakPolarHBondContact CE-OG1 3.49Å; K13-T22 HydrophobicContact CG-CG2 4.17Å; K13-T22 PolarHBondContact NZ-OG1 2.85Å; T22-M145 PolarHBondContact N-O 3.43Å; T22-L146 HydrophobicContact CG2-CD1 4.16Å; T22-L146 CarbonylContact O-C 3.57Å; T22-L146 WeakPolarHBondContact O-CA 3.2Å; T22-V147 PolarHBondContact O-N 3.12Å
23Y83.8Confident78.5Confident48 Ų4853.3 Ų53.319%0.18835%0.348CS..EExtended strand (participates in β ladder)trans-89.4131.7170.2-71.6-97.7000108.5S11 F12 V14 F21 V147 T149S11-Y23 CarbonylContact C-O 3.53Å; S11-Y23 WeakPolarHBondContact CA-O 3.48Å; S11-Y23 WeakPolarHBondContact CB-O 3.44Å; F12-Y23 HydrophobicContact CD2-CD2 4.35Å; F12-Y23 HydrophobicContact CE1-CG 4.3Å; F12-Y23 AromaticContact CE2-CD2 3.77Å; F12-Y23 HydrophobicContact CE2-CD2 3.77Å; F12-Y23 AromaticContact CE2-CG 3.84Å; F12-Y23 HydrophobicContact CE2-CG 3.84Å; F12-Y23 VanDerWaalsContact CZ-CB 3.44Å; F12-Y23 HydrophobicContact CZ-CD1 4.27Å; F12-Y23 HydrophobicContact CZ-CD2 4.11Å; F12-Y23 AromaticContact CZ-CG 3.69Å; F12-Y23 HydrophobicContact CZ-CG 3.69Å; F12-Y23 PolarHBondContact N-O 3.47Å; F12-Y23 PolarHBondContact O-N 3.43Å; V14-Y23 HydrophobicContact CB-CD2 4.45Å; V14-Y23 HydrophobicContact CB-CE2 4.11Å; V14-Y23 HydrophobicContact CG2-CD2 4.01Å; V14-Y23 HydrophobicContact CG2-CE2 3.98Å; F21-Y23 HydrophobicContact CB-CD2 4.13Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.43Å; Y23-V147 CarbonylContact C-O 3.58Å; Y23-V147 WeakPolarHBondContact CA-O 3.42Å; Y23-V147 HydrophobicContact CD1-CB 3.7Å; Y23-V147 HydrophobicContact CD1-CG1 3.58Å; Y23-V147 HydrophobicContact CD1-CG2 4.35Å; Y23-V147 HydrophobicContact CE1-CB 3.83Å; Y23-V147 HydrophobicContact CE1-CG1 3.57Å; Y23-V147 HydrophobicContact CE1-CG2 4.02Å; Y23-V147 HydrophobicContact CG-CB 4.22Å; Y23-T149 HydrophobicContact CD1-CG2 4.27Å
24A85.9Confident78.5Confident0 Ų049.9 Ų49.90%034%0.335CS..EExtended strand (participates in β ladder)trans-123.5135.7175.600000109.3V9 P26 F35 L146 V147 I148 T149V9-A24 HydrophobicContact CG1-CB 3.96Å; A24-P26 WeakPolarHBondContact O-CD 3.35Å; A24-F35 HydrophobicContact CB-CE1 3.72Å; A24-F35 HydrophobicContact CB-CZ 3.98Å; A24-L146 HydrophobicContact CB-CD1 4.17Å; A24-V147 PolarHBondContact N-O 3.05Å; A24-I148 WeakPolarHBondContact O-CA 3.04Å; A24-T149 PolarHBondContact O-N 2.93Å; A24-T149 PolarHBondContact O-OG1 3.33Å
25S83.9Confident78.8Confident41 Ų4148.4 Ų48.429%0.28732%0.324SS..  trans-123.582.7-175.9-59.40000111.4P10 T149P10-S25 PolarHBondContact O-N 3.46Å; S25-T149 WeakPolarHBondContact CA-OG1 3.43Å; S25-T149 WeakPolarHBondContact CB-OG1 3.32Å; S25-T149 PolarHBondContact OG-OG1 3.44Å
26P83.4Confident79.4Confident5 Ų543.8 Ų43.83%0.03230%0.296CS..  trans-67.4148.2176.2-16.231.5000111.6V9 A24 S28 A31 S32 I148V9-P26 HydrophobicContact CG1-CB 4.32Å; V9-P26 HydrophobicContact CG1-CG 3.92Å; V9-P26 HydrophobicContact CG2-CB 4.42Å; V9-P26 HydrophobicContact CG2-CG 4.42Å; A24-P26 WeakPolarHBondContact O-CD 3.35Å; P26-S28 VanDerWaalsContact C-N 3.25Å; P26-S28 PolarHBondContact O-N 3.15Å; P26-A31 HydrophobicContact CB-CB 4Å; P26-S32 WeakPolarHBondContact CB-OG 3.48Å; P26-S32 WeakPolarHBondContact CG-OG 3.35Å; P26-I148 HydrophobicContact CG-CG2 4.1Å
27K76.3Confident80.4Confident177 Ų17740.2 Ų40.277%0.7727%0.271SS*.SBendtrans-74.3-4.4-172.9-62.1-174176.9-173.90115.7
28S79Confident81.5Confident37 Ų3737.8 Ų37.826%0.25924%0.237SC..SBendtrans-168.9163.4176.968.70000110.3P26 A30 A31 S32P26-S28 VanDerWaalsContact C-N 3.25Å; P26-S28 PolarHBondContact O-N 3.15Å; S28-A30 PolarHBondContact O-N 3.28Å; S28-A31 PolarHBondContact O-N 3.33Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 2.74Å; S28-S32 PolarHBondContact O-N 3.45Å; S28-S32 PolarHBondContact O-OG 2.83Å
29G77.5Confident82.4Confident43 Ų4335.2 Ų35.244%0.44321%0.207SC..Hα-helixtrans-58.4-31176.200000114.1L33G29-L33 WeakPolarHBondContact O-CG 3.3Å; G29-L33 PolarHBondContact O-N 3.03Å
30A78.1Confident83Confident52 Ų5233.7 Ų33.743%0.4320%0.197SC..Hα-helixtrans-68.4-46.1173.400000111.6S28 S32 L33 D34S28-A30 PolarHBondContact O-N 3.28Å; A30-S32 VanDerWaalsContact C-N 3.25Å; A30-S32 PolarHBondContact O-N 2.9Å; A30-L33 PolarHBondContact O-N 2.93Å; A30-L33 VanDerWaalsContact O-N 3.1Å; A30-D34 PolarHBondContact O-N 3.07Å
31A79.7Confident83.2Confident22 Ų2235.9 Ų35.918%0.18220%0.198CC..Hα-helixtrans-61.7-33.2176.400000112.3P26 S28 D34 F35P26-A31 HydrophobicContact CB-CB 4Å; S28-A31 PolarHBondContact O-N 3.33Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 2.74Å; A31-D34 PolarHBondContact O-N 3.37Å; A31-F35 WeakPolarHBondContact O-CB 3.22Å; A31-F35 PolarHBondContact O-N 2.81Å
32S83.6Confident82.8Confident15 Ų1542.2 Ų42.211%0.10523%0.226CC..Hα-helixtrans-61.3-44.2172.3-58.10000112.6P26 S28 A30 L36P26-S32 WeakPolarHBondContact CB-OG 3.48Å; P26-S32 WeakPolarHBondContact CG-OG 3.35Å; S28-S32 PolarHBondContact O-N 3.45Å; S28-S32 PolarHBondContact O-OG 2.83Å; A30-S32 VanDerWaalsContact C-N 3.25Å; A30-S32 PolarHBondContact O-N 2.9Å; S32-L36 WeakPolarHBondContact O-CB 3.25Å; S32-L36 WeakPolarHBondContact O-CD1 3.33Å; S32-L36 VanDerWaalsContact O-CG 3.28Å; S32-L36 WeakPolarHBondContact O-CG 3.5Å; S32-L36 PolarHBondContact O-N 3.38Å
33L87.9Confident81.8Confident24 Ų2444.7 Ų44.713%0.12623%0.234CC..Hα-helixtrans-71.9-34.7179.6-67.5165.2000112.3G29 A30 L36 A37 L63 E66 R70G29-L33 WeakPolarHBondContact O-CG 3.3Å; G29-L33 PolarHBondContact O-N 3.03Å; A30-L33 PolarHBondContact O-N 2.93Å; A30-L33 VanDerWaalsContact O-N 3.1Å; L33-L36 HydrophobicContact CD2-CD1 4.31Å; L33-A37 WeakPolarHBondContact O-CB 3.24Å; L33-A37 PolarHBondContact O-N 2.93Å; L33-L63 HydrophobicContact CD2-CD1 3.76Å; L33-E66 HydrophobicContact CD1-CB 3.92Å; L33-E66 HydrophobicContact CD1-CG 3.88Å; L33-E66 HydrophobicContact CD2-CB 3.82Å; L33-E66 HydrophobicContact CD2-CG 4.4Å; L33-E66 HydrophobicContact CG-CB 4.43Å; L33-R70 VanDerWaalsContact CB-CZ 3.49Å
34D83.9Confident80.4Confident56 Ų5649 Ų4930%0.29926%0.256SS..Hα-helixtrans-70.8-39.1174.8-63.2-22.8000111.5L7 A30 A31 A37 H38 R70L7-D34 HydrophobicContact CD1-CB 4.14Å; A30-D34 PolarHBondContact O-N 3.07Å; A31-D34 PolarHBondContact O-N 3.37Å; D34-A37 PolarHBondContact O-N 2.88Å; D34-H38 WeakPolarHBondContact O-CB 3.46Å; D34-H38 PolarHBondContact O-N 2.96Å; D34-R70 IonicContact OD1-CZ 2.69Å; D34-R70 IonicContact OD1-NE 3.16Å; D34-R70 PolarHBondContact OD1-NE 2.9Å; D34-R70 IonicContact OD1-NH2 2.97Å; D34-R70 PolarHBondContact OD1-NH2 3.14Å
35F86Confident78.8Confident28 Ų2852.5 Ų52.512%0.12328%0.284CS..Hα-helixtrans-65.4-41.5172.9174-107.7000112.5L7 V9 A24 A31 H38 T39 L146 I148L7-F35 HydrophobicContact CB-CD2 4.4Å; V9-F35 HydrophobicContact CB-CD2 4.02Å; V9-F35 HydrophobicContact CB-CE2 4.09Å; V9-F35 HydrophobicContact CB-CG 4.44Å; V9-F35 HydrophobicContact CG2-CB 3.94Å; V9-F35 HydrophobicContact CG2-CD1 4.46Å; V9-F35 HydrophobicContact CG2-CD2 3.47Å; V9-F35 VanDerWaalsContact CG2-CD2 3.47Å; V9-F35 HydrophobicContact CG2-CE2 4.06Å; V9-F35 HydrophobicContact CG2-CG 3.7Å; A24-F35 HydrophobicContact CB-CE1 3.72Å; A24-F35 HydrophobicContact CB-CZ 3.98Å; A31-F35 WeakPolarHBondContact O-CB 3.22Å; A31-F35 PolarHBondContact O-N 2.81Å; F35-H38 PolarHBondContact O-N 3.49Å; F35-T39 WeakPolarHBondContact O-CB 3.36Å; F35-T39 PolarHBondContact O-N 2.89Å; F35-T39 PolarHBondContact O-OG1 2.95Å; F35-L146 HydrophobicContact CE1-CD1 4.42Å; F35-L146 HydrophobicContact CE1-CD2 4.19Å; F35-I148 HydrophobicContact CD1-CD1 4.16Å; F35-I148 HydrophobicContact CE1-CD1 4.46Å
36L88.1Confident77.3Confident5 Ų556.8 Ų56.83%0.02630%0.304CS..Hα-helixtrans-58.4-51.6170.8-80.9163.8000110.9S32 L33 H38 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 WeakPolarHBondContact O-CB 3.25Å; S32-L36 WeakPolarHBondContact O-CD1 3.33Å; S32-L36 VanDerWaalsContact O-CG 3.28Å; S32-L36 WeakPolarHBondContact O-CG 3.5Å; S32-L36 PolarHBondContact O-N 3.38Å; L33-L36 HydrophobicContact CD2-CD1 4.31Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.35Å; L36-T39 PolarHBondContact O-N 3.44Å; L36-L40 WeakPolarHBondContact O-CB 3.19Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.31Å; L36-L40 PolarHBondContact O-N 2.84Å; L36-L52 HydrophobicContact CD2-CD2 3.78Å; L36-L63 HydrophobicContact CD1-CD1 4Å; L36-L67 HydrophobicContact CB-CD2 4.1Å; L36-I119 HydrophobicContact CD2-CD1 4.19Å; L36-I119 HydrophobicContact CD2-CG2 3.75Å; L36-T121 HydrophobicContact CD1-CG2 4.04Å; L36-T121 HydrophobicContact CD2-CG2 4.02Å; L36-I148 HydrophobicContact CD1-CD1 3.82Å; L36-I148 HydrophobicContact CD2-CD1 3.51Å; L36-I148 HydrophobicContact CG-CD1 3.42Å; L36-I148 VanDerWaalsContact CG-CD1 3.42Å
37A86.7Confident76Confident0 Ų060.9 Ų60.90%033%0.329CS..Hα-helixtrans-63.9-37.4-179.400000112.6L33 D34 R41 L67 R70 V72L33-A37 WeakPolarHBondContact O-CB 3.24Å; L33-A37 PolarHBondContact O-N 2.93Å; D34-A37 PolarHBondContact O-N 2.88Å; A37-R41 WeakPolarHBondContact O-CB 3.48Å; A37-R41 VanDerWaalsContact O-CG 3.31Å; A37-R41 WeakPolarHBondContact O-CG 3.3Å; A37-R41 PolarHBondContact O-N 2.82Å; A37-L67 HydrophobicContact CB-CD2 4.16Å; A37-R70 HydrophobicContact CB-CB 3.81Å; A37-R70 HydrophobicContact CB-CG 4.43Å; A37-V72 HydrophobicContact CB-CG2 3.84Å
38H84Confident75.7Confident31 Ų3155.8 Ų55.814%0.14431%0.308CS..Hα-helixtrans-64.9-46.4173-177.493.4000111.6L7 D34 F35 L36 L40 R41 K42L7-H38 HydrophobicContact CD1-CB 3.89Å; D34-H38 WeakPolarHBondContact O-CB 3.46Å; D34-H38 PolarHBondContact O-N 2.96Å; F35-H38 PolarHBondContact O-N 3.49Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.35Å; H38-L40 VanDerWaalsContact C-N 3.33Å; H38-L40 PolarHBondContact O-N 2.79Å; H38-R41 PolarHBondContact O-N 3.12Å; H38-K42 VanDerWaalsContact O-CB 3.23Å; H38-K42 WeakPolarHBondContact O-CB 3.46Å; H38-K42 PolarHBondContact O-N 3.27Å
39T84.3Confident75.9Confident19 Ų1956 Ų5612%0.11730%0.304CS..Hα-helixtrans-58.9-44.1178.2-59.70000111.8F35 L36 R43 L117 I119 L146F35-T39 WeakPolarHBondContact O-CB 3.36Å; F35-T39 PolarHBondContact O-N 2.89Å; F35-T39 PolarHBondContact O-OG1 2.95Å; L36-T39 PolarHBondContact O-N 3.44Å; T39-R43 PolarHBondContact O-N 3.28Å; T39-L117 HydrophobicContact CG2-CD2 4.3Å; T39-I119 HydrophobicContact CG2-CD1 4.48Å; T39-L146 HydrophobicContact CG2-CD2 4.23Å
40L85.2Confident76.4Confident20 Ų2054.4 Ų54.411%0.10529%0.286CS..Hα-helixtrans-74.6-25.3-180-66.4168.5000113.9L36 H38 T50 L52 L67 V72 A99 I119L36-L40 WeakPolarHBondContact O-CB 3.19Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.31Å; L36-L40 PolarHBondContact O-N 2.84Å; H38-L40 VanDerWaalsContact C-N 3.33Å; H38-L40 PolarHBondContact O-N 2.79Å; L40-T50 HydrophobicContact CD2-CG2 3.65Å; L40-L52 HydrophobicContact CD1-CD1 3.94Å; L40-L52 HydrophobicContact CD1-CD2 4.3Å; L40-L52 HydrophobicContact CD2-CD1 4.44Å; L40-L67 HydrophobicContact CD1-CD1 3.92Å; L40-L67 HydrophobicContact CD1-CD2 4.18Å; L40-V72 HydrophobicContact CB-CG1 3.79Å; L40-V72 HydrophobicContact CD1-CG1 3.9Å; L40-V72 HydrophobicContact CG-CG1 4.47Å; L40-A99 HydrophobicContact CD2-CB 3.87Å; L40-I119 HydrophobicContact CD2-CD1 4.19Å
41R80.8Confident77Confident107 Ų10751.9 Ų51.940%0.40427%0.265SS..Hα-helixtrans-87.5-20.3173.7-70.6-166.2-121.398.1-9.3113.9A37 H38 R70 V72A37-R41 WeakPolarHBondContact O-CB 3.48Å; A37-R41 VanDerWaalsContact O-CG 3.31Å; A37-R41 WeakPolarHBondContact O-CG 3.3Å; A37-R41 PolarHBondContact O-N 2.82Å; H38-R41 PolarHBondContact O-N 3.12Å; R41-R70 PolarHBondContact NE-O 3.05Å; R41-R70 PolarHBondContact NH2-O 2.94Å; R41-V72 HydrophobicContact CG-CG2 3.79Å
42K74.1Confident77.6Confident142 Ų14250.9 Ų50.962%0.61726%0.257SS*.Hα-helixtrans-84.5-25.1-178.9-175.6168-178171.40113.2N6 H38N6-K42 PolarHBondContact OD1-NZ 3.26Å; H38-K42 VanDerWaalsContact O-CB 3.23Å; H38-K42 WeakPolarHBondContact O-CB 3.46Å; H38-K42 PolarHBondContact O-N 3.27Å
43R66.7Low78Confident66 Ų6650.1 Ų50.125%0.24925%0.252CS..SBendtrans-84.7141.3171.1-70.8167.3177.8-101.910.1109.2T39 A45 E48 E144T39-R43 PolarHBondContact O-N 3.28Å; R43-A45 PolarHBondContact O-N 2.89Å; R43-E48 WeakPolarHBondContact CB-OE2 3.46Å; R43-E48 WeakPolarHBondContact CD-OE2 3.07Å; R43-E48 WeakPolarHBondContact CG-OE2 3.3Å; R43-E48 IonicContact CZ-OE2 3.6Å; R43-E48 IonicContact NE-OE2 3.32Å; R43-E48 IonicContact NH1-OE1 2.78Å; R43-E48 IonicContact NH1-OE2 2.7Å; R43-E48 PolarHBondContact NH1-OE2 3.12Å; R43-E144 IonicContact CZ-OE2 3.68Å; R43-E144 IonicContact NH2-OE2 2.73Å; R43-E144 PolarHBondContact NH2-OE2 2.9Å
44E52.8Low78.1Confident140 Ų14049 Ų4965%0.65425%0.246SC*.  trans-69.2114.6-176-77.2-176.5168.200111.2N46 T47 E48E44-N46 PolarHBondContact O-N 3.48Å; E44-T47 VanDerWaalsContact CB-OG1 3.22Å; E44-T47 WeakPolarHBondContact CB-OG1 3.45Å; E44-T47 PolarHBondContact O-N 3.25Å; E44-T47 VanDerWaalsContact O-N 3.12Å; E44-T47 PolarHBondContact O-OG1 3.12Å; E44-T47 PolarHBondContact OE2-OG1 3.47Å; E44-E48 PolarHBondContact O-N 2.89Å
45A53Low78.3Confident72 Ų7249 Ų4960%0.59524%0.244SC*.THydrogen-bonded Turntrans-70.725.8-176.100000114.9R43 N97R43-A45 PolarHBondContact O-N 2.89Å; A45-N97 WeakPolarHBondContact O-CB 3.49Å
46N51.8Low78.3Confident131 Ų13152 Ų5270%0.70126%0.259SS*.THydrogen-bonded Turntrans-134.3-9.8174-79-30.6000113.7E44 N97E44-N46 PolarHBondContact O-N 3.48Å; N46-N97 PolarHBondContact OD1-ND2 3.22Å
47T57Low78Confident92 Ų9254 Ų5456%0.56427%0.269SS*.THydrogen-bonded Turntrans-124.9-28.4-172.747.50000113.7E44E44-T47 VanDerWaalsContact CB-OG1 3.22Å; E44-T47 WeakPolarHBondContact CB-OG1 3.45Å; E44-T47 PolarHBondContact O-N 3.25Å; E44-T47 VanDerWaalsContact O-N 3.12Å; E44-T47 PolarHBondContact O-OG1 3.12Å; E44-T47 PolarHBondContact OE2-OG1 3.47Å
48E70.3Confident77.8Confident69 Ų6960.1 Ų60.132%0.32230%0.296SS..  trans-110.6119.4-180-67.3-168.5169.800114R43 E44 T50 N116R43-E48 WeakPolarHBondContact CB-OE2 3.46Å; R43-E48 WeakPolarHBondContact CD-OE2 3.07Å; R43-E48 WeakPolarHBondContact CG-OE2 3.3Å; R43-E48 IonicContact CZ-OE2 3.6Å; R43-E48 IonicContact NE-OE2 3.32Å; R43-E48 IonicContact NH1-OE1 2.78Å; R43-E48 IonicContact NH1-OE2 2.7Å; R43-E48 PolarHBondContact NH1-OE2 3.12Å; E44-E48 PolarHBondContact O-N 2.89Å; E48-T50 PolarHBondContact O-N 3.25Å; E48-N116 HydrophobicContact CB-CB 4.22Å; E48-N116 HydrophobicContact CG-CB 4.36Å
49K83.2Confident77.9Confident42 Ų4260.3 Ų60.318%0.18330%0.297CS..  trans-81.1112.3173.8-71.1170.7-177.9163.80110.5W91 S92 E114 N116 L117K49-W91 HydrophobicContact CB-CH2 3.7Å; K49-W91 HydrophobicContact CB-CZ2 3.86Å; K49-W91 HydrophobicContact CB-CZ3 4.36Å; K49-W91 HydrophobicContact CG-CH2 4.4Å; K49-W91 HydrophobicContact CG-CZ2 4.4Å; K49-S92 PolarHBondContact NZ-O 3.41Å; K49-E114 WeakPolarHBondContact CD-O 3.41Å; K49-E114 IonicContact NZ-OE2 2.86Å; K49-N116 PolarHBondContact N-OD1 3.21Å; K49-N116 PolarHBondContact O-N 3.27Å; K49-L117 PolarHBondContact O-N 3.4Å
50T88.3Confident78Confident9 Ų959.4 Ų59.46%0.05529%0.291CS..EExtended strand (participates in β ladder)trans-110.5133.1-179.2-59.20000112.7L40 E48 W91 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.65Å; E48-T50 PolarHBondContact O-N 3.25Å; T50-W91 WeakPolarHBondContact O-CZ2 3.33Å; T50-A99 HydrophobicContact CG2-CB 4.42Å; T50-A99 WeakPolarHBondContact O-CA 3.16Å; T50-L100 PolarHBondContact O-N 3.25Å; T50-L117 WeakPolarHBondContact CA-O 3.49Å; T50-L117 HydrophobicContact CG2-CB 4.16Å; T50-L117 HydrophobicContact CG2-CD2 3.83Å; T50-L117 HydrophobicContact CG2-CG 4.03Å; T50-I119 HydrophobicContact CG2-CD1 3.89Å; T50-I119 HydrophobicContact CG2-CG1 4.13Å
51I90.4Very high78Confident0 Ų063.5 Ų63.50%031%0.31CS..EExtended strand (participates in β ladder)trans-106.7139.8173.1-59.8173.3000109.9I53 W91 L100 L102 L110 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.27Å; I51-I53 HydrophobicContact CG2-CG1 3.75Å; I51-W91 HydrophobicContact CD1-CH2 4.17Å; I51-W91 HydrophobicContact CD1-CZ3 4.39Å; I51-W91 HydrophobicContact CG1-CH2 3.6Å; I51-W91 HydrophobicContact CG1-CZ2 4.32Å; I51-W91 HydrophobicContact CG1-CZ3 4.25Å; I51-L100 CarbonylContact C-O 3.57Å; I51-L100 WeakPolarHBondContact CA-O 3.32Å; I51-L102 HydrophobicContact CG2-CD2 3.66Å; I51-L102 HydrophobicContact CG2-CG 4.21Å; I51-L110 HydrophobicContact CD1-CD2 3.71Å; I51-A115 HydrophobicContact CD1-CB 3.56Å; I51-A115 HydrophobicContact CG1-CB 3.94Å; I51-L117 PolarHBondContact N-O 3.3Å; I51-V118 HydrophobicContact CB-CG2 4.32Å; I51-V118 HydrophobicContact CD1-CG2 4.41Å; I51-I119 PolarHBondContact O-N 3.35Å
52L92.3Very high78.3Confident0 Ų066.1 Ų66.10%032%0.32CS..EExtended strand (participates in β ladder)trans-119119.8174.9-72.5147.5000108.5L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD2-CD2 3.78Å; L40-L52 HydrophobicContact CD1-CD1 3.94Å; L40-L52 HydrophobicContact CD1-CD2 4.3Å; L40-L52 HydrophobicContact CD2-CD1 4.44Å; L52-L63 HydrophobicContact CB-CD2 4.28Å; L52-L63 HydrophobicContact CD2-CD2 4.36Å; L52-L67 HydrophobicContact CD1-CD1 4.08Å; L52-T74 HydrophobicContact CD1-CG2 4.27Å; L52-A99 HydrophobicContact CD1-CB 3.86Å; L52-L100 PolarHBondContact N-O 3.05Å; L52-I101 HydrophobicContact CB-CB 4.39Å; L52-I101 HydrophobicContact CB-CG1 3.93Å; L52-I101 HydrophobicContact CD1-CD1 4.46Å; L52-I101 HydrophobicContact CD1-CG1 3.72Å; L52-I101 HydrophobicContact CG-CG1 4.47Å; L52-I101 WeakPolarHBondContact O-CA 3.29Å; L52-L102 PolarHBondContact O-N 3.27Å; L52-I119 WeakPolarHBondContact CA-O 3.48Å; L52-I119 HydrophobicContact CD2-CB 4.05Å; L52-I119 HydrophobicContact CD2-CD1 3.99Å; L52-I119 HydrophobicContact CD2-CG1 4.48Å; L52-I119 HydrophobicContact CD2-CG2 4.42Å; L52-T121 HydrophobicContact CD2-CG2 3.81Å
53I91.2Very high79Confident0 Ų059.9 Ų59.90%029%0.293CS..EExtended strand (participates in β ladder)trans-113.9118.5-174.3-50.6179.8000110.5I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.27Å; I51-I53 HydrophobicContact CG2-CG1 3.75Å; I53-L102 WeakPolarHBondContact CA-O 3.45Å; I53-L102 HydrophobicContact CG1-CD1 4.15Å; I53-L102 HydrophobicContact CG2-CD1 4.24Å; I53-L107 HydrophobicContact CD1-CD2 4.17Å; I53-V118 HydrophobicContact CD1-CG1 3.46Å; I53-V118 VanDerWaalsContact CD1-CG1 3.46Å; I53-V118 HydrophobicContact CG1-CG1 4.11Å; I53-I119 PolarHBondContact N-O 3.12Å; I53-T121 PolarHBondContact O-N 2.98Å; I53-T121 PolarHBondContact O-OG1 3.04Å; I53-T121 VanDerWaalsContact O-OG1 3.13Å; I53-L136 HydrophobicContact CD1-CD1 3.71Å; I53-L136 HydrophobicContact CD1-CD2 3.89Å; I53-L136 HydrophobicContact CD1-CG 4.32Å
54C90.5Very high80.1Confident1 Ų160.6 Ų60.61%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-103.1165.8168.9-460000110.6E59 A60 L63 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.77Å; C54-A60 HydrophobicContact CB-CB 4.17Å; C54-L63 VanDerWaalsContact SG-CD2 3.57Å; C54-L102 PolarHBondContact N-O 3.33Å; C54-C103 CarbonylContact O-C 3.52Å; C54-C103 VanDerWaalsContact O-CA 3.27Å; C54-C103 WeakPolarHBondContact O-CA 3.33Å; C54-D104 PolarHBondContact O-N 3.2Å; C54-D104 VanDerWaalsContact O-N 3.16Å; C54-T121 PolarHBondContact SG-OG1 3.13Å; C54-T122 WeakPolarHBondContact CA-OG1 3.49Å
55Q87.8Confident81.7Confident56 Ų5660 Ų6026%0.26229%0.294SS..SBendtrans-79.6-44.8174-168.6179.826.100110.6E59 D104 T122 P124Q55-E59 PolarHBondContact N-OE2 2.78Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.13Å; Q55-T122 PolarHBondContact N-OG1 2.78Å; Q55-P124 HydrophobicContact CG-CB 4.28Å
56Q85.3Confident83.4Confident91 Ų9158.2 Ų58.243%0.42527%0.273SS..SBendtrans-123.5152.7-170.8-51.9-167.329.900113.2F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.32Å; Q56-F58 HydrophobicContact CB-CD1 4.18Å; Q56-F58 HydrophobicContact CB-CE1 4.01Å; Q56-F58 PolarHBondContact O-N 3.37Å; Q56-F58 VanDerWaalsContact OE1-CE1 3.28Å; Q56-E59 HydrophobicContact CB-CG 4.24Å; Q56-E59 PolarHBondContact N-OE2 3.14Å; Q56-E59 WeakPolarHBondContact O-CB 3.09Å; Q56-E59 PolarHBondContact O-N 3.28Å; Q56-E59 VanDerWaalsContact O-N 3.11Å; Q56-A60 PolarHBondContact O-N 3.19Å
57N83.3Confident85Confident46 Ų4652 Ų5225%0.24624%0.239CC..Hα-helixtrans-62.2-34.4-175.7-179.979.4000113.4E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.32Å; N57-E59 PolarHBondContact O-N 3.15Å; N57-A60 WeakPolarHBondContact O-CB 3.25Å; N57-A60 PolarHBondContact O-N 3.1Å; N57-E61 PolarHBondContact ND2-OE1 3.48Å; N57-E61 WeakPolarHBondContact O-CG 3.47Å; N57-E61 PolarHBondContact O-N 2.98Å; N57-P79 HydrophobicContact CB-CG 4.37Å; N57-P79 WeakPolarHBondContact OD1-CD 3.16Å
58F80.9Confident86.1Confident129 Ų12950.4 Ų50.457%0.56624%0.236SC*.Hα-helixtrans-69.8-29.717774.7-104.6000112.5Q56 A60 R62Q56-F58 VanDerWaalsContact C-N 3.32Å; Q56-F58 HydrophobicContact CB-CD1 4.18Å; Q56-F58 HydrophobicContact CB-CE1 4.01Å; Q56-F58 PolarHBondContact O-N 3.37Å; Q56-F58 VanDerWaalsContact OE1-CE1 3.28Å; F58-A60 VanDerWaalsContact C-N 3.34Å; F58-R62 VanDerWaalsContact O-CB 3.27Å; F58-R62 WeakPolarHBondContact O-CB 3.32Å; F58-R62 PolarHBondContact O-N 2.94Å
59E86.3Confident86.7Confident34 Ų3451.8 Ų51.816%0.15924%0.242CC..Hα-helixtrans-65.1-43.6172.1-61.1166.4-16200109.7C54 Q55 Q56 N57 R62 L63 T122C54-E59 HydrophobicContact CB-CB 3.77Å; Q55-E59 PolarHBondContact N-OE2 2.78Å; Q56-E59 HydrophobicContact CB-CG 4.24Å; Q56-E59 PolarHBondContact N-OE2 3.14Å; Q56-E59 WeakPolarHBondContact O-CB 3.09Å; Q56-E59 PolarHBondContact O-N 3.28Å; Q56-E59 VanDerWaalsContact O-N 3.11Å; N57-E59 VanDerWaalsContact C-N 3.32Å; N57-E59 PolarHBondContact O-N 3.15Å; E59-R62 PolarHBondContact O-N 3.26Å; E59-L63 WeakPolarHBondContact O-CB 3.12Å; E59-L63 PolarHBondContact O-N 2.73Å; E59-T122 PolarHBondContact OE2-OG1 3.34Å
60A86.8Confident86.7Confident0 Ų051.5 Ų51.50%024%0.24CC..Hα-helixtrans-65.7-39.7178.600000112.4C54 Q56 N57 F58 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.17Å; Q56-A60 PolarHBondContact O-N 3.19Å; N57-A60 WeakPolarHBondContact O-CB 3.25Å; N57-A60 PolarHBondContact O-N 3.1Å; F58-A60 VanDerWaalsContact C-N 3.34Å; A60-K64 WeakPolarHBondContact O-CB 3.42Å; A60-K64 PolarHBondContact O-N 3.47Å; A60-K64 VanDerWaalsContact O-N 3.07Å; A60-L76 HydrophobicContact CB-CD1 3.54Å; A60-I101 HydrophobicContact CB-CG2 3.78Å
61E85.6Confident86.3Confident106 Ų10656.2 Ų56.250%0.49527%0.265SS..Hα-helixtrans-65.8-43.4171.5-74179.1-169.200112.4N57 K64 F65 L76N57-E61 PolarHBondContact ND2-OE1 3.48Å; N57-E61 WeakPolarHBondContact O-CG 3.47Å; N57-E61 PolarHBondContact O-N 2.98Å; E61-K64 PolarHBondContact O-N 2.95Å; E61-F65 PolarHBondContact O-N 3.07Å; E61-L76 HydrophobicContact CB-CD2 4.32Å; E61-L76 HydrophobicContact CG-CD2 3.5Å; E61-L76 VanDerWaalsContact CG-CD2 3.5Å
62R87Confident85.9Confident162 Ų16256.8 Ų56.861%0.61127%0.268SS*.Hα-helixtrans-64-48.1175.7-178.6179.9176.3-171.5-1.7111.4F58 E59 K64 F65 E66F58-R62 VanDerWaalsContact O-CB 3.27Å; F58-R62 WeakPolarHBondContact O-CB 3.32Å; F58-R62 PolarHBondContact O-N 2.94Å; E59-R62 PolarHBondContact O-N 3.26Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.47Å; R62-F65 WeakPolarHBondContact O-CB 3.5Å; R62-F65 PolarHBondContact O-N 3.46Å; R62-E66 HydrophobicContact CG-CG 4.01Å; R62-E66 IonicContact CZ-OE1 3.75Å; R62-E66 IonicContact NE-OE1 3.87Å; R62-E66 PolarHBondContact NE-OE1 2.93Å; R62-E66 IonicContact NH2-OE1 3.65Å; R62-E66 WeakPolarHBondContact O-CB 3.45Å; R62-E66 VanDerWaalsContact O-CG 3.26Å; R62-E66 WeakPolarHBondContact O-CG 3.49Å; R62-E66 PolarHBondContact O-N 3.02Å
63L87.9Confident85.3Confident11 Ų1162.4 Ų62.46%0.05830%0.299CS..Hα-helixtrans-58-42.5178.7177.464.3000111.1L33 L36 L52 C54 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.76Å; L36-L63 HydrophobicContact CD1-CD1 4Å; L52-L63 HydrophobicContact CB-CD2 4.28Å; L52-L63 HydrophobicContact CD2-CD2 4.36Å; C54-L63 VanDerWaalsContact SG-CD2 3.57Å; E59-L63 WeakPolarHBondContact O-CB 3.12Å; E59-L63 PolarHBondContact O-N 2.73Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.3Å; L63-E66 PolarHBondContact O-N 3.1Å; L63-L67 HydrophobicContact CD1-CD1 3.82Å; L63-L67 HydrophobicContact CD1-CG 3.96Å; L63-L67 HydrophobicContact CG-CD1 3.92Å; L63-L67 HydrophobicContact CG-CG 4.4Å; L63-L67 VanDerWaalsContact O-CB 3.32Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CG 3.22Å; L63-L67 PolarHBondContact O-N 2.78Å; L63-I101 HydrophobicContact CD2-CD1 4.33Å; L63-I101 HydrophobicContact CD2-CG1 4.47Å; L63-I101 HydrophobicContact CD2-CG2 4.12Å; L63-I101 HydrophobicContact CG-CD1 4.2Å; L63-T121 HydrophobicContact CD2-CG2 3.82Å
64K90.6Very high85.2Confident82 Ų8262.9 Ų62.936%0.35730%0.301SS..Hα-helixtrans-58.3-43.4174.4-164.9-166.2-168.1175.30112.1A60 E61 R62 A68 T74 L76 I101A60-K64 WeakPolarHBondContact O-CB 3.42Å; A60-K64 PolarHBondContact O-N 3.47Å; A60-K64 VanDerWaalsContact O-N 3.07Å; E61-K64 PolarHBondContact O-N 2.95Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.47Å; K64-A68 VanDerWaalsContact O-CB 3.3Å; K64-A68 WeakPolarHBondContact O-CB 3.42Å; K64-A68 PolarHBondContact O-N 3.15Å; K64-T74 WeakPolarHBondContact CE-O 3.45Å; K64-L76 HydrophobicContact CD-CB 3.79Å; K64-L76 HydrophobicContact CD-CD2 4.46Å; K64-L76 HydrophobicContact CG-CB 4.48Å; K64-I101 HydrophobicContact CB-CD1 3.8Å; K64-I101 HydrophobicContact CG-CD1 4.15Å
65F86Confident85.2Confident128 Ų12864.5 Ų64.556%0.56131%0.31SS*.Hα-helixtrans-68.2-46.4178.3-176.1-89.4000112E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 3.07Å; R62-F65 WeakPolarHBondContact O-CB 3.5Å; R62-F65 PolarHBondContact O-N 3.46Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.3Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 2.87Å; F65-A68 CarbonylContact O-C 3.57Å; F65-A68 WeakPolarHBondContact O-CB 3.35Å; F65-A68 PolarHBondContact O-N 2.95Å; F65-A68 VanDerWaalsContact O-N 3.12Å; F65-E69 HydrophobicContact CD1-CG 4.36Å; F65-E69 HydrophobicContact CE1-CG 3.82Å; F65-E69 HydrophobicContact CZ-CG 4.21Å; F65-E69 PolarHBondContact O-N 3.28Å
66E88.6Confident85.2Confident33 Ų3363 Ų6315%0.15430%0.303CS..Hα-helixtrans-63.9-34.9179.4-68.3-84.4-170.100112.8L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 3.92Å; L33-E66 HydrophobicContact CD1-CG 3.88Å; L33-E66 HydrophobicContact CD2-CB 3.82Å; L33-E66 HydrophobicContact CD2-CG 4.4Å; L33-E66 HydrophobicContact CG-CB 4.43Å; R62-E66 HydrophobicContact CG-CG 4.01Å; R62-E66 IonicContact CZ-OE1 3.75Å; R62-E66 IonicContact NE-OE1 3.87Å; R62-E66 PolarHBondContact NE-OE1 2.93Å; R62-E66 IonicContact NH2-OE1 3.65Å; R62-E66 WeakPolarHBondContact O-CB 3.45Å; R62-E66 VanDerWaalsContact O-CG 3.26Å; R62-E66 WeakPolarHBondContact O-CG 3.49Å; R62-E66 PolarHBondContact O-N 3.02Å; L63-E66 PolarHBondContact O-N 3.1Å; E66-R70 WeakPolarHBondContact O-CD 3.45Å; E66-R70 VanDerWaalsContact O-CG 3.32Å; E66-R70 WeakPolarHBondContact O-CG 3.31Å; E66-R70 PolarHBondContact O-NH1 3.29Å; E66-R70 IonicContact OE2-CZ 2.71Å; E66-R70 IonicContact OE2-NH1 2.84Å; E66-R70 PolarHBondContact OE2-NH1 3.49Å; E66-R70 IonicContact OE2-NH2 2.85Å
67L85.3Confident84.9Confident0 Ų058.8 Ų58.80%028%0.284CS..Hα-helixtrans-74.5-31.7172.6-72.5177.6000112.2L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101L36-L67 HydrophobicContact CB-CD2 4.1Å; A37-L67 HydrophobicContact CB-CD2 4.16Å; L40-L67 HydrophobicContact CD1-CD1 3.92Å; L40-L67 HydrophobicContact CD1-CD2 4.18Å; L52-L67 HydrophobicContact CD1-CD1 4.08Å; L63-L67 HydrophobicContact CD1-CD1 3.82Å; L63-L67 HydrophobicContact CD1-CG 3.96Å; L63-L67 HydrophobicContact CG-CD1 3.92Å; L63-L67 HydrophobicContact CG-CG 4.4Å; L63-L67 VanDerWaalsContact O-CB 3.32Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 WeakPolarHBondContact O-CG 3.22Å; L63-L67 PolarHBondContact O-N 2.78Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 2.87Å; L67-R70 CarbonylContact O-C 3.54Å; L67-R70 VanDerWaalsContact O-C 3.31Å; L67-R70 WeakPolarHBondContact O-CA 3.43Å; L67-R70 WeakPolarHBondContact O-CB 3.4Å; L67-R70 PolarHBondContact O-N 2.78Å; L67-R70 VanDerWaalsContact O-N 3.08Å; L67-D71 PolarHBondContact O-N 3.13Å; L67-V72 HydrophobicContact CB-CB 4.21Å; L67-V72 PolarHBondContact O-N 3.37Å; L67-T74 HydrophobicContact CB-CG2 4.42Å; L67-T74 HydrophobicContact CD1-CG2 3.89Å; L67-I101 HydrophobicContact CD1-CD1 4.37Å
68A81.6Confident84.4Confident59 Ų5959.6 Ų59.649%0.48829%0.291SS..Hα-helixtrans-72.2-33.9173.700000113.1K64 F65 R70 D71K64-A68 VanDerWaalsContact O-CB 3.3Å; K64-A68 WeakPolarHBondContact O-CB 3.42Å; K64-A68 PolarHBondContact O-N 3.15Å; F65-A68 CarbonylContact O-C 3.57Å; F65-A68 WeakPolarHBondContact O-CB 3.35Å; F65-A68 PolarHBondContact O-N 2.95Å; F65-A68 VanDerWaalsContact O-N 3.12Å; A68-R70 PolarHBondContact O-N 3.3Å; A68-R70 VanDerWaalsContact O-N 3.15Å; A68-D71 PolarHBondContact O-N 3.44Å
69E81.1Confident83.7Confident98 Ų9855.2 Ų55.246%0.45828%0.276SS..THydrogen-bonded Turntrans-63.3-11.7166.4-75.1-154158.200112.4F65 K807F65-E69 HydrophobicContact CD1-CG 4.36Å; F65-E69 HydrophobicContact CE1-CG 3.82Å; F65-E69 HydrophobicContact CZ-CG 4.21Å; F65-E69 PolarHBondContact O-N 3.28Å; E69-K807 VanDerWaalsContact CD-NZ 3.35Å; E69-K807 IonicContact OE1-NZ 2.67Å; E69-K807 PolarHBondContact OE1-NZ 3.37Å; E69-K807 VanDerWaalsContact OE1-NZ 3.09Å; E69-K807 IonicContact OE2-NZ 3.76Å; E69-K807 PolarHBondContact OE2-NZ 3.48Å
70R84.9Confident82.7Confident36 Ų3662.5 Ų62.514%0.13631%0.31CS..THydrogen-bonded Turntrans-114.121.8-178.8-65.5171173.783.3-3.1113L33 D34 A37 R41 E66 L67 A68 V72L33-R70 VanDerWaalsContact CB-CZ 3.49Å; D34-R70 IonicContact OD1-CZ 2.69Å; D34-R70 IonicContact OD1-NE 3.16Å; D34-R70 PolarHBondContact OD1-NE 2.9Å; D34-R70 IonicContact OD1-NH2 2.97Å; D34-R70 PolarHBondContact OD1-NH2 3.14Å; A37-R70 HydrophobicContact CB-CB 3.81Å; A37-R70 HydrophobicContact CB-CG 4.43Å; R41-R70 PolarHBondContact NE-O 3.05Å; R41-R70 PolarHBondContact NH2-O 2.94Å; E66-R70 WeakPolarHBondContact O-CD 3.45Å; E66-R70 VanDerWaalsContact O-CG 3.32Å; E66-R70 WeakPolarHBondContact O-CG 3.31Å; E66-R70 PolarHBondContact O-NH1 3.29Å; E66-R70 IonicContact OE2-CZ 2.71Å; E66-R70 IonicContact OE2-NH1 2.84Å; E66-R70 PolarHBondContact OE2-NH1 3.49Å; E66-R70 IonicContact OE2-NH2 2.85Å; L67-R70 CarbonylContact O-C 3.54Å; L67-R70 VanDerWaalsContact O-C 3.31Å; L67-R70 WeakPolarHBondContact O-CA 3.43Å; L67-R70 WeakPolarHBondContact O-CB 3.4Å; L67-R70 PolarHBondContact O-N 2.78Å; L67-R70 VanDerWaalsContact O-N 3.08Å; A68-R70 PolarHBondContact O-N 3.3Å; A68-R70 VanDerWaalsContact O-N 3.15Å; R70-V72 PolarHBondContact O-N 3.49Å
71D80Confident81.7Confident108 Ų10863.7 Ų63.758%0.57832%0.321SS*.THydrogen-bonded Turntrans56.726.9179.4-72.6-1.7000114.9M1 L67 A68M1-D71 HydrophobicContact CE-CB 4.46Å; M1-D71 VanDerWaalsContact CE-OD2 3.28Å; M1-D71 WeakPolarHBondContact CE-OD2 3.21Å; L67-D71 PolarHBondContact O-N 3.13Å; A68-D71 PolarHBondContact O-N 3.44Å
72V81.2Confident80.6Confident12 Ų1263.8 Ų63.87%0.07334%0.34CS..  trans-105.9106.2174.7-173.50000110.5A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.84Å; L40-V72 HydrophobicContact CB-CG1 3.79Å; L40-V72 HydrophobicContact CD1-CG1 3.9Å; L40-V72 HydrophobicContact CG-CG1 4.47Å; R41-V72 HydrophobicContact CG-CG2 3.79Å; L67-V72 HydrophobicContact CB-CB 4.21Å; L67-V72 PolarHBondContact O-N 3.37Å; R70-V72 PolarHBondContact O-N 3.49Å; V72-T74 HydrophobicContact CG1-CG2 4Å; V72-T74 PolarHBondContact O-N 3.37Å
73N80.4Confident79.7Confident119 Ų11960.1 Ų60.164%0.63633%0.331SS*.  trans-72.8119.5177.1-71-66.6000110.8Q98N73-Q98 HydrophobicContact CB-CG 4.24Å
74T88.9Confident79.2Confident10 Ų1060.2 Ų60.26%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-133.7150.4-176.554.50000111.9L52 K64 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.27Å; K64-T74 WeakPolarHBondContact CE-O 3.45Å; L67-T74 HydrophobicContact CB-CG2 4.42Å; L67-T74 HydrophobicContact CD1-CG2 3.89Å; V72-T74 HydrophobicContact CG1-CG2 4Å; V72-T74 PolarHBondContact O-N 3.37Å; T74-A99 WeakPolarHBondContact CA-O 3.38Å; T74-A99 HydrophobicContact CG2-CB 4.28Å; T74-I101 HydrophobicContact CG2-CD1 4.18Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.3Å
75I89.3Confident78.5Confident35 Ų3558.8 Ų58.818%0.17934%0.341CS..EExtended strand (participates in β ladder)trans-110119.5177.5-71.1168000109.1V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CG2-CG1 3.95Å; I75-I96 HydrophobicContact CD1-CG2 3.18Å; I75-Q98 HydrophobicContact CD1-CB 4.01Å; I75-Q98 HydrophobicContact CG1-CB 4.16Å; I75-A99 PolarHBondContact N-O 3.38Å; I75-L100 HydrophobicContact CB-CD1 4.45Å; I75-L100 HydrophobicContact CG2-CD1 4.11Å; I75-L100 CarbonylContact O-C 3.6Å; I75-L100 WeakPolarHBondContact O-CA 3.41Å; I75-I101 PolarHBondContact O-N 3.15Å
76L88.6Confident78.1Confident23 Ų2358.1 Ų58.112%0.1234%0.339CS..EExtended strand (participates in β ladder)trans-90.4128.3170.4173.362.2000109.2A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.54Å; E61-L76 HydrophobicContact CB-CD2 4.32Å; E61-L76 HydrophobicContact CG-CD2 3.5Å; E61-L76 VanDerWaalsContact CG-CD2 3.5Å; K64-L76 HydrophobicContact CD-CB 3.79Å; K64-L76 HydrophobicContact CD-CD2 4.46Å; K64-L76 HydrophobicContact CG-CB 4.48Å; L76-P78 WeakPolarHBondContact O-CD 3.08Å; L76-I101 WeakPolarHBondContact CA-O 3.28Å; L76-I101 HydrophobicContact CD1-CB 4.16Å; L76-I101 HydrophobicContact CD1-CG2 3.97Å
77L79.6Confident77.8Confident4 Ų458.3 Ų58.32%0.02134%0.343CS..  trans-84.6111.1166.6-75168.8000109.9V84 V87 L88 L100 I101 M106L77-V84 HydrophobicContact CD2-CG1 4.47Å; L77-V84 HydrophobicContact CD2-CG2 4.28Å; L77-V87 HydrophobicContact CD2-CB 3.99Å; L77-V87 HydrophobicContact CD2-CG1 3.82Å; L77-L88 HydrophobicContact CD1-CD1 4.18Å; L77-L88 HydrophobicContact CD1-CD2 3.66Å; L77-L88 HydrophobicContact CD1-CG 3.79Å; L77-L88 HydrophobicContact CD2-CG 4.32Å; L77-L100 HydrophobicContact CD1-CD1 3.84Å; L77-L100 HydrophobicContact CD1-CD2 3.95Å; L77-L100 HydrophobicContact CD1-CG 4.06Å; L77-L100 HydrophobicContact CG-CD1 3.89Å; L77-I101 PolarHBondContact N-O 3.42Å; L77-M106 HydrophobicContact CB-CE 4.06Å
78P72.3Confident77.7Confident63 Ų6358.9 Ų58.941%0.40935%0.346SS..  trans-76.8137.8177.931.4-33.6000110.5L76 H80 G81 V84L76-P78 WeakPolarHBondContact O-CD 3.08Å; P78-H80 PolarHBondContact O-N 3.23Å; P78-G81 PolarHBondContact O-N 2.82Å; P78-G81 VanDerWaalsContact O-N 3.1Å; P78-V84 WeakPolarHBondContact O-CG2 3.3Å
79P65.1Low77.6Confident36 Ų3661 Ų6123%0.23435%0.348CS..THydrogen-bonded Turntrans-64.7-14-166.120.3-32.3000116.5N57 M106N57-P79 HydrophobicContact CB-CG 4.37Å; N57-P79 WeakPolarHBondContact OD1-CD 3.16Å; P79-M106 VanDerWaalsContact CA-SD 3.53Å; P79-M106 HydrophobicContact CB-CG 4.25Å; P79-M106 HydrophobicContact CB-SD 4.1Å
80H65.9Low77.6Confident188 Ų18860.1 Ų60.187%0.8735%0.346SS*.THydrogen-bonded Turntrans-128.629.7178.6-52-40.8000112.3P78P78-H80 PolarHBondContact O-N 3.23Å
81G65.2Low77.7Confident24 Ų2458.5 Ų58.525%0.24734%0.34CS..  trans-79.6116.9179.900000113.3P78 M83 V84P78-G81 PolarHBondContact O-N 2.82Å; P78-G81 VanDerWaalsContact O-N 3.1Å; G81-M83 PolarHBondContact O-N 3.23Å; G81-V84 WeakPolarHBondContact O-CB 3.26Å; G81-V84 WeakPolarHBondContact O-CG2 3.41Å; G81-V84 PolarHBondContact O-N 2.93Å
82A64.3Low77.6Confident108 Ų10854.9 Ų54.989%0.89332%0.324SS*.THydrogen-bonded Turntrans-60.4-2.9174.100000115.5
83M66.8Low77.5Confident85 Ų8561.3 Ų61.342%0.41935%0.35SS..THydrogen-bonded Turntrans-105.8-2.7175.6-55.3-69.1-60.600113.1G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 3.23Å; M83-G85 PolarHBondContact O-N 2.96Å; M83-Q86 WeakPolarHBondContact O-CB 3.46Å; M83-Q86 PolarHBondContact O-N 2.97Å; M83-V87 HydrophobicContact CB-CG2 4.43Å; M83-V87 PolarHBondContact O-N 2.91Å
84V77.7Confident77.1Confident13 Ų1357.3 Ų57.38%0.07934%0.337CS..Hα-helixtrans-50.4-53.9-171.6157.40000112.3L77 P78 G81 Q86 V87 L88 M106 H109L77-V84 HydrophobicContact CD2-CG1 4.47Å; L77-V84 HydrophobicContact CD2-CG2 4.28Å; P78-V84 WeakPolarHBondContact O-CG2 3.3Å; G81-V84 WeakPolarHBondContact O-CB 3.26Å; G81-V84 WeakPolarHBondContact O-CG2 3.41Å; G81-V84 PolarHBondContact O-N 2.93Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 2.86Å; V84-V87 PolarHBondContact O-N 3.36Å; V84-L88 HydrophobicContact CG1-CD1 3.78Å; V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 PolarHBondContact O-N 3.36Å; V84-M106 HydrophobicContact CB-CE 4.32Å; V84-M106 HydrophobicContact CG1-CE 3.62Å; V84-M106 HydrophobicContact CG2-CE 3.66Å; V84-H109 HydrophobicContact CG1-CB 4.43Å
85G75.7Confident76.5Confident52 Ų5265.3 Ų65.354%0.53637%0.368SS..Hα-helixtrans-63.3-29.818000000113.8M83 L89M83-G85 PolarHBondContact O-N 2.96Å; G85-L89 VanDerWaalsContact O-CB 3.22Å; G85-L89 WeakPolarHBondContact O-CB 3.37Å; G85-L89 PolarHBondContact O-N 2.88Å
86Q78.9Confident76.1Confident115 Ų11565.4 Ų65.454%0.53737%0.368SS..Hα-helixtrans-74.9-39.1175.6-64.7-176-5.100111.7M83 V84 L89 L90M83-Q86 WeakPolarHBondContact O-CB 3.46Å; M83-Q86 PolarHBondContact O-N 2.97Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 2.86Å; Q86-L89 PolarHBondContact O-N 3.35Å; Q86-L90 WeakPolarHBondContact O-CB 3.28Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.35Å; Q86-L90 PolarHBondContact O-N 2.9Å
87V81.6Confident75.5Confident37 Ų3767.3 Ų67.322%0.22438%0.378CS..Hα-helixtrans-66-45.3175.2175.60000110.4I75 L77 M83 V84 L89 L90 W91I75-V87 HydrophobicContact CG2-CG1 3.95Å; L77-V87 HydrophobicContact CD2-CB 3.99Å; L77-V87 HydrophobicContact CD2-CG1 3.82Å; M83-V87 HydrophobicContact CB-CG2 4.43Å; M83-V87 PolarHBondContact O-N 2.91Å; V84-V87 PolarHBondContact O-N 3.36Å; V87-L89 PolarHBondContact O-N 2.9Å; V87-L90 PolarHBondContact O-N 2.62Å; V87-W91 VanDerWaalsContact O-CB 3.31Å; V87-W91 WeakPolarHBondContact O-CB 3.45Å; V87-W91 PolarHBondContact O-N 3.01Å
88L83.1Confident75.9Confident12 Ų1270.9 Ų70.96%0.06340%0.395CS..Hα-helixtrans-60.7-41.9174.7-80.5164.8000112.5L77 V84 W91 S92 L100 H109L77-L88 HydrophobicContact CD1-CD1 4.18Å; L77-L88 HydrophobicContact CD1-CD2 3.66Å; L77-L88 HydrophobicContact CD1-CG 3.79Å; L77-L88 HydrophobicContact CD2-CG 4.32Å; V84-L88 HydrophobicContact CG1-CD1 3.78Å; V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 PolarHBondContact O-N 3.36Å; L88-W91 PolarHBondContact O-N 3.43Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.44Å; L88-S92 PolarHBondContact O-OG 3.28Å; L88-L100 HydrophobicContact CD2-CD2 3.95Å; L88-H109 WeakPolarHBondContact CD1-O 3.38Å
89L80Confident76.6Confident102 Ų10268.4 Ų68.453%0.53438%0.38SS..Hα-helixtrans-65.8-40.2176.9-179.462000112.7G85 Q86 V87 S92 K93G85-L89 VanDerWaalsContact O-CB 3.22Å; G85-L89 WeakPolarHBondContact O-CB 3.37Å; G85-L89 PolarHBondContact O-N 2.88Å; Q86-L89 PolarHBondContact O-N 3.35Å; V87-L89 PolarHBondContact O-N 2.9Å; L89-S92 PolarHBondContact O-OG 2.9Å; L89-S92 VanDerWaalsContact O-OG 3.14Å; L89-K93 HydrophobicContact CD1-CG 4.24Å; L89-K93 WeakPolarHBondContact O-CB 3.34Å; L89-K93 VanDerWaalsContact O-CG 3.25Å; L89-K93 WeakPolarHBondContact O-CG 3.37Å; L89-K93 PolarHBondContact O-N 3.45Å; L89-K93 VanDerWaalsContact O-N 3.13Å
90L80.4Confident77.8Confident81 Ų8166.7 Ų66.742%0.42437%0.369SS..Hα-helixtrans-70.3-35.3177.1-70.7170.6000112Q86 V87 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.28Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.35Å; Q86-L90 PolarHBondContact O-N 2.9Å; V87-L90 PolarHBondContact O-N 2.62Å; L90-G94 PolarHBondContact O-N 3.34Å; L90-Y95 HydrophobicContact CD2-CD2 3.79Å; L90-Y95 HydrophobicContact CD2-CG 4.22Å; L90-Y95 WeakPolarHBondContact O-CB 3.32Å; L90-Y95 PolarHBondContact O-N 3.18Å; L90-I96 HydrophobicContact CB-CD1 3.52Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.34Å
91W86.5Confident79Confident1 Ų157.8 Ų57.80%0.00433%0.327CS..Hα-helixtrans-69.5-47.7174.7-167.684.1000112.2K49 T50 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.7Å; K49-W91 HydrophobicContact CB-CZ2 3.86Å; K49-W91 HydrophobicContact CB-CZ3 4.36Å; K49-W91 HydrophobicContact CG-CH2 4.4Å; K49-W91 HydrophobicContact CG-CZ2 4.4Å; T50-W91 WeakPolarHBondContact O-CZ2 3.33Å; I51-W91 HydrophobicContact CD1-CH2 4.17Å; I51-W91 HydrophobicContact CD1-CZ3 4.39Å; I51-W91 HydrophobicContact CG1-CH2 3.6Å; I51-W91 HydrophobicContact CG1-CZ2 4.32Å; I51-W91 HydrophobicContact CG1-CZ3 4.25Å; V87-W91 VanDerWaalsContact O-CB 3.31Å; V87-W91 WeakPolarHBondContact O-CB 3.45Å; V87-W91 PolarHBondContact O-N 3.01Å; L88-W91 PolarHBondContact O-N 3.43Å; W91-K93 PolarHBondContact O-N 2.97Å; W91-G94 PolarHBondContact O-N 2.91Å; W91-I96 HydrophobicContact CB-CB 4.41Å; W91-Q98 PolarHBondContact NE1-O 3.33Å; W91-L100 HydrophobicContact CD2-CB 4.33Å; W91-L100 HydrophobicContact CD2-CD2 3.99Å; W91-L100 HydrophobicContact CE3-CD2 3.97Å; W91-L100 HydrophobicContact CG-CD1 4.5Å; W91-L100 HydrophobicContact CH2-CB 4.38Å; W91-L100 HydrophobicContact CH2-CD2 4.4Å; W91-L100 HydrophobicContact CZ2-CB 3.76Å; W91-L100 HydrophobicContact CZ2-CD2 4.42Å; W91-L100 HydrophobicContact CZ3-CD2 4.18Å; W91-V113 HydrophobicContact CE3-CG1 3.7Å; W91-V113 HydrophobicContact CZ3-CG1 3.53Å; W91-A115 HydrophobicContact CH2-CB 4.22Å
92S78.8Confident80.2Confident33 Ų3356.6 Ų56.623%0.23132%0.316CS..Hα-helixtrans-62.2-32.3177.973.10000112.5K49 L88 L89K49-S92 PolarHBondContact NZ-O 3.41Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.44Å; L88-S92 PolarHBondContact O-OG 3.28Å; L89-S92 PolarHBondContact O-OG 2.9Å; L89-S92 VanDerWaalsContact O-OG 3.14Å
93K78.8Confident81.4Confident146 Ų14651.9 Ų51.964%0.63528%0.276SS*.THydrogen-bonded Turntrans-83.40.3174.3-67.1-65-177.6-174.20115.4L89 W91 Y95L89-K93 HydrophobicContact CD1-CG 4.24Å; L89-K93 WeakPolarHBondContact O-CB 3.34Å; L89-K93 VanDerWaalsContact O-CG 3.25Å; L89-K93 WeakPolarHBondContact O-CG 3.37Å; L89-K93 PolarHBondContact O-N 3.45Å; L89-K93 VanDerWaalsContact O-N 3.13Å; W91-K93 PolarHBondContact O-N 2.97Å; K93-Y95 VanDerWaalsContact C-N 3.34Å; K93-Y95 HydrophobicContact CB-CD2 3.66Å; K93-Y95 HydrophobicContact CB-CE2 3.65Å; K93-Y95 HydrophobicContact CG-CE2 4.47Å; K93-Y95 PolarHBondContact O-N 2.96Å
94G72.1Confident82.3Confident35 Ų3549.5 Ų49.536%0.36127%0.265SS..THydrogen-bonded Turntrans73.620.1176.700000114.9L90 W91 N97L90-G94 PolarHBondContact O-N 3.34Å; W91-G94 PolarHBondContact O-N 2.91Å; G94-N97 PolarHBondContact O-OD1 3.45Å
95Y75.7Confident82.5Confident179 Ų17951.3 Ų51.370%0.70229%0.286SS*.SBendtrans-81.4-6.4167.5-62.4-69.3000112.4L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.79Å; L90-Y95 HydrophobicContact CD2-CG 4.22Å; L90-Y95 WeakPolarHBondContact O-CB 3.32Å; L90-Y95 PolarHBondContact O-N 3.18Å; K93-Y95 VanDerWaalsContact C-N 3.34Å; K93-Y95 HydrophobicContact CB-CD2 3.66Å; K93-Y95 HydrophobicContact CB-CE2 3.65Å; K93-Y95 HydrophobicContact CG-CE2 4.47Å; K93-Y95 PolarHBondContact O-N 2.96Å
96I80.4Confident82.9Confident36 Ų3649 Ų4919%0.18526%0.261CS..  trans-141.8108.5-176.3-58.2-179.8000108.2I75 L90 W91I75-I96 HydrophobicContact CD1-CG2 3.18Å; L90-I96 HydrophobicContact CB-CD1 3.52Å; L90-I96 HydrophobicContact CB-CG1 3.95Å; L90-I96 HydrophobicContact CD1-CD1 4.34Å; W91-I96 HydrophobicContact CB-CB 4.41Å
97N77.7Confident83Confident63 Ų6343.8 Ų43.834%0.33724%0.237SC..  trans-100.97.5-173-53.6-14.8000113.5A45 N46 G94A45-N97 WeakPolarHBondContact O-CB 3.49Å; N46-N97 PolarHBondContact OD1-ND2 3.22Å; G94-N97 PolarHBondContact O-OD1 3.45Å
98Q86.2Confident82.8Confident80 Ų8047.7 Ų47.737%0.37425%0.253SS..SBendtrans-78145.7178.2-65.2-178.414.700110.8N73 I75 W91N73-Q98 HydrophobicContact CB-CG 4.24Å; I75-Q98 HydrophobicContact CD1-CB 4.01Å; I75-Q98 HydrophobicContact CG1-CB 4.16Å; W91-Q98 PolarHBondContact NE1-O 3.33Å
99A88.1Confident82.4Confident11 Ų1151.3 Ų51.39%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-64.6140.1178.100000111.7L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.87Å; T50-A99 HydrophobicContact CG2-CB 4.42Å; T50-A99 WeakPolarHBondContact O-CA 3.16Å; L52-A99 HydrophobicContact CD1-CB 3.86Å; T74-A99 WeakPolarHBondContact CA-O 3.38Å; T74-A99 HydrophobicContact CG2-CB 4.28Å; I75-A99 PolarHBondContact N-O 3.38Å
100L90.2Very high82.1Confident0 Ų047 Ų470%025%0.247CC..EExtended strand (participates in β ladder)trans-100.3110.7-168.8-169.770.9000110.9T50 I51 L52 I75 L77 L88 W91 L102T50-L100 PolarHBondContact O-N 3.25Å; I51-L100 CarbonylContact C-O 3.57Å; I51-L100 WeakPolarHBondContact CA-O 3.32Å; L52-L100 PolarHBondContact N-O 3.05Å; I75-L100 HydrophobicContact CB-CD1 4.45Å; I75-L100 HydrophobicContact CG2-CD1 4.11Å; I75-L100 CarbonylContact O-C 3.6Å; I75-L100 WeakPolarHBondContact O-CA 3.41Å; L77-L100 HydrophobicContact CD1-CD1 3.84Å; L77-L100 HydrophobicContact CD1-CD2 3.95Å; L77-L100 HydrophobicContact CD1-CG 4.06Å; L77-L100 HydrophobicContact CG-CD1 3.89Å; L88-L100 HydrophobicContact CD2-CD2 3.95Å; W91-L100 HydrophobicContact CD2-CB 4.33Å; W91-L100 HydrophobicContact CD2-CD2 3.99Å; W91-L100 HydrophobicContact CE3-CD2 3.97Å; W91-L100 HydrophobicContact CG-CD1 4.5Å; W91-L100 HydrophobicContact CH2-CB 4.38Å; W91-L100 HydrophobicContact CH2-CD2 4.4Å; W91-L100 HydrophobicContact CZ2-CB 3.76Å; W91-L100 HydrophobicContact CZ2-CD2 4.42Å; W91-L100 HydrophobicContact CZ3-CD2 4.18Å; L100-L102 HydrophobicContact CD2-CD2 4.3Å
101I91.6Very high81.7Confident0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-90.7132.3174.9-52.4172.3000109.6L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.39Å; L52-I101 HydrophobicContact CB-CG1 3.93Å; L52-I101 HydrophobicContact CD1-CD1 4.46Å; L52-I101 HydrophobicContact CD1-CG1 3.72Å; L52-I101 HydrophobicContact CG-CG1 4.47Å; L52-I101 WeakPolarHBondContact O-CA 3.29Å; A60-I101 HydrophobicContact CB-CG2 3.78Å; L63-I101 HydrophobicContact CD2-CD1 4.33Å; L63-I101 HydrophobicContact CD2-CG1 4.47Å; L63-I101 HydrophobicContact CD2-CG2 4.12Å; L63-I101 HydrophobicContact CG-CD1 4.2Å; K64-I101 HydrophobicContact CB-CD1 3.8Å; K64-I101 HydrophobicContact CG-CD1 4.15Å; L67-I101 HydrophobicContact CD1-CD1 4.37Å; T74-I101 HydrophobicContact CG2-CD1 4.18Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.3Å; I75-I101 PolarHBondContact O-N 3.15Å; L76-I101 WeakPolarHBondContact CA-O 3.28Å; L76-I101 HydrophobicContact CD1-CB 4.16Å; L76-I101 HydrophobicContact CD1-CG2 3.97Å; L77-I101 PolarHBondContact N-O 3.42Å
102L90.1Very high80.8Confident0 Ų051 Ų510%028%0.282CS..EExtended strand (participates in β ladder)trans-147.7158.2175.561.895.7000111.8I51 L52 I53 C54 L100 M106 L107 L110I51-L102 HydrophobicContact CG2-CD2 3.66Å; I51-L102 HydrophobicContact CG2-CG 4.21Å; L52-L102 PolarHBondContact O-N 3.27Å; I53-L102 WeakPolarHBondContact CA-O 3.45Å; I53-L102 HydrophobicContact CG1-CD1 4.15Å; I53-L102 HydrophobicContact CG2-CD1 4.24Å; C54-L102 PolarHBondContact N-O 3.33Å; L100-L102 HydrophobicContact CD2-CD2 4.3Å; L102-M106 HydrophobicContact CB-CB 4.18Å; L102-L107 HydrophobicContact CD1-CD2 3.73Å; L102-L107 HydrophobicContact CD1-CG 4.3Å; L102-L110 HydrophobicContact CD1-CD1 4.26Å; L102-L110 HydrophobicContact CD2-CD1 3.83Å; L102-L110 HydrophobicContact CD2-CD2 4.13Å; L102-L110 HydrophobicContact CD2-CG 4.24Å
103C89.6Confident80.5Confident8 Ų849.7 Ų49.75%0.05427%0.273CS..EExtended strand (participates in β ladder)trans-101.6166.2172.658.90000111.7C54 G105 M106C54-C103 CarbonylContact O-C 3.52Å; C54-C103 VanDerWaalsContact O-CA 3.27Å; C54-C103 WeakPolarHBondContact O-CA 3.33Å; C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 3.33Å; C103-G105 VanDerWaalsContact O-N 3.15Å; C103-M106 WeakPolarHBondContact O-CB 3.48Å; C103-M106 PolarHBondContact O-N 3.31Å
104D85.2Confident80.1Confident36 Ų3649.8 Ų49.819%0.19328%0.276CS..G310 helixtrans-53.3-39.1-178.4-75.5-33.7000113.8C54 Q55 M106 L107 R132C54-D104 PolarHBondContact O-N 3.2Å; C54-D104 VanDerWaalsContact O-N 3.16Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.13Å; D104-M106 PolarHBondContact O-N 3.33Å; D104-L107 HydrophobicContact CB-CD1 4.18Å; D104-L107 WeakPolarHBondContact O-CB 3.5Å; D104-L107 VanDerWaalsContact O-CG 3.32Å; D104-L107 WeakPolarHBondContact O-CG 3.18Å; D104-L107 PolarHBondContact O-N 2.95Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.09Å; D104-R132 IonicContact OD1-CZ 2.71Å; D104-R132 IonicContact OD1-NE 3.77Å; D104-R132 PolarHBondContact OD1-NE 2.85Å; D104-R132 IonicContact OD1-NH2 3.21Å; D104-R132 PolarHBondContact OD1-NH2 2.69Å; D104-R132 IonicContact OD2-CZ 2.67Å; D104-R132 IonicContact OD2-NE 2.99Å; D104-R132 IonicContact OD2-NH2 2.72Å; D104-R132 PolarHBondContact OD2-NH2 2.84Å
105G81.3Confident80.5Confident51 Ų5148.4 Ų48.453%0.52626%0.261SS..G310 helixtrans-65.25.8174.500000115.8C103C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 3.33Å; C103-G105 VanDerWaalsContact O-N 3.15Å
106M83.8Confident80.8Confident2 Ų243.4 Ų43.41%0.0125%0.247CC..G310 helixtrans-117.41.8173.8-69.7-62-82.600113.5L77 P79 V84 L102 C103 D104 E108 H109 L110L77-M106 HydrophobicContact CB-CE 4.06Å; P79-M106 VanDerWaalsContact CA-SD 3.53Å; P79-M106 HydrophobicContact CB-CG 4.25Å; P79-M106 HydrophobicContact CB-SD 4.1Å; V84-M106 HydrophobicContact CB-CE 4.32Å; V84-M106 HydrophobicContact CG1-CE 3.62Å; V84-M106 HydrophobicContact CG2-CE 3.66Å; L102-M106 HydrophobicContact CB-CB 4.18Å; C103-M106 WeakPolarHBondContact O-CB 3.48Å; C103-M106 PolarHBondContact O-N 3.31Å; D104-M106 PolarHBondContact O-N 3.33Å; M106-E108 PolarHBondContact O-N 3.06Å; M106-H109 HydrophobicContact CE-CB 4.15Å; M106-H109 WeakPolarHBondContact O-CB 3.43Å; M106-H109 PolarHBondContact O-N 2.9Å; M106-H109 VanDerWaalsContact O-N 3.1Å; M106-H109 HydrophobicContact SD-CB 4.31Å; M106-L110 WeakPolarHBondContact O-CD1 3.49Å
107L82.1Confident81.1Confident7 Ų741.7 Ų41.74%0.03724%0.238CC..G310 helixtrans-65.3-39.7-179.1-68.2168000112.6I53 L102 D104 H109 L110 R132 W135I53-L107 HydrophobicContact CD1-CD2 4.17Å; L102-L107 HydrophobicContact CD1-CD2 3.73Å; L102-L107 HydrophobicContact CD1-CG 4.3Å; D104-L107 HydrophobicContact CB-CD1 4.18Å; D104-L107 WeakPolarHBondContact O-CB 3.5Å; D104-L107 VanDerWaalsContact O-CG 3.32Å; D104-L107 WeakPolarHBondContact O-CG 3.18Å; D104-L107 PolarHBondContact O-N 2.95Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.09Å; L107-H109 PolarHBondContact O-N 3.46Å; L107-L110 HydrophobicContact CD2-CD1 4.2Å; L107-L110 WeakPolarHBondContact O-CD1 3.41Å; L107-L110 PolarHBondContact O-N 2.85Å; L107-R132 HydrophobicContact CD1-CB 3.92Å; L107-R132 HydrophobicContact CD1-CG 3.75Å; L107-W135 HydrophobicContact CB-CB 4.01Å; L107-W135 HydrophobicContact CB-CG 4.05Å
108E76.8Confident81.6Confident119 Ų11938.7 Ų38.756%0.55622%0.222SC*.G310 helixtrans-60.1-26.8172.970-177177.600112.9M106 W135M106-E108 PolarHBondContact O-N 3.06Å; E108-W135 HydrophobicContact CB-CH2 3.88Å; E108-W135 HydrophobicContact CB-CZ2 3.98Å; E108-W135 HydrophobicContact CB-CZ3 4.23Å
109H74.9Confident81.8Confident87 Ų8734.9 Ų34.940%0.40320%0.204SC..G310 helixtrans-84.2-14.7-173.8-7785.9000113.8V84 L88 M106 L107V84-H109 HydrophobicContact CG1-CB 4.43Å; L88-H109 WeakPolarHBondContact CD1-O 3.38Å; M106-H109 HydrophobicContact CE-CB 4.15Å; M106-H109 WeakPolarHBondContact O-CB 3.43Å; M106-H109 PolarHBondContact O-N 2.9Å; M106-H109 VanDerWaalsContact O-N 3.1Å; M106-H109 HydrophobicContact SD-CB 4.31Å; L107-H109 PolarHBondContact O-N 3.46Å
110L74.8Confident81.9Confident12 Ų1234.4 Ų34.46%0.06320%0.2CC..  trans-63.1-44-179.9-81.8105.5000112.3I51 L102 M106 L107 V113I51-L110 HydrophobicContact CD1-CD2 3.71Å; L102-L110 HydrophobicContact CD1-CD1 4.26Å; L102-L110 HydrophobicContact CD2-CD1 3.83Å; L102-L110 HydrophobicContact CD2-CD2 4.13Å; L102-L110 HydrophobicContact CD2-CG 4.24Å; M106-L110 WeakPolarHBondContact O-CD1 3.49Å; L107-L110 HydrophobicContact CD2-CD1 4.2Å; L107-L110 WeakPolarHBondContact O-CD1 3.41Å; L107-L110 PolarHBondContact O-N 2.85Å; L110-V113 HydrophobicContact CB-CG2 3.98Å; L110-V113 HydrophobicContact CD2-CG2 4.26Å; L110-V113 WeakPolarHBondContact O-CG2 3.48Å
111G70.5Confident81.8Confident41 Ų4135.5 Ų35.542%0.42321%0.207SC..  trans65.3-150.2-164.100000111.5S139G111-S139 VanDerWaalsContact O-CA 3.27Å; G111-S139 WeakPolarHBondContact O-CA 3.32Å; G111-S139 WeakPolarHBondContact O-CB 3.37Å; G111-S139 PolarHBondContact O-OG 2.83Å; G111-S139 VanDerWaalsContact O-OG 3.09Å
112V67.4Low81.4Confident124 Ų12437.5 Ų37.575%0.75222%0.219SC*.SBendtrans-86.6117177-177.30000109.6
113V72.4Confident80.9Confident6 Ų640.5 Ų40.54%0.03623%0.234CC..  trans-142.8111.5-174.6-157.20000111W91 L110 A115 S139W91-V113 HydrophobicContact CE3-CG1 3.7Å; W91-V113 HydrophobicContact CZ3-CG1 3.53Å; L110-V113 HydrophobicContact CB-CG2 3.98Å; L110-V113 HydrophobicContact CD2-CG2 4.26Å; L110-V113 WeakPolarHBondContact O-CG2 3.48Å; V113-A115 PolarHBondContact O-N 2.78Å; V113-A115 VanDerWaalsContact O-N 3.11Å; V113-S139 CarbonylContact C-O 3.52Å; V113-S139 PolarHBondContact N-O 2.87Å
114E71.3Confident80.4Confident148 Ų14840.8 Ų40.869%0.69224%0.236SC*.  trans-60115.6171.6-65173158.800110.2K49K49-E114 WeakPolarHBondContact CD-O 3.41Å; K49-E114 IonicContact NZ-OE2 2.86Å
115A79.8Confident80.1Confident6 Ų645.3 Ų45.35%0.0526%0.256CS..  trans-129.5140172.100000108.7I51 W91 V113 A140 A143I51-A115 HydrophobicContact CD1-CB 3.56Å; I51-A115 HydrophobicContact CG1-CB 3.94Å; W91-A115 HydrophobicContact CH2-CB 4.22Å; V113-A115 PolarHBondContact O-N 2.78Å; V113-A115 VanDerWaalsContact O-N 3.11Å; A115-A140 HydrophobicContact CB-CB 4.21Å; A115-A143 VanDerWaalsContact O-CB 3.28Å; A115-A143 WeakPolarHBondContact O-CB 3.49Å
116N83.1Confident79.7Confident75 Ų7548.3 Ų48.340%0.40126%0.26SS..SBendtrans-87.9-31.1-177.2-56.388000111.6E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.22Å; E48-N116 HydrophobicContact CG-CB 4.36Å; K49-N116 PolarHBondContact N-OD1 3.21Å; K49-N116 PolarHBondContact O-N 3.27Å; N116-E144 PolarHBondContact O-N 2.89Å
117L85.7Confident79.3Confident0 Ų054.4 Ų54.40%029%0.292CS..EExtended strand (participates in β ladder)trans-139.3133.4-178.5176.466.6000110.1T39 K49 T50 I51 I119 E144 L146T39-L117 HydrophobicContact CG2-CD2 4.3Å; K49-L117 PolarHBondContact O-N 3.4Å; T50-L117 WeakPolarHBondContact CA-O 3.49Å; T50-L117 HydrophobicContact CG2-CB 4.16Å; T50-L117 HydrophobicContact CG2-CD2 3.83Å; T50-L117 HydrophobicContact CG2-CG 4.03Å; I51-L117 PolarHBondContact N-O 3.3Å; L117-I119 HydrophobicContact CD1-CG1 4.27Å; L117-I119 HydrophobicContact CD2-CD1 3.77Å; L117-I119 HydrophobicContact CD2-CG1 3.83Å; L117-I119 HydrophobicContact CG-CD1 4.29Å; L117-I119 HydrophobicContact CG-CG1 3.78Å; L117-E144 WeakPolarHBondContact CA-O 3.44Å; L117-E144 HydrophobicContact CD1-CB 4.08Å; L117-E144 HydrophobicContact CD1-CG 4.23Å; L117-E144 WeakPolarHBondContact CD1-O 3.4Å; L117-L146 HydrophobicContact CD1-CB 4.04Å
118V88.8Confident79Confident0 Ų058.6 Ų58.60%031%0.31CS..EExtended strand (participates in β ladder)trans-118.6124.4169.3177.20000108.3I51 I53 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.32Å; I51-V118 HydrophobicContact CD1-CG2 4.41Å; I53-V118 HydrophobicContact CD1-CG1 3.46Å; I53-V118 VanDerWaalsContact CD1-CG1 3.46Å; I53-V118 HydrophobicContact CG1-CG1 4.11Å; V118-L136 HydrophobicContact CG1-CD1 4.09Å; V118-L136 HydrophobicContact CG1-CD2 4.29Å; V118-L136 HydrophobicContact CG2-CD2 4.37Å; V118-A140 HydrophobicContact CG2-CB 4.21Å; V118-A143 HydrophobicContact CG2-CB 3.88Å; V118-E144 PolarHBondContact N-O 3Å; V118-M145 HydrophobicContact CB-CE 4.41Å; V118-M145 HydrophobicContact CB-SD 3.7Å; V118-M145 HydrophobicContact CG1-SD 4.04Å; V118-M145 HydrophobicContact CG2-CE 4.36Å; V118-M145 HydrophobicContact CG2-SD 4.29Å; V118-L146 PolarHBondContact O-N 3.37Å
119I90.9Very high79.3Confident0 Ų053.9 Ų53.90%029%0.288CS..EExtended strand (participates in β ladder)trans-112.8115.4-179.5-45.4178.8000109.7L36 T39 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD2-CD1 4.19Å; L36-I119 HydrophobicContact CD2-CG2 3.75Å; T39-I119 HydrophobicContact CG2-CD1 4.48Å; L40-I119 HydrophobicContact CD2-CD1 4.19Å; T50-I119 HydrophobicContact CG2-CD1 3.89Å; T50-I119 HydrophobicContact CG2-CG1 4.13Å; I51-I119 PolarHBondContact O-N 3.35Å; L52-I119 WeakPolarHBondContact CA-O 3.48Å; L52-I119 HydrophobicContact CD2-CB 4.05Å; L52-I119 HydrophobicContact CD2-CD1 3.99Å; L52-I119 HydrophobicContact CD2-CG1 4.48Å; L52-I119 HydrophobicContact CD2-CG2 4.42Å; I53-I119 PolarHBondContact N-O 3.12Å; L117-I119 HydrophobicContact CD1-CG1 4.27Å; L117-I119 HydrophobicContact CD2-CD1 3.77Å; L117-I119 HydrophobicContact CD2-CG1 3.83Å; L117-I119 HydrophobicContact CG-CD1 4.29Å; L117-I119 HydrophobicContact CG-CG1 3.78Å; I119-T121 HydrophobicContact CG2-CG2 4.24Å; I119-T121 PolarHBondContact O-N 3.31Å; I119-L146 CarbonylContact C-O 3.6Å; I119-L146 WeakPolarHBondContact CA-O 3.33Å; I119-L146 HydrophobicContact CD1-CD2 4.2Å; I119-L146 HydrophobicContact CG1-CB 4.27Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.25Å; I119-L146 HydrophobicContact CG2-CD2 3.98Å; I119-L146 HydrophobicContact CG2-CG 4.08Å; I119-I148 HydrophobicContact CG2-CD1 4.3Å
120H90.8Very high79.5Confident0 Ų055.3 Ų55.30%030%0.295CS..EExtended strand (participates in β ladder)trans-83.7107.2170.3-56.9-71.2000109.2R132 L146 V147 I148H120-R132 WeakPolarHBondContact ND1-CD 3.45Å; H120-R132 PolarHBondContact ND1-NH1 3.18Å; H120-L146 PolarHBondContact N-O 3.24Å; H120-V147 HydrophobicContact CB-CG2 4.37Å; H120-I148 PolarHBondContact O-N 3.44Å
121T86.9Confident79.7Confident24 Ų2460.1 Ų60.115%0.14732%0.317CS..SBendtrans-89.8-21.9-178.362.60000113L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD1-CG2 4.04Å; L36-T121 HydrophobicContact CD2-CG2 4.02Å; L52-T121 HydrophobicContact CD2-CG2 3.81Å; I53-T121 PolarHBondContact O-N 2.98Å; I53-T121 PolarHBondContact O-OG1 3.04Å; I53-T121 VanDerWaalsContact O-OG1 3.13Å; C54-T121 PolarHBondContact SG-OG1 3.13Å; L63-T121 HydrophobicContact CD2-CG2 3.82Å; I119-T121 HydrophobicContact CG2-CG2 4.24Å; I119-T121 PolarHBondContact O-N 3.31Å
122T83.2Confident80.5Confident42 Ų4258.2 Ų58.226%0.25830%0.297SS..SBendtrans-135.4139.5167.644.30000109.5C54 Q55 E59 R132C54-T122 WeakPolarHBondContact CA-OG1 3.49Å; Q55-T122 PolarHBondContact N-OG1 2.78Å; E59-T122 PolarHBondContact OE2-OG1 3.34Å; T122-R132 PolarHBondContact O-NH1 3.41Å
123L80.4Confident81.2Confident62 Ų6254.5 Ų54.533%0.32527%0.273SS..PPolyproline II helixtrans-99.9121-179.6-80.4168.7000110.2F129 V147L123-F129 HydrophobicContact CD2-CD2 3.94Å; L123-F129 HydrophobicContact CD2-CE2 3.72Å; L123-F129 HydrophobicContact CD2-CZ 4.18Å; L123-V147 HydrophobicContact CD1-CG1 3.65Å; L123-V147 HydrophobicContact CD2-CG1 3.76Å; L123-V147 HydrophobicContact CG-CG1 3.89Å
124P78.3Confident81.5Confident14 Ų1461.2 Ų61.29%0.09130%0.301CS..PPolyproline II helixtrans-83.5171.9171.237.4-36000110.8Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.28Å; P124-K128 HydrophobicContact CB-CB 3.89Å; P124-K128 HydrophobicContact CG-CB 4.1Å; P124-F129 HydrophobicContact CG-CB 4.1Å; P124-F129 HydrophobicContact CG-CD2 4.48Å
125E78.1Confident81.9Confident131 Ų13158.5 Ų58.561%0.61229%0.285SS*.PPolyproline II helixtrans-50.7147.3170.8-59.7161.1142.900111.9N127 K128 F129E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3.02Å; E125-N127 VanDerWaalsContact O-N 3.1Å; E125-K128 WeakPolarHBondContact O-CA 3.12Å; E125-K128 WeakPolarHBondContact O-CB 3.42Å; E125-K128 PolarHBondContact O-N 3.03Å; E125-K128 IonicContact OE2-NZ 3.57Å; E125-K128 PolarHBondContact OE2-NZ 3.27Å; E125-F129 PolarHBondContact O-N 3.39Å
126L74.8Confident81.9Confident114 Ų11458.3 Ų58.360%0.59728%0.283SS*.Hα-helixtrans-45.9-49.5-171.3-175.264.5000113.7K128 F129 E130L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.14Å; L126-F129 CarbonylContact O-C 3.58Å; L126-F129 WeakPolarHBondContact O-CA 3.48Å; L126-F129 WeakPolarHBondContact O-CB 3.27Å; L126-F129 PolarHBondContact O-N 2.87Å; L126-E130 WeakPolarHBondContact O-CG 3.46Å; L126-E130 PolarHBondContact O-N 2.9Å
127N73.8Confident81.5Confident130 Ų13058.3 Ų58.370%0.69529%0.289SS*.Hα-helixtrans-59.2-37.4-178.9-56.40.3000112.9E125 E131E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3.02Å; E125-N127 VanDerWaalsContact O-N 3.1Å; N127-E131 PolarHBondContact O-N 3.32Å; N127-E131 VanDerWaalsContact O-N 3.13Å
128K76.4Confident80.7Confident96 Ų9662.5 Ų62.542%0.41731%0.31SS..Hα-helixtrans-78.6-29.5176.2-71.6170.9-176.31470111.6P124 E125 L126 R132P124-K128 HydrophobicContact CB-CB 3.89Å; P124-K128 HydrophobicContact CG-CB 4.1Å; E125-K128 WeakPolarHBondContact O-CA 3.12Å; E125-K128 WeakPolarHBondContact O-CB 3.42Å; E125-K128 PolarHBondContact O-N 3.03Å; E125-K128 IonicContact OE2-NZ 3.57Å; E125-K128 PolarHBondContact OE2-NZ 3.27Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 3.14Å; K128-R132 WeakPolarHBondContact O-CB 3.37Å; K128-R132 PolarHBondContact O-N 2.84Å
129F82.4Confident79.6Confident20 Ų2062.7 Ų62.79%0.08831%0.312CS..Hα-helixtrans-68.4-40.9172-170.9-115.2000111.1F21 L123 P124 E125 L126 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.31Å; L123-F129 HydrophobicContact CD2-CD2 3.94Å; L123-F129 HydrophobicContact CD2-CE2 3.72Å; L123-F129 HydrophobicContact CD2-CZ 4.18Å; P124-F129 HydrophobicContact CG-CB 4.1Å; P124-F129 HydrophobicContact CG-CD2 4.48Å; E125-F129 PolarHBondContact O-N 3.39Å; L126-F129 CarbonylContact O-C 3.58Å; L126-F129 WeakPolarHBondContact O-CA 3.48Å; L126-F129 WeakPolarHBondContact O-CB 3.27Å; L126-F129 PolarHBondContact O-N 2.87Å; F129-R132 WeakPolarHBondContact O-CB 3.48Å; F129-R132 PolarHBondContact O-N 2.83Å; F129-L133 HydrophobicContact CD1-CD1 4.04Å; F129-L133 HydrophobicContact CD1-CG 4.44Å; F129-L133 HydrophobicContact CE1-CD1 3.69Å; F129-L133 HydrophobicContact CE1-CG 4.2Å; F129-L133 HydrophobicContact CZ-CD1 4.17Å; F129-L133 HydrophobicContact CZ-CD2 4.21Å; F129-L133 HydrophobicContact CZ-CG 4.27Å; F129-L133 WeakPolarHBondContact O-CG 3.36Å; F129-L133 PolarHBondContact O-N 2.96Å
130E79.4Confident78.4Confident116 Ų11662.8 Ų62.854%0.54231%0.313SS..Hα-helixtrans-62-42.4172-71.3179.5-17800112.1L126 L133 K134L126-E130 WeakPolarHBondContact O-CG 3.46Å; L126-E130 PolarHBondContact O-N 2.9Å; E130-L133 PolarHBondContact O-N 2.85Å; E130-K134 WeakPolarHBondContact O-CB 3.44Å; E130-K134 PolarHBondContact O-N 2.85Å
131E78.8Confident77.1Confident114 Ų11472 Ų7253%0.53335%0.348SS..Hα-helixtrans-60.6-45.6172.2-176.3175.1-164.100111.9N127 L133 K134 W135N127-E131 PolarHBondContact O-N 3.32Å; N127-E131 VanDerWaalsContact O-N 3.13Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 2.79Å; E131-K134 WeakPolarHBondContact O-CB 3.48Å; E131-K134 PolarHBondContact O-N 3.19Å; E131-K134 VanDerWaalsContact O-N 3.17Å; E131-W135 VanDerWaalsContact O-CD1 3.25Å; E131-W135 PolarHBondContact O-N 3.14Å; E131-W135 VanDerWaalsContact O-N 3.09Å
132R87.1Confident76.1Confident1 Ų179.1 Ų79.10%0.00439%0.385CS..Hα-helixtrans-57.4-45.1174.5176.4-169.8-69.6-175.8-6.7111.6D104 L107 H120 T122 K128 F129 W135 L136D104-R132 IonicContact OD1-CZ 2.71Å; D104-R132 IonicContact OD1-NE 3.77Å; D104-R132 PolarHBondContact OD1-NE 2.85Å; D104-R132 IonicContact OD1-NH2 3.21Å; D104-R132 PolarHBondContact OD1-NH2 2.69Å; D104-R132 IonicContact OD2-CZ 2.67Å; D104-R132 IonicContact OD2-NE 2.99Å; D104-R132 IonicContact OD2-NH2 2.72Å; D104-R132 PolarHBondContact OD2-NH2 2.84Å; L107-R132 HydrophobicContact CD1-CB 3.92Å; L107-R132 HydrophobicContact CD1-CG 3.75Å; H120-R132 WeakPolarHBondContact ND1-CD 3.45Å; H120-R132 PolarHBondContact ND1-NH1 3.18Å; T122-R132 PolarHBondContact O-NH1 3.41Å; K128-R132 WeakPolarHBondContact O-CB 3.37Å; K128-R132 PolarHBondContact O-N 2.84Å; F129-R132 WeakPolarHBondContact O-CB 3.48Å; F129-R132 PolarHBondContact O-N 2.83Å; R132-W135 PolarHBondContact O-N 2.87Å; R132-L136 HydrophobicContact CG-CD1 3.95Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.39Å; R132-L136 PolarHBondContact O-N 3.43Å
133L82.8Confident75.8Confident46 Ų4677.5 Ų77.524%0.24138%0.375CS..Hα-helixtrans-66.5-35.5176.7-68.8-177.5000112.5F21 F129 E130 E131 L136 S137F21-L133 HydrophobicContact CE1-CD1 4.38Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.88Å; F21-L133 HydrophobicContact CZ-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CG 4.46Å; F129-L133 HydrophobicContact CD1-CD1 4.04Å; F129-L133 HydrophobicContact CD1-CG 4.44Å; F129-L133 HydrophobicContact CE1-CD1 3.69Å; F129-L133 HydrophobicContact CE1-CG 4.2Å; F129-L133 HydrophobicContact CZ-CD1 4.17Å; F129-L133 HydrophobicContact CZ-CD2 4.21Å; F129-L133 HydrophobicContact CZ-CG 4.27Å; F129-L133 WeakPolarHBondContact O-CG 3.36Å; F129-L133 PolarHBondContact O-N 2.96Å; E130-L133 PolarHBondContact O-N 2.85Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 2.79Å; L133-L136 HydrophobicContact CD2-CD1 4.47Å; L133-L136 PolarHBondContact O-N 3.05Å; L133-S137 WeakPolarHBondContact O-CB 3.16Å; L133-S137 PolarHBondContact O-N 2.89Å
134K79.4Confident76Confident146 Ų14677.6 Ų77.664%0.63537%0.374SS*.Hα-helixtrans-59.7-48.8174.4-173.1-178.9178.9-175.70110.8E130 E131 L136 S137 I138E130-K134 WeakPolarHBondContact O-CB 3.44Å; E130-K134 PolarHBondContact O-N 2.85Å; E131-K134 WeakPolarHBondContact O-CB 3.48Å; E131-K134 PolarHBondContact O-N 3.19Å; E131-K134 VanDerWaalsContact O-N 3.17Å; K134-L136 PolarHBondContact O-N 3.46Å; K134-S137 PolarHBondContact O-N 2.94Å; K134-S137 PolarHBondContact O-OG 2.85Å; K134-I138 PolarHBondContact O-N 3.31Å
135W79.7Confident76.4Confident91 Ų9177.4 Ų77.435%0.34537%0.372SS..Hα-helixtrans-61.4-41.8174.9-74.3111.2000112.7L107 E108 E131 R132 I138 S139L107-W135 HydrophobicContact CB-CB 4.01Å; L107-W135 HydrophobicContact CB-CG 4.05Å; E108-W135 HydrophobicContact CB-CH2 3.88Å; E108-W135 HydrophobicContact CB-CZ2 3.98Å; E108-W135 HydrophobicContact CB-CZ3 4.23Å; E131-W135 VanDerWaalsContact O-CD1 3.25Å; E131-W135 PolarHBondContact O-N 3.14Å; E131-W135 VanDerWaalsContact O-N 3.09Å; R132-W135 PolarHBondContact O-N 2.87Å; W135-I138 PolarHBondContact O-N 2.95Å; W135-S139 WeakPolarHBondContact O-CB 3.45Å; W135-S139 PolarHBondContact O-N 3.44Å; W135-S139 PolarHBondContact O-OG 3.1Å
136L79.9Confident76.8Confident3 Ų371.8 Ų71.82%0.01635%0.346CS..Hα-helixtrans-68.9-32179-68.6166.2000113.5I53 V118 R132 L133 K134 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.71Å; I53-L136 HydrophobicContact CD1-CD2 3.89Å; I53-L136 HydrophobicContact CD1-CG 4.32Å; V118-L136 HydrophobicContact CG1-CD1 4.09Å; V118-L136 HydrophobicContact CG1-CD2 4.29Å; V118-L136 HydrophobicContact CG2-CD2 4.37Å; R132-L136 HydrophobicContact CG-CD1 3.95Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.39Å; R132-L136 PolarHBondContact O-N 3.43Å; L133-L136 HydrophobicContact CD2-CD1 4.47Å; L133-L136 PolarHBondContact O-N 3.05Å; K134-L136 PolarHBondContact O-N 3.46Å; L136-I138 PolarHBondContact O-N 3.25Å; L136-S139 PolarHBondContact O-N 3.15Å; L136-A140 HydrophobicContact CD2-CB 4.42Å; L136-A140 CarbonylContact O-C 3.55Å; L136-A140 PolarHBondContact O-N 2.87Å; L136-M145 HydrophobicContact CB-CE 4.45Å
137S73.1Confident77.5Confident75 Ų7566.3 Ų66.352%0.52432%0.318SS..Hα-helixtrans-67.2-24.9175.1700000113.5L133 K134L133-S137 WeakPolarHBondContact O-CB 3.16Å; L133-S137 PolarHBondContact O-N 2.89Å; K134-S137 PolarHBondContact O-N 2.94Å; K134-S137 PolarHBondContact O-OG 2.85Å
138I69.3Low78.1Confident87 Ų8760.4 Ų60.445%0.44629%0.286SS..Hα-helixtrans-80.7-45.6170.5-60.4167.1000110.1K134 W135 L136K134-I138 PolarHBondContact O-N 3.31Å; W135-I138 PolarHBondContact O-N 2.95Å; L136-I138 PolarHBondContact O-N 3.25Å
139S66.6Low78.2Confident5 Ų557.3 Ų57.34%0.03528%0.275CS..Hα-helixtrans-81.3-53.7-167.9-50.90000113.6G111 V113 W135 L136G111-S139 VanDerWaalsContact O-CA 3.27Å; G111-S139 WeakPolarHBondContact O-CA 3.32Å; G111-S139 WeakPolarHBondContact O-CB 3.37Å; G111-S139 PolarHBondContact O-OG 2.83Å; G111-S139 VanDerWaalsContact O-OG 3.09Å; V113-S139 CarbonylContact C-O 3.52Å; V113-S139 PolarHBondContact N-O 2.87Å; W135-S139 WeakPolarHBondContact O-CB 3.45Å; W135-S139 PolarHBondContact O-N 3.44Å; W135-S139 PolarHBondContact O-OG 3.1Å; L136-S139 PolarHBondContact O-N 3.15Å
140A65.9Low77.2Confident2 Ų260.3 Ų60.32%0.01730%0.296CS..SBendtrans-122.163.1-16400000111.4A115 V118 L136 N142 A143A115-A140 HydrophobicContact CB-CB 4.21Å; V118-A140 HydrophobicContact CG2-CB 4.21Å; L136-A140 HydrophobicContact CD2-CB 4.42Å; L136-A140 CarbonylContact O-C 3.55Å; L136-A140 PolarHBondContact O-N 2.87Å; A140-N142 PolarHBondContact O-N 3.28Å; A140-A143 HydrophobicContact CB-CB 4.37Å; A140-A143 PolarHBondContact O-N 3.4Å
141R63.1Low76Confident194 Ų19457.9 Ų57.973%0.73229%0.291SS*.THydrogen-bonded Turntrans-60136.5-179.7-67.9-176.6176.6-173.1-0111.5A143R141-A143 PolarHBondContact O-N 3Å
142N66.3Low74.4Confident173 Ų17357.6 Ų57.693%0.92529%0.294SS*.THydrogen-bonded Turntrans63.414.3177.3-52-15.7000116.1A140A140-N142 PolarHBondContact O-N 3.28Å
143A77.2Confident72.1Confident7 Ų764.8 Ų64.86%0.05833%0.327CS..PPolyproline II helixtrans-64.8143.7172.100000111.9A115 V118 A140 R141 M145A115-A143 VanDerWaalsContact O-CB 3.28Å; A115-A143 WeakPolarHBondContact O-CB 3.49Å; V118-A143 HydrophobicContact CG2-CB 3.88Å; A140-A143 HydrophobicContact CB-CB 4.37Å; A140-A143 PolarHBondContact O-N 3.4Å; R141-A143 PolarHBondContact O-N 3Å; A143-M145 HydrophobicContact CB-CE 4.3Å
144E82.9Confident69.8Low64 Ų6471 Ų7130%0.29936%0.355SS..EExtended strand (participates in β ladder)trans-66.9133.9164-176.4171.5-149.400108.9K13 R43 N116 L117 V118K13-E144 IonicContact NZ-OE1 2.87Å; K13-E144 PolarHBondContact NZ-OE1 3.37Å; R43-E144 IonicContact CZ-OE2 3.68Å; R43-E144 IonicContact NH2-OE2 2.73Å; R43-E144 PolarHBondContact NH2-OE2 2.9Å; N116-E144 PolarHBondContact O-N 2.89Å; L117-E144 WeakPolarHBondContact CA-O 3.44Å; L117-E144 HydrophobicContact CD1-CB 4.08Å; L117-E144 HydrophobicContact CD1-CG 4.23Å; L117-E144 WeakPolarHBondContact CD1-O 3.4Å; V118-E144 PolarHBondContact N-O 3Å
145M86.6Confident67.4Low10 Ų1070.3 Ų70.35%0.04936%0.358CS..EExtended strand (participates in β ladder)trans-101.9121.4176.7-61.1-71.4167.700109.5T19 T20 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.38Å; T19-M145 HydrophobicContact CG2-CE 4.29Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å; T20-M145 PolarHBondContact O-N 3.19Å; F21-M145 WeakPolarHBondContact CA-O 3.41Å; F21-M145 HydrophobicContact CD1-CB 3.38Å; F21-M145 HydrophobicContact CD1-CG 3.96Å; F21-M145 HydrophobicContact CE1-CB 3.6Å; F21-M145 HydrophobicContact CE1-CG 3.63Å; F21-M145 HydrophobicContact CE1-SD 4.37Å; F21-M145 HydrophobicContact CG-CB 4.06Å; F21-M145 HydrophobicContact CZ-CB 4.43Å; F21-M145 HydrophobicContact CZ-CG 4.11Å; T22-M145 PolarHBondContact N-O 3.43Å; V118-M145 HydrophobicContact CB-CE 4.41Å; V118-M145 HydrophobicContact CB-SD 3.7Å; V118-M145 HydrophobicContact CG1-SD 4.04Å; V118-M145 HydrophobicContact CG2-CE 4.36Å; V118-M145 HydrophobicContact CG2-SD 4.29Å; L136-M145 HydrophobicContact CB-CE 4.45Å; A143-M145 HydrophobicContact CB-CE 4.3Å
146L87.9Confident65.2Low13 Ų1375.1 Ų75.17%0.06839%0.385CS..EExtended strand (participates in β ladder)trans-111.6128.2172.1178.562.8000108.9T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 4.16Å; T22-L146 CarbonylContact O-C 3.57Å; T22-L146 WeakPolarHBondContact O-CA 3.2Å; A24-L146 HydrophobicContact CB-CD1 4.17Å; F35-L146 HydrophobicContact CE1-CD1 4.42Å; F35-L146 HydrophobicContact CE1-CD2 4.19Å; T39-L146 HydrophobicContact CG2-CD2 4.23Å; L117-L146 HydrophobicContact CD1-CB 4.04Å; V118-L146 PolarHBondContact O-N 3.37Å; I119-L146 CarbonylContact C-O 3.6Å; I119-L146 WeakPolarHBondContact CA-O 3.33Å; I119-L146 HydrophobicContact CD1-CD2 4.2Å; I119-L146 HydrophobicContact CG1-CB 4.27Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.25Å; I119-L146 HydrophobicContact CG2-CD2 3.98Å; I119-L146 HydrophobicContact CG2-CG 4.08Å; H120-L146 PolarHBondContact N-O 3.24Å
147V88.3Confident63Low0 Ų084.3 Ų84.30%043%0.425CS..EExtended strand (participates in β ladder)trans-117.2125.9178.4177.40000108.6F21 T22 Y23 A24 H120 L123F21-V147 HydrophobicContact CD1-CG2 4.11Å; T22-V147 PolarHBondContact O-N 3.12Å; Y23-V147 CarbonylContact C-O 3.58Å; Y23-V147 WeakPolarHBondContact CA-O 3.42Å; Y23-V147 HydrophobicContact CD1-CB 3.7Å; Y23-V147 HydrophobicContact CD1-CG1 3.58Å; Y23-V147 HydrophobicContact CD1-CG2 4.35Å; Y23-V147 HydrophobicContact CE1-CB 3.83Å; Y23-V147 HydrophobicContact CE1-CG1 3.57Å; Y23-V147 HydrophobicContact CE1-CG2 4.02Å; Y23-V147 HydrophobicContact CG-CB 4.22Å; A24-V147 PolarHBondContact N-O 3.05Å; H120-V147 HydrophobicContact CB-CG2 4.37Å; L123-V147 HydrophobicContact CD1-CG1 3.65Å; L123-V147 HydrophobicContact CD2-CG1 3.76Å; L123-V147 HydrophobicContact CG-CG1 3.89Å
148I87.6Confident61Low6 Ų689.9 Ų89.93%0.03144%0.442CS..EExtended strand (participates in β ladder)trans-99.3117.7171.5-62.7179.7000108A24 P26 F35 L36 I119 H120A24-I148 WeakPolarHBondContact O-CA 3.04Å; P26-I148 HydrophobicContact CG-CG2 4.1Å; F35-I148 HydrophobicContact CD1-CD1 4.16Å; F35-I148 HydrophobicContact CE1-CD1 4.46Å; L36-I148 HydrophobicContact CD1-CD1 3.82Å; L36-I148 HydrophobicContact CD2-CD1 3.51Å; L36-I148 HydrophobicContact CG-CD1 3.42Å; L36-I148 VanDerWaalsContact CG-CD1 3.42Å; I119-I148 HydrophobicContact CG2-CD1 4.3Å; H120-I148 PolarHBondContact O-N 3.44Å
149T78.8Confident59Low31 Ų3189.5 Ų89.519%0.1946%0.46CS..PPolyproline II helixtrans-77.3138.2171.961.70000109.3Y23 A24 S25Y23-T149 HydrophobicContact CD1-CG2 4.27Å; A24-T149 PolarHBondContact O-N 2.93Å; A24-T149 PolarHBondContact O-OG1 3.33Å; S25-T149 WeakPolarHBondContact CA-OG1 3.43Å; S25-T149 WeakPolarHBondContact CB-OG1 3.32Å; S25-T149 PolarHBondContact OG-OG1 3.44Å
150P60.1Low57.4Low82 Ų82100 Ų10053%0.53251%0.505SS..PPolyproline II helixtrans-61.3163.8166.929.3-34.6000110.7
151C55.7Low55.5Low65 Ų65103.2 Ų103.244%0.43954%0.538SS..  trans-118.9110.3171.2-165.20000106.4E153C151-E153 PolarHBondContact O-N 3.23Å; C151-E153 VanDerWaalsContact O-N 3.16Å
152D43.7Very low54.2Low108 Ų108103.2 Ų103.258%0.57855%0.546SS*.  trans-86.888.5-165.6-59.4-33.8000111.2E154 N155D152-E154 PolarHBondContact O-N 3.25Å; D152-N155 PolarHBondContact O-N 3.18Å
153E39.5Very low52.3Low152 Ų152101.6 Ų101.671%0.7154%0.543SS*.THydrogen-bonded Turntrans-63.50.3-180-65.6177.4-170.200114.3C151C151-E153 PolarHBondContact O-N 3.23Å; C151-E153 VanDerWaalsContact O-N 3.16Å
154E33.7Very low50.4Low178 Ų178110.3 Ų110.383%0.83258%0.582SS**THydrogen-bonded Turntrans-88.4-18.2-179.3-61.6-163139.100114.4D152D152-E154 PolarHBondContact O-N 3.25Å
155N29.2Very low47.7Very low130 Ų130113.1 Ų113.170%0.69561%0.606SS**SBendtrans-89.4-12.5-172.6-79.4-45.6000116D152 K157D152-N155 PolarHBondContact O-N 3.18Å; N155-K157 PolarHBondContact O-N 3.06Å
156E34.4Very low44.7Very low193 Ų193122.1 Ų122.190%0.90265%0.648SS**THydrogen-bonded Turntrans-76.515.2-178.6-67.9-161.6149.200114.9
157K32.8Very low41.7Very low196 Ų196129 Ų12985%0.85268%0.683SS**THydrogen-bonded Turntrans-111-5.1-176.6-75.9-177.9179.5168.40116.3N155N155-K157 PolarHBondContact O-N 3.06Å
158E31.1Very low38.6Very low191 Ų191134.4 Ų134.489%0.89372%0.716SS**SBendtrans-125.6102169.9-65.8-162.2153.500110.7
159G27.6Very low35.7Very low79 Ų79141.8 Ų141.881%0.81475%0.75SS**  trans152.359.4176.500000116.8G161G159-G161 PolarHBondContact O-N 2.88Å
160K32.4Very low33Very low226 Ų226149.8 Ų149.898%0.98379%0.786SS**  trans-80.5105.7158.7-85.5-165.5174.1-171.30109.4
161G27.4Very low31.3Very low69 Ų69156.7 Ų156.771%0.71180%0.801SS**  trans-159.7115171.900000110.9G159G159-G161 PolarHBondContact O-N 2.88Å
162E34.9Very low29.7Very low195 Ų195162.1 Ų162.191%0.91182%0.822SS**  trans-83.8115.9175.4-64.3173.5136.200110.1
163T25.6Very low29.1Very low139 Ų139161.6 Ų161.685%0.85382%0.824SS**  trans-162140.6152.97.30000111.5
164E37.7Very low28.2Very low190 Ų190162.6 Ų162.689%0.88883%0.834SS**  trans-71.3149.6163.4-60.7177.4120.300110.4
165P27.4Very low27.7Very low122 Ų122163.7 Ų163.779%0.79284%0.836SS**  trans-117.113615620.2-2.2000112.4
166E22Very low27.4Very low199 Ų199163.4 Ų163.493%0.9384%0.838SS**  trans-76.6-179.5-178.7-62.6178.8103.100114.1
167I25.7Very low26.8Very low159 Ų159161.5 Ų161.582%0.81583%0.834SS**SBendtrans-86.9136.2-177.3-65.9171.1000111.4
168V23.6Very low26.4Very low112 Ų112156.1 Ų156.168%0.67983%0.827SS**  trans94.4121.8152.1140.20000121.7
169Q26.1Very low26Very low162 Ų162155 Ų15576%0.75783%0.826SS**  trans61.6122.9149.1-66.9171.842.500122.1
170Q22.4Very low25.9Very low199 Ų199158.8 Ų158.893%0.9383%0.827SS**  -144.8160105.5-109.7176.132.400112.3
171R23.6Very low25.6Very low226 Ų226153.8 Ų153.885%0.85382%0.821SS**  trans-104.4158.6178.6-69.5171161.1169.5-6.7109.8
172M23.2Very low25.6Very low180 Ų180158.2 Ų158.289%0.88783%0.825SS**  -173163.6103.9-94.2-159.474.800112.6
173P30.6Very low25.1Very low96 Ų96158.1 Ų158.162%0.62383%0.825SS**  trans-120.4179.2-15543.5-32.8000114.8
174L21.6Very low24.9Very low174 Ų174157 Ų15791%0.91181%0.813SS**  trans-124.5162.9150-93.2167.2000110.9
175K21.7Very low24.3Very low200 Ų200157.1 Ų157.187%0.8781%0.807SS**  trans-97.3162-155.9-74.5-179.6174.1-1790115.2
176V22.9Very low24.1Very low124 Ų124158.2 Ų158.275%0.75280%0.801SS**  trans-95.1172.6165.9-176.90000109.3
177D23.3Very low24.3Very low153 Ų153154.7 Ų154.782%0.81879%0.788SS**  trans82142.2175.7-57.4-51.3000116.3
178A23.5Very low24.2Very low84 Ų84156.9 Ų156.969%0.69479%0.791SS**  cis-145.4159.719.800000116.8
179L22.9Very low24.3Very low166 Ų166159.3 Ų159.387%0.86980%0.795SS**  trans71.8118.6151.1-103.670.3000122.1
180N25.2Very low24.2Very low159 Ų159159.3 Ų159.385%0.8580%0.8SS**  trans-81.8151.8150.7-72.3-48.3000111
181S26.5Very low24.4Very low122 Ų122156 Ų15685%0.85379%0.793SS**  trans-157.5149.8136.454.80000111.7
182M27Very low25.7Very low162 Ų162150.5 Ų150.580%0.79879%0.787SS**  trans-88.8153.6178-63.6158.549.800111.4L184M182-L184 HydrophobicContact CE-CD1 4.47Å
183Q23.8Very low26.8Very low193 Ų193147 Ų14790%0.90278%0.778SS**  -163.7169.2124.8-108.6165.2800112.6
184L22.9Very low26.6Very low114 Ų114148.5 Ų148.560%0.59779%0.786SS**  trans-108.1173.2-170-69.472.9000111.6M182M182-L184 HydrophobicContact CE-CD1 4.47Å
185Y24.3Very low27Very low194 Ų194144.5 Ų144.576%0.76177%0.772SS**  trans71.3144.8155.8-68.2-59.4000116.9
186E23.9Very low27.2Very low144 Ų144139.4 Ų139.467%0.67376%0.762SS**  cis-164.3175.8-15.4-143.7170.5-151.200110.9
187I26Very low27.5Very low126 Ų126141.6 Ų141.665%0.64676%0.764SS**  trans46.4117.7156.3-67.4147.9000119.4
188K24Very low27.8Very low204 Ų204139.4 Ų139.489%0.88775%0.752SS**  -159.8142.9116.2-114.3167.3-172.6172.60114.1
189E25.8Very low28Very low163 Ų163143.7 Ų143.776%0.76275%0.751SS**  trans-84.4158.3-179.9-59.5161.3105.800112.1
190N24Very low28.2Very low163 Ų163143.1 Ų143.187%0.87274%0.742SS**  -169.7137.5122.4-95.2-30.1000111.8
191T25.3Very low28.4Very low128 Ų128139 Ų13979%0.78573%0.73SS**  trans-141.1-176.4-176.343.90000109.5
192P51.3Low28.4Very low112 Ų112141.4 Ų141.473%0.72773%0.728SS**  cis-105.5-92.1-42.630.7-12.8000106.9
193P47Very low28.5Very low107 Ų107137.6 Ų137.670%0.69572%0.723SS**  cis-74.5-152.8-49.641.1-34.9000109.9
194T26.8Very low28.7Very low127 Ų127134.9 Ų134.978%0.77971%0.714SS**  cis-156159.11.37.10000105.3
195S28.2Very low28.9Very low90 Ų90135.2 Ų135.263%0.62972%0.72SS**  cis-163.2164.4-3.653.40000108.9
196S27.5Very low29.1Very low92 Ų92132.2 Ų132.264%0.64372%0.717SS**  trans51.1154.8147.943.20000120.7
197E28.7Very low29.3Very low171 Ų171132.7 Ų132.780%0.79972%0.723SS**  cis-169160.4-3.5-107.4153.6-133.800105.1
198D29.1Very low29.3Very low106 Ų106131.3 Ų131.357%0.56773%0.725SS**  cis-161.9174.8-21.9-144-19.7000108.7
199Y28.1Very low29.4Very low174 Ų174126.1 Ų126.168%0.68272%0.72SS**  trans27.2154.2153.1-57.7-34000123.6
200K26.9Very low29.5Very low154 Ų154122.2 Ų122.267%0.6772%0.715SS**  cis-161.5155-14.1-110.9165178.6158.10106.1
201A28.5Very low29.6Very low74 Ų74121.6 Ų121.661%0.61272%0.718SS**  50.6148.185.700000114.7
202E28Very low29.5Very low171 Ų171120.4 Ų120.480%0.79972%0.721SS**  cis-162.6151.114.4-143.3138.7-13300110.5
203A27.8Very low28.2Very low83 Ų83120 Ų12069%0.68673%0.727SS**  trans41.8-179.4134.900000121.4
204D29.4Very low27.2Very low135 Ų135121.4 Ų121.472%0.72273%0.734SS**  cis-157.5-161.88.1-151.4-15.8000112.2
205V27.1Very low27.2Very low121 Ų121122.5 Ų122.573%0.73373%0.733SS**  trans94.183.7168.4-1690000113.3
206L28.3Very low27.3Very low131 Ų131123.8 Ų123.869%0.68674%0.74SS**  73.2140.981.2-63.3162.1000112.6
207L27.3Very low27.2Very low155 Ų155125.9 Ų125.981%0.81274%0.744SS**  cis-136.3-176.415.1-14463.4000107.8
208S26.2Very low27.1Very low97 Ų97124.5 Ų124.568%0.67874%0.742SS**  cis-161.315910.2610000114.3
209A27.1Very low27Very low95 Ų95125.7 Ų125.779%0.78575%0.748SS**  trans13.5145.4139.800000122.4
210A26.6Very low26.8Very low80 Ų80127.4 Ų127.466%0.66176%0.759SS**  cis-170.3162.7-8.400000114.3
211T25.4Very low26.8Very low150 Ų150128.7 Ų128.792%0.9277%0.768SS**  trans69.1152.7153.545.20000120.7
212A24.1Very low26.5Very low104 Ų104134.5 Ų134.586%0.8678%0.782SS**  trans-124.9164.6-171.700000112.3
213A24Very low26.3Very low102 Ų102134.7 Ų134.784%0.84378%0.783SS**  trans-150.4157.7164.800000110.7
214T25.2Very low26.1Very low138 Ų138138 Ų13885%0.84779%0.787SS**  trans-105.8158.8-169.6-46.90000112.5
215I27.8Very low25.7Very low150 Ų150138.3 Ų138.377%0.76979%0.789SS**  trans-62.4144173.5-56.1160.2000111.3
216P30.5Very low25.5Very low117 Ų117140.1 Ų140.176%0.7679%0.794SS**  -131.7165.3127.635.6-25.4000113.6
217N25.4Very low25.3Very low136 Ų136138 Ų13873%0.72779%0.79SS**  trans-71.3159.2179.8-59.2-20.6000112.6
218D25.8Very low25.2Very low141 Ų141137 Ų13775%0.75479%0.79SS**  -167.3134.798-108.5-11.8000116.9
219N27Very low25.3Very low132 Ų132141.1 Ų141.171%0.70680%0.799SS**  trans8.8126.2156.3-56.5-47000121
220K25.4Very low25.3Very low210 Ų210143 Ų14391%0.91380%0.796SS**  -150.6129.1115.7-120.4174.3-174.8178.50112.7
221E25.2Very low25.3Very low181 Ų181143.8 Ų143.885%0.84680%0.801SS**  trans-79.2141.8175-57.3162127.100110.5
222Q23.6Very low25.5Very low196 Ų196143.6 Ų143.692%0.91680%0.801SS**  -164.8134120.7-110.1174.3-7.100111.1
223E22.6Very low25.7Very low175 Ų175147.3 Ų147.382%0.81880%0.8SS**  trans-82.5163.4172-57.9175.9112.200111.1
224I23.7Very low26Very low152 Ų152152 Ų15278%0.77980%0.802SS**  158.595.2125.2-79158.2000110
225N22.1Very low26.1Very low141 Ų141153.6 Ų153.675%0.75480%0.804SS**  39.7144.2119.6-89.4-32.7000123.6
226L23.3Very low26.1Very low160 Ų160154.9 Ų154.984%0.83881%0.811SS**  trans98.6122.5141-78.7161.2000122.4
227S22.8Very low25.8Very low86 Ų86154.2 Ų154.260%0.60182%0.815SS**  trans60.8122.7141-157.50000121.8E229S227-E229 PolarHBondContact OG-N 3.46Å
228V25.4Very low25.8Very low134 Ų134152.3 Ų152.381%0.81281%0.813SS**  trans-137.880.3139.6-1740000109.1D230V228-D230 VanDerWaalsContact C-N 3.33Å; V228-D230 HydrophobicContact CG1-CB 4.45Å; V228-D230 PolarHBondContact O-N 2.7Å
229E27.8Very low25.7Very low184 Ų184155 Ų15586%0.8682%0.818SS**  trans-8379.3151.1-73.2-172.8127.800108.6S227S227-E229 PolarHBondContact OG-N 3.46Å
230D28Very low25.5Very low135 Ų135158 Ų15872%0.72283%0.828SS**  trans-162.588.9169.2-139.7-16000113.4V228V228-D230 VanDerWaalsContact C-N 3.33Å; V228-D230 HydrophobicContact CG1-CB 4.45Å; V228-D230 PolarHBondContact O-N 2.7Å
231A26.7Very low25.6Very low95 Ų95156.4 Ų156.479%0.78583%0.828SS**SBendtrans-155.3-6.7177.400000116.1
232T28.5Very low25.5Very low147 Ų147151.6 Ų151.690%0.90283%0.828SS**SBendtrans-108.1-0-165.731.50000115.4
233E29.6Very low25.5Very low181 Ų181147.1 Ų147.185%0.84682%0.818SS**SBendtrans-108.831.7-170.8-147.9175.4-124.400115
234K29.2Very low25.6Very low202 Ų202144.3 Ų144.388%0.87881%0.813SS**SBendtrans-125.719.1-175.1-101.1174.3-177.2164.10117.5
235L27.8Very low25.7Very low170 Ų170144 Ų14489%0.8981%0.813SS**SBendtrans-13412.7179.4-81174.5000116.3
236L27.2Very low25.9Very low178 Ų178142.4 Ų142.493%0.93281%0.813SS**SBendtrans-130.630.9-179.6-73.9175.4000114.6
237A25.4Very low26Very low102 Ų102139.9 Ų139.984%0.84382%0.815SS**  trans-132.171.2179.400000112.8
238S24.3Very low26.1Very low97 Ų97140.6 Ų140.668%0.67883%0.826SS**  trans-157.3147.4161.257.70000110.8
239F23.5Very low26.1Very low196 Ų196141 Ų14186%0.8683%0.828SS**  trans70.881.3-177.8-53.8-77.3000117.5
240E22.6Very low25.9Very low196 Ų196139.2 Ų139.292%0.91683%0.825SS**  -148.6173.2119.7-121.3170.8-153.200110.7
241L27.7Very low25.8Very low176 Ų176141.4 Ų141.492%0.92183%0.831SS**  trans-96156.9-156.8-79.372.9000115.1
242G22.8Very low25.7Very low81 Ų81142.6 Ų142.684%0.83583%0.833SS**  trans-154.8140160.300000110.8
243S23.4Very low25.5Very low102 Ų102141 Ų14171%0.71383%0.829SS**  trans-133.3167-170.457.90000112.7
244T25.3Very low26.1Very low116 Ų116138.2 Ų138.271%0.71283%0.826SS**  trans65.9152166.5620000116.6
245D26.9Very low26Very low144 Ų144133 Ų13377%0.7782%0.82SS**  cis-170.4167-18.5-99.8-15.3000108.1
246S25.9Very low25.9Very low108 Ų108129.8 Ų129.876%0.75582%0.819SS**  cis-166166.3-20.456.10000108.9
247A24.1Very low25.9Very low108 Ų108125.5 Ų125.589%0.89381%0.809SS**  trans-158.9149.716700000111.2
248A25Very low26Very low100 Ų100129.7 Ų129.783%0.82681%0.808SS**  trans-128.8168.4-17100000113.3
249V25.7Very low26Very low142 Ų142134.2 Ų134.286%0.86182%0.816SS**  trans-174.9148.3133144.50000109.5
250D24.2Very low26.1Very low147 Ų147132.3 Ų132.379%0.78682%0.815SS**  trans-71.1159.2-179.6-64.6-85000115.1
251E25.3Very low26.2Very low182 Ų182127.1 Ų127.185%0.8581%0.806SS**  175.5158.9100.9-92-152.6142.200115.2
252S25.2Very low26.9Very low119 Ų119124.2 Ų124.283%0.83280%0.797SS**  trans78.3118.5158.974.80000121.1
253S24.9Very low27.1Very low115 Ų115125.4 Ų125.480%0.80479%0.788SS**  trans-101.7176.3152.7-142.70000107.8
254P42.7Very low27.2Very low121 Ų121131 Ų13179%0.78680%0.795SS**  -157.7-159.757.543.7-20.2000117
255A25.7Very low27.2Very low92 Ų92130.3 Ų130.376%0.7680%0.795SS**  trans88.4106.8167.900000116.8
256A26.5Very low28.4Very low104 Ų104128.5 Ų128.586%0.8679%0.791SS**  84.7145.662.600000112.8
257A27Very low28.3Very low88 Ų88132.9 Ų132.973%0.72780%0.797SS**  cis-166.6171.7-2.600000107.6
258K26.6Very low28.4Very low189 Ų189133 Ų13382%0.82279%0.786SS**  cis-153.5144.30.4-111.7154-178.91760105.9
259F26Very low28.5Very low192 Ų192134 Ų13484%0.84278%0.782SS**  61.2110.575.2-104.3-80.6000117.3
260N24.2Very low28.5Very low156 Ų156135.8 Ų135.883%0.83478%0.781SS**  -177.4159.1114.6-92.8-8.8000114.5
261A24.1Very low28.6Very low88 Ų88136 Ų13673%0.72778%0.782SS**  trans-133.6-140.9172.400000106.6
262P44.4Very low29.4Very low114 Ų114132.3 Ų132.374%0.7477%0.774SS**  cis-142.7-161.8-15.827.4-0.2000115.5
263V25.7Very low29.5Very low107 Ų107133.5 Ų133.565%0.64878%0.776SS**  trans88.9135.1148-131.70000123.7
264Y24.9Very low29.7Very low220 Ų220138 Ų13886%0.86378%0.781SS**  trans120141.9139.8-78-62.5000121
265S25.3Very low29Very low101 Ų101137.5 Ų137.571%0.70678%0.781SS**  trans-160.1-178.1179.765.60000106.9
266P53.3Low29.1Very low105 Ų105140.8 Ų140.868%0.68279%0.785SS**  cis-121.7-160.2-20.941.3-25.7000111.2
267F24.6Very low29.6Very low200 Ų200142 Ų14288%0.87778%0.777SS**  trans135.3157.2163.2-77.9-60.2000110.5
268V25.6Very low29.8Very low112 Ų112141.5 Ų141.568%0.67977%0.773SS**  cis-176.5140.3-45.2127.60000108.2
269T26.8Very low30.3Very low121 Ų121140.9 Ų140.974%0.74277%0.773SS**  trans53.3138.5171.546.80000118
270E24.7Very low30.7Very low178 Ų178139.7 Ų139.783%0.83277%0.768SS**  -172.3176.959.8-141.5158.9-130.400112.5
271N27.6Very low31.1Very low151 Ų151137.7 Ų137.781%0.80775%0.753SS**  trans-122173.9170.1-98-39.5000107.5
272P40.9Very low31.6Very low106 Ų106141 Ų14169%0.68875%0.754SS**  cis-137.1-174.6643-26.1000114.7
273T27.6Very low31Very low143 Ų143144.6 Ų144.688%0.87776%0.758SS**  -174.4166.4119.920.40000113.1
274K29.4Very low31.4Very low209 Ų209144.8 Ų144.891%0.90976%0.759SS**  trans-110.7153.4176.7-53.6172.1-179.4177.40110.1
275S28.2Very low31.7Very low111 Ų111142.2 Ų142.278%0.77675%0.753SS**  165.8119.6124.6-174.50000112.1
276L28.4Very low31.8Very low161 Ų161141.5 Ų141.584%0.84375%0.747SS**  trans169.278.2137.5-95.1163.6000109
277D35.4Very low30.5Very low131 Ų131144.5 Ų144.570%0.70176%0.757SS**  trans-145.353.7178.8-164.712.9000109.4
278A32.5Very low30.5Very low77 Ų77144.1 Ų144.164%0.63676%0.755SS**SBendtrans-119.3-37.6-16800000113.7
279E35.6Very low30.5Very low176 Ų176144 Ų14482%0.82275%0.754SS**SBendtrans-85.8-21.8-174.7-63.8-177.6134.400113.5
280F34.6Very low30.5Very low166 Ų166145.6 Ų145.673%0.72875%0.753SS**THydrogen-bonded Turntrans-81.6-15.6-177.4-151.8-103.1000114
281Q34.3Very low30.4Very low114 Ų114143.2 Ų143.253%0.53375%0.746SS.*THydrogen-bonded Turntrans-83.5-11.6-177.7-81.1-75-30.800114.5
282E33.8Very low30.3Very low159 Ų159141.7 Ų141.774%0.74374%0.742SS**THydrogen-bonded Turntrans-91-41-177-166.4154.2-143.800112.1V284 K285E282-V284 PolarHBondContact O-N 3.44Å; E282-K285 PolarHBondContact O-N 3.22Å
283F32.1Very low29.5Very low189 Ų189146.9 Ų146.983%0.82975%0.754SS**G310 helixtrans-64.5-23.3-179.5-158.6-103.1000114K285F283-K285 VanDerWaalsContact C-N 3.34Å; F283-K285 PolarHBondContact O-N 3.07Å
284V34.7Very low29.3Very low110 Ų110148.8 Ų148.867%0.66775%0.75SS**G310 helixtrans-84.7-3.2-175.1-176.30000113E282E282-V284 PolarHBondContact O-N 3.44Å
285K31.3Very low29.1Very low167 Ų167145.3 Ų145.373%0.72674%0.742SS**G310 helixtrans-96.6-4.6-174.1-79.9174-179.2159.20116.4E282 F283E282-K285 PolarHBondContact O-N 3.22Å; F283-K285 VanDerWaalsContact C-N 3.34Å; F283-K285 PolarHBondContact O-N 3.07Å
286S26.9Very low28.8Very low85 Ų85147.7 Ų147.759%0.59474%0.743SS**SBendtrans-141.4116.5172.754.30000110.3
287L24.9Very low28.5Very low169 Ų169147 Ų14789%0.88574%0.74SS**  cis-138151.717.4-76.3109.3000113.9
288K25Very low28.1Very low192 Ų192148.6 Ų148.684%0.83575%0.747SS**  trans-90.3167.9152.7-54.4175.6175174.20107.3
289V26.7Very low27.9Very low110 Ų110150.5 Ų150.567%0.66775%0.753SS**  cis-170.2154.42973.50000111.8
290Q25.3Very low27.7Very low153 Ų153147.5 Ų147.572%0.71575%0.749SS**  trans66.7132.1148.7-87.516311.600125.1
291N24.1Very low27.5Very low129 Ų129145.2 Ų145.269%0.6975%0.751SS**  104123.7119.3-79.8-10.6000124.1
292V24.8Very low27.1Very low119 Ų119146 Ų14672%0.72177%0.765SS**  trans66.3113.3136.6-179.50000119.3
293F23.4Very low26.6Very low215 Ų215143.4 Ų143.494%0.94377%0.765SS**  trans-86.4133.5154.8-91.1-88.5000111.3
294K25.1Very low26.3Very low182 Ų182140.8 Ų140.879%0.79176%0.764SS**  trans-156121.5157.8-123.5179.4-176.3-178.80112.4
295N24Very low25.7Very low137 Ų137140.8 Ų140.873%0.73377%0.769SS**  trans51.7126.6155.4-66.78.8000122.6
296M22Very low25.6Very low161 Ų161140.4 Ų140.479%0.79377%0.773SS**  97135.8128-87.6176.8167.400122.7
297N22Very low25.4Very low146 Ų146145.5 Ų145.578%0.78179%0.788SS**  trans85.7124.6151.7-59.4-14.8000120.8
298L27.7Very low25.4Very low165 Ų165145.8 Ų145.886%0.86479%0.785SS**  trans-70.3161.1163-72.6154.7000110.8
299P27.8Very low25.7Very low116 Ų116142.2 Ų142.275%0.75378%0.781SS**  -136.4-152.4111.747-35.9000111
300P30.8Very low25.6Very low114 Ų114143.6 Ų143.674%0.7479%0.789SS**  trans-112.1172.2-132.911.915.9000114.6
301P30.4Very low25.7Very low117 Ų117141.6 Ų141.676%0.7679%0.792SS**  trans-81.6150.1-179.333.5-35.9000113.7
302P27.3Very low25.7Very low130 Ų130141.4 Ų141.484%0.84480%0.801SS**  trans-75.2168.3162.734-34.6000111.7
303S23.4Very low25.7Very low105 Ų105140.7 Ų140.773%0.73481%0.808SS**  trans-135.6177-16856.40000113
304V24.7Very low25.7Very low134 Ų134136.6 Ų136.681%0.81281%0.806SS**  trans65.1150.1175.5-119.30000113.3
305S22.9Very low25.7Very low110 Ų110132.6 Ų132.677%0.76981%0.807SS**  cis-139.5167.811.5-58.80000113.9
306I27.7Very low25.7Very low159 Ų159131.4 Ų131.482%0.81581%0.809SS**  trans-98.6140.7169.2-63164.6000108.5
307E23.3Very low25.7Very low192 Ų192130.3 Ų130.390%0.89781%0.806SS**  trans-151.8134.7157.4-118.7165.3-144.700110.4
308E25.6Very low25.8Very low176 Ų176133 Ų13382%0.82281%0.807SS**  trans-90.4161.2162.6-59.6-173.6138.700108.6
309P31.4Very low25.6Very low117 Ų117136.8 Ų136.876%0.7681%0.81SS**  -151.8144.7100.336.3-18.8000117.4
310V24Very low25.4Very low138 Ų138139 Ų13984%0.83681%0.81SS**  52.5140127.3-171.80000121
311S27.3Very low25Very low111 Ų111142.5 Ų142.578%0.77682%0.817SS**  trans-81.8156179.755.30000115.7
312S24.5Very low24.7Very low125 Ų125143.4 Ų143.487%0.87481%0.813SS**  trans-154.8163.814261.40000110.1
313A25.5Very low24.5Very low105 Ų105144.7 Ų144.787%0.86881%0.813SS**  trans-131.3139.2-17700000111.6
314S23.4Very low24.6Very low128 Ų128146 Ų14690%0.89582%0.817SS**  trans-158.6162161.658.60000109.2
315A24.2Very low24.7Very low99 Ų99144 Ų14482%0.81882%0.815SS**  trans-144.8130.3-176.500000111.5
316S23Very low24.8Very low112 Ų112143.7 Ų143.778%0.78381%0.813SS**  trans-167131.5155.448.80000112.5
317D23.9Very low24.6Very low137 Ų137144.6 Ų144.673%0.73382%0.818SS**  trans59.1110.9140.1-61-10.3000124.5
318Y23.8Very low24.7Very low202 Ų202141.7 Ų141.779%0.79281%0.809SS**  44.6117.1129.5-64.7-82.8000121.3
319R22.1Very low24.5Very low245 Ų245138.5 Ų138.593%0.92581%0.806SS**  -16816495.2-101.1168.4-168.7-167.13.1113.2
320H24.5Very low24.3Very low162 Ų162141.2 Ų141.275%0.7581%0.812SS**  trans-72.2136.4178.7-76.3-90.2000113
321Q23.2Very low24.2Very low189 Ų189145.7 Ų145.788%0.88381%0.814SS**  -143.7145128.4-110.3165.1-1100108.3
322I23.4Very low24.1Very low135 Ų135147.2 Ų147.269%0.69282%0.819SS**  trans-119.1104.3-176.4-61.6171.5000107.1T324I322-T324 HydrophobicContact CG2-CG2 4.16Å
323D22.5Very low24.1Very low157 Ų157147.8 Ų147.884%0.8482%0.817SS**  trans-99.7123.9167.7-93.1-47.7000109.9A325D323-A325 PolarHBondContact O-N 3.49Å
324T26.8Very low24.1Very low134 Ų134151.8 Ų151.882%0.82281%0.814SS**  trans-95.578.1-174.953.50000111.3I322I322-T324 HydrophobicContact CG2-CG2 4.16Å
325A24.9Very low24.4Very low92 Ų92152.4 Ų152.476%0.7681%0.808SS**  trans-150.7159173.800000112.9D323D323-A325 PolarHBondContact O-N 3.49Å
326S25.9Very low24.6Very low103 Ų103152 Ų15272%0.7280%0.799SS**  trans67.9108.5174.2-161.10000117.8
327L23.4Very low25.2Very low177 Ų177151.7 Ų151.793%0.92779%0.794SS**  trans-134.933.4154.3-96.9174.2000110.6
328D25.1Very low25.9Very low132 Ų132146.1 Ų146.171%0.70677%0.767SS**  trans-108.278.6-172.2-71.6-62.4000112.9
329S22.8Very low26.4Very low108 Ų108141 Ų14176%0.75576%0.761SS**  trans-170.7114.3146.962.20000113.5
330I25.3Very low27.3Very low175 Ų175130.8 Ų130.890%0.89773%0.725SS**  trans-132.4117.5152.1-59.8-178.7000106.7
331R23.4Very low27.7Very low232 Ų232125.9 Ų125.988%0.87571%0.712SS**  trans-90141178.4-72-177.2175.3176.6-1.1110.7
332T24.3Very low28.4Very low143 Ų143120.6 Ų120.688%0.87769%0.692SS**  trans-72.7145.8171.742.30000111.4
333V24.6Very low29.1Very low137 Ų137118.9 Ų118.983%0.8369%0.688SS**  trans-133.4146.8175.6179.90000108.4
334K26.1Very low29.9Very low189 Ų189113.4 Ų113.482%0.82266%0.661SS**  trans-66.7165.4-177.5-73.5-175173.2-176.60113.3S336K334-S336 PolarHBondContact O-N 3.38Å
335D30.2Very low30.9Very low141 Ų141109.3 Ų109.375%0.75463%0.632SS**  trans-47122.3-178.4-57.2-76.9000113.5
336S28.6Very low31.6Very low91 Ų91111.5 Ų111.564%0.63664%0.641SS**  trans-152.3157173.7-92.70000107.5K334 A338K334-S336 PolarHBondContact O-N 3.38Å; S336-A338 PolarHBondContact O-N 2.9Å
337P34.5Very low32.6Very low104 Ų104108 Ų10868%0.67562%0.618SS**  trans-54.9117.8-179.621.9-33.4000110.4S339P337-S339 PolarHBondContact O-N 3.3Å; P337-S339 VanDerWaalsContact O-N 3.1Å
338A38.7Very low34.4Very low20 Ų20106 Ų10617%0.16561%0.614CS.*  trans-62.6113.2-164.900000111.9S336 L340 P766S336-A338 PolarHBondContact O-N 2.9Å; A338-L340 PolarHBondContact O-N 3.44Å; A338-P766 HydrophobicContact CB-CG 3.94Å
339S34.9Very low36.7Very low96 Ų96100.8 Ų100.867%0.67159%0.591SS**  trans-78.4109.5176.7-171.30000110.7P337 A341P337-S339 PolarHBondContact O-N 3.3Å; P337-S339 VanDerWaalsContact O-N 3.1Å; S339-A341 VanDerWaalsContact C-N 3.26Å; S339-A341 PolarHBondContact O-N 3.39Å
340L40.8Very low39.7Very low30 Ų3099.1 Ų99.116%0.15757%0.573CS.*  trans-8610.8175.5-85.2158.7000113.6A338 V342 V605 V609 L765A338-L340 PolarHBondContact O-N 3.44Å; L340-V342 PolarHBondContact O-N 3.12Å; L340-V605 HydrophobicContact CD2-CG1 4.01Å; L340-V609 WeakPolarHBondContact CD1-O 3.39Å; L340-L765 HydrophobicContact CD2-CD2 3.69Å; L340-L765 HydrophobicContact CG-CD2 4.29Å
341A32.1Very low42.6Very low58 Ų5891.7 Ų91.748%0.47954%0.535SS..  trans-82.368.9-166.200000114.6S339S339-A341 VanDerWaalsContact C-N 3.26Å; S339-A341 PolarHBondContact O-N 3.39Å
342V38Very low45.6Very low78 Ų7882.1 Ų82.147%0.47350%0.499SS..  trans-87.1104155.4178.60000107.3L340 P344 T579L340-V342 PolarHBondContact O-N 3.12Å; V342-P344 WeakPolarHBondContact O-CD 3.2Å; V342-T579 HydrophobicContact CB-CG2 3.94Å; V342-T579 HydrophobicContact CG1-CG2 4.21Å; V342-T579 HydrophobicContact CG2-CG2 4.18Å
343V37.7Very low48.5Very low99 Ų9978 Ų7860%0.647%0.472SS*.  trans-65.7112-174.1-1800000111.1
344P39.7Very low51.3Low42 Ų4275 Ų7527%0.27345%0.452SS..  trans-99.8132.3177.721.7-2.1000110.7V342V342-P344 WeakPolarHBondContact O-CD 3.2Å
345F47.3Very low54.2Low49 Ų4971.6 Ų71.622%0.21543%0.434CS..  trans66.7109.6174.6-40-71.5000116.8A347 W360 L587 Y606F345-A347 PolarHBondContact O-N 3.01Å; F345-W360 HydrophobicContact CB-CZ2 4.29Å; F345-W360 AromaticContact CD1-CH2 3.77Å; F345-W360 HydrophobicContact CD1-CH2 3.77Å; F345-W360 HydrophobicContact CD1-CZ2 4.27Å; F345-W360 HydrophobicContact CD1-CZ3 4.36Å; F345-W360 HydrophobicContact CD2-CH2 4.16Å; F345-W360 HydrophobicContact CD2-CZ2 4.06Å; F345-W360 AromaticContact CE1-CH2 3.87Å; F345-W360 HydrophobicContact CE1-CH2 3.87Å; F345-W360 AromaticContact CE1-CZ3 4Å; F345-W360 HydrophobicContact CE1-CZ3 4Å; F345-W360 HydrophobicContact CE2-CE3 4.39Å; F345-W360 HydrophobicContact CE2-CH2 4.26Å; F345-W360 HydrophobicContact CE2-CZ2 4.47Å; F345-W360 HydrophobicContact CE2-CZ3 4.22Å; F345-W360 AromaticContact CG-CH2 3.91Å; F345-W360 HydrophobicContact CG-CH2 3.91Å; F345-W360 AromaticContact CG-CZ2 3.94Å; F345-W360 HydrophobicContact CG-CZ2 3.94Å; F345-W360 HydrophobicContact CZ-CE3 4.38Å; F345-W360 HydrophobicContact CZ-CH2 4.11Å; F345-W360 AromaticContact CZ-CZ3 3.91Å; F345-W360 HydrophobicContact CZ-CZ3 3.91Å; F345-L587 HydrophobicContact CE1-CD1 4.11Å; F345-L587 HydrophobicContact CE1-CD2 4.43Å; F345-L587 HydrophobicContact CZ-CD1 3.56Å; F345-L587 HydrophobicContact CZ-CD2 4.05Å; F345-L587 HydrophobicContact CZ-CG 4.36Å; F345-Y606 HydrophobicContact CE2-CE2 4.03Å; F345-Y606 WeakPolarHBondContact CE2-OH 3.47Å
346S39.8Very low56.8Low137 Ų13766.9 Ų66.996%0.95842%0.419SS*.SBendtrans-80.33.8161.952.90000113.8
347A46.9Very low59.8Low29 Ų2962.5 Ų62.524%0.2439%0.388CS..SBendtrans-109.3139.7-171.200000112.1F345 G349F345-A347 PolarHBondContact O-N 3.01Å; A347-G349 PolarHBondContact O-N 2.92Å
348V61.6Low62.6Low136 Ų13657.6 Ų57.682%0.82436%0.356SS*.  trans-62.2132.5175.6-1760000110.1
349G73.8Confident65.1Low22 Ų2256.7 Ų56.723%0.22735%0.349CS..  trans-150.4162.6177.500000110.9A347 S361A347-G349 PolarHBondContact O-N 2.92Å; G349-S361 CarbonylContact C-O 3.57Å
350I84.7Confident67.8Low74 Ų7453 Ų5338%0.37932%0.32SS..EExtended strand (participates in β ladder)trans-100.1124.8-174-52.7173.2000109.4Y352 W360 S361 A364I350-Y352 HydrophobicContact CB-CE2 4.18Å; I350-Y352 HydrophobicContact CG2-CE1 3.86Å; I350-Y352 HydrophobicContact CG2-CE2 4.02Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.33Å; I350-Y352 WeakPolarHBondContact O-CE2 3.4Å; I350-W360 WeakPolarHBondContact O-CA 3.39Å; I350-S361 PolarHBondContact N-O 3.39Å; I350-S361 PolarHBondContact O-N 3.41Å; I350-S361 VanDerWaalsContact O-N 3.14Å; I350-A364 HydrophobicContact CD1-CB 4.33Å
351T86.6Confident70.2Confident18 Ų1851.5 Ų51.511%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-102.3119176.1-54.10000112.3L358 G359 L730 K731T351-L358 HydrophobicContact CG2-CD1 3.56Å; T351-L358 HydrophobicContact CG2-CG 4.37Å; T351-G359 CarbonylContact C-O 3.52Å; T351-G359 VanDerWaalsContact CA-O 3.3Å; T351-G359 WeakPolarHBondContact CA-O 3.43Å; T351-L730 WeakPolarHBondContact CG2-O 3.39Å; T351-L730 PolarHBondContact OG1-O 3.4Å; T351-K731 HydrophobicContact CG2-CG 3.95Å; T351-K731 WeakPolarHBondContact O-CE 3.09Å; T351-K731 PolarHBondContact O-NZ 3.45Å
352Y87.2Confident72.6Confident31 Ų3154 Ų5412%0.12231%0.309CS..EExtended strand (participates in β ladder)trans-93.5145.2174.1-52.1-80.4000110.4I350 L358 G359 H363 A364 V365 F401I350-Y352 HydrophobicContact CB-CE2 4.18Å; I350-Y352 HydrophobicContact CG2-CE1 3.86Å; I350-Y352 HydrophobicContact CG2-CE2 4.02Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.33Å; I350-Y352 WeakPolarHBondContact O-CE2 3.4Å; Y352-L358 WeakPolarHBondContact O-CA 3.39Å; Y352-G359 PolarHBondContact N-O 3.42Å; Y352-G359 PolarHBondContact O-N 3.22Å; Y352-H363 PolarHBondContact OH-O 2.83Å; Y352-H363 VanDerWaalsContact OH-O 3.06Å; Y352-A364 WeakPolarHBondContact OH-CA 3.1Å; Y352-V365 WeakPolarHBondContact CE1-O 3.35Å; Y352-V365 HydrophobicContact CE2-CB 4.27Å; Y352-V365 PolarHBondContact OH-N 3.22Å; Y352-F401 HydrophobicContact CD1-CE1 4.25Å; Y352-F401 HydrophobicContact CG-CD1 4.42Å; Y352-F401 HydrophobicContact CG-CE1 4.04Å
353N84.4Confident74.8Confident56 Ų5653 Ų5330%0.29930%0.299SS..  trans-145.341.4176.369.8-33.3000112.4V357 L358 Y727 K731N353-V357 CarbonylContact C-O 3.55Å; N353-V357 WeakPolarHBondContact CA-O 3.34Å; N353-L358 HydrophobicContact CB-CD1 4.49Å; N353-Y727 HydrophobicContact CB-CD2 3.97Å; N353-Y727 HydrophobicContact CB-CG 4.29Å; N353-K731 VanDerWaalsContact CG-CE 3.4Å; N353-K731 WeakPolarHBondContact OD1-CE 3.34Å; N353-K731 PolarHBondContact OD1-NZ 3.14Å
354N84.6Confident77.2Confident76 Ų7652.3 Ų52.341%0.40630%0.304SS..  trans-104.4152.5-174.3-54.833.1000110.3G356 V357 F401N354-G356 PolarHBondContact O-N 2.82Å; N354-V357 PolarHBondContact N-O 3.22Å; N354-V357 PolarHBondContact O-N 3.33Å; N354-F401 HydrophobicContact CB-CZ 4.12Å
355Y86.1Confident79.6Confident117 Ų11750.8 Ų50.846%0.45929%0.294SS..THydrogen-bonded Turntrans59.622.6178.3-42.6-67.2000115.4V357 P367 A397 R400 F401Y355-V357 VanDerWaalsContact C-N 3.35Å; Y355-P367 HydrophobicContact CE2-CB 4.09Å; Y355-P367 HydrophobicContact CE2-CG 4.02Å; Y355-A397 WeakPolarHBondContact O-CB 3.47Å; Y355-R400 VanDerWaalsContact CD1-NH1 3.29Å; Y355-F401 HydrophobicContact CD2-CE2 4.19Å; Y355-F401 HydrophobicContact CD2-CZ 4.21Å
356G85.8Confident81.7Confident41 Ų4154.1 Ų54.142%0.42332%0.318SS..THydrogen-bonded Turntrans88.6-8.4-179.900000115.1N354 Y727N354-G356 PolarHBondContact O-N 2.82Å; G356-Y727 VanDerWaalsContact O-CE2 3.31Å; G356-Y727 WeakPolarHBondContact O-CE2 3.07Å; G356-Y727 PolarHBondContact O-OH 2.91Å
357V90.8Very high84.1Confident0 Ų049.2 Ų49.20%028%0.283CS..  trans-98.4133.7-179.3162.80000110.8N353 N354 Y355 A397 V398 F401 L596 F597 D598N353-V357 CarbonylContact C-O 3.55Å; N353-V357 WeakPolarHBondContact CA-O 3.34Å; N354-V357 PolarHBondContact N-O 3.22Å; N354-V357 PolarHBondContact O-N 3.33Å; Y355-V357 VanDerWaalsContact C-N 3.35Å; V357-A397 HydrophobicContact CB-CB 4.48Å; V357-A397 HydrophobicContact CG2-CB 3.48Å; V357-A397 VanDerWaalsContact CG2-CB 3.48Å; V357-V398 HydrophobicContact CG1-CG1 4.25Å; V357-V398 HydrophobicContact CG2-CG1 3.6Å; V357-F401 HydrophobicContact CB-CE2 4.19Å; V357-F401 HydrophobicContact CG1-CD2 4.15Å; V357-F401 HydrophobicContact CG1-CE2 4.11Å; V357-L596 HydrophobicContact CG1-CB 4.39Å; V357-L596 HydrophobicContact CG1-CD2 4.02Å; V357-F597 WeakPolarHBondContact CA-O 3.28Å; V357-D598 HydrophobicContact CG2-CB 4.45Å
358L92.6Very high86.3Confident1 Ų148.1 Ų48.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-83.7128.2160.8-174.679.8000108.5T351 Y352 N353 L596 F597 A603 Y606 Y727 L730T351-L358 HydrophobicContact CG2-CD1 3.56Å; T351-L358 HydrophobicContact CG2-CG 4.37Å; Y352-L358 WeakPolarHBondContact O-CA 3.39Å; N353-L358 HydrophobicContact CB-CD1 4.49Å; L358-L596 WeakPolarHBondContact O-CA 3.47Å; L358-F597 HydrophobicContact CB-CB 4.32Å; L358-F597 HydrophobicContact CD2-CD2 4.09Å; L358-F597 PolarHBondContact N-O 3.43Å; L358-F597 PolarHBondContact O-N 2.88Å; L358-A603 HydrophobicContact CB-CB 4.43Å; L358-A603 HydrophobicContact CD2-CB 3.91Å; L358-Y606 HydrophobicContact CD2-CD1 4.41Å; L358-Y606 HydrophobicContact CD2-CE1 4.5Å; L358-Y727 HydrophobicContact CB-CD1 3.95Å; L358-Y727 HydrophobicContact CB-CD2 4.47Å; L358-Y727 HydrophobicContact CB-CE1 3.72Å; L358-Y727 HydrophobicContact CB-CE2 4.27Å; L358-Y727 HydrophobicContact CB-CG 4.31Å; L358-Y727 HydrophobicContact CD1-CD1 3.97Å; L358-Y727 HydrophobicContact CD1-CG 3.97Å; L358-Y727 HydrophobicContact CG-CD1 4.38Å; L358-L730 HydrophobicContact CD1-CB 4.16Å; L358-L730 HydrophobicContact CD1-CD1 4.27Å; L358-L730 HydrophobicContact CD2-CB 4.28Å; L358-L730 HydrophobicContact CD2-CD1 3.52Å; L358-L730 HydrophobicContact CD2-CG 4.5Å
359G92.6Very high87.5Confident0 Ų046.8 Ų46.80%026%0.255CS..EExtended strand (participates in β ladder)trans-123.7145.7171.600000111.5T351 Y352 V595T351-G359 CarbonylContact C-O 3.52Å; T351-G359 VanDerWaalsContact CA-O 3.3Å; T351-G359 WeakPolarHBondContact CA-O 3.43Å; Y352-G359 PolarHBondContact N-O 3.42Å; Y352-G359 PolarHBondContact O-N 3.22Å; G359-V595 CarbonylContact C-O 3.44Å; G359-V595 VanDerWaalsContact CA-O 3.28Å; G359-V595 WeakPolarHBondContact CA-O 3.5Å
360W91.5Very high88.1Confident18 Ų1846.1 Ų46.17%0.06825%0.247CC..EExtended strand (participates in β ladder)trans-135.1132.3170.8179.890.5000110.4F345 I350 R362 V593 L594 V595F345-W360 HydrophobicContact CB-CZ2 4.29Å; F345-W360 AromaticContact CD1-CH2 3.77Å; F345-W360 HydrophobicContact CD1-CH2 3.77Å; F345-W360 HydrophobicContact CD1-CZ2 4.27Å; F345-W360 HydrophobicContact CD1-CZ3 4.36Å; F345-W360 HydrophobicContact CD2-CH2 4.16Å; F345-W360 HydrophobicContact CD2-CZ2 4.06Å; F345-W360 AromaticContact CE1-CH2 3.87Å; F345-W360 HydrophobicContact CE1-CH2 3.87Å; F345-W360 AromaticContact CE1-CZ3 4Å; F345-W360 HydrophobicContact CE1-CZ3 4Å; F345-W360 HydrophobicContact CE2-CE3 4.39Å; F345-W360 HydrophobicContact CE2-CH2 4.26Å; F345-W360 HydrophobicContact CE2-CZ2 4.47Å; F345-W360 HydrophobicContact CE2-CZ3 4.22Å; F345-W360 AromaticContact CG-CH2 3.91Å; F345-W360 HydrophobicContact CG-CH2 3.91Å; F345-W360 AromaticContact CG-CZ2 3.94Å; F345-W360 HydrophobicContact CG-CZ2 3.94Å; F345-W360 HydrophobicContact CZ-CE3 4.38Å; F345-W360 HydrophobicContact CZ-CH2 4.11Å; F345-W360 AromaticContact CZ-CZ3 3.91Å; F345-W360 HydrophobicContact CZ-CZ3 3.91Å; I350-W360 WeakPolarHBondContact O-CA 3.39Å; W360-R362 HydrophobicContact CH2-CG 4.15Å; W360-V593 HydrophobicContact CE3-CG1 4.39Å; W360-V593 HydrophobicContact CZ3-CG1 3.84Å; W360-L594 CarbonylContact O-C 3.56Å; W360-L594 WeakPolarHBondContact O-CA 3.14Å; W360-V595 HydrophobicContact CE3-CG2 4.2Å; W360-V595 PolarHBondContact N-O 3.26Å; W360-V595 PolarHBondContact O-N 2.89Å
361S90.3Very high88Confident0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-151.3157.7169.5-169.60000111.5G349 I350 H363 V593G349-S361 CarbonylContact C-O 3.57Å; I350-S361 PolarHBondContact N-O 3.39Å; I350-S361 PolarHBondContact O-N 3.41Å; I350-S361 VanDerWaalsContact O-N 3.14Å; S361-H363 PolarHBondContact O-N 2.96Å; S361-H363 PolarHBondContact OG-N 3.31Å; S361-V593 WeakPolarHBondContact CA-O 3.43Å; S361-V593 WeakPolarHBondContact CB-O 3.38Å; S361-V593 PolarHBondContact OG-O 3.35Å
362R83.5Confident87.8Confident110 Ų11047.6 Ų47.642%0.41526%0.259SS..SBendtrans-65.6-20.5166.3-57.9-177.3-168.2-93.41.8112.7W360 P591W360-R362 HydrophobicContact CH2-CG 4.15Å; R362-P591 VanDerWaalsContact CD-O 3.3Å; R362-P591 WeakPolarHBondContact CD-O 3.4Å; R362-P591 PolarHBondContact NE-O 3.16Å
363H84.5Confident87.7Confident56 Ų5650.9 Ų50.926%0.25928%0.276SS..SBendtrans-109.1152.7-172-70.7111.2000112.9Y352 S361 V365 K410 D592Y352-H363 PolarHBondContact OH-O 2.83Å; Y352-H363 VanDerWaalsContact OH-O 3.06Å; S361-H363 PolarHBondContact O-N 2.96Å; S361-H363 PolarHBondContact OG-N 3.31Å; H363-V365 PolarHBondContact O-N 2.84Å; H363-K410 PolarHBondContact CD2-NZ 2.68Å; H363-K410 PolarHBondContact CE1-NZ 3.37Å; H363-K410 VanDerWaalsContact CE1-NZ 3.33Å; H363-K410 PolarHBondContact ND1-NZ 3.25Å; H363-K410 PolarHBondContact NE2-NZ 3.29Å; H363-K410 VanDerWaalsContact NE2-NZ 3.15Å; H363-D592 IonicContact CE1-OD1 3.14Å; H363-D592 PolarHBondContact CE1-OD1 3.22Å
364A88.2Confident87.6Confident85 Ų8548.2 Ų48.270%0.70226%0.262SS*.  trans-66.7118.516800000110.6I350 Y352I350-A364 HydrophobicContact CD1-CB 4.33Å; Y352-A364 WeakPolarHBondContact OH-CA 3.1Å
365V89.7Confident87Confident10 Ų1048 Ų486%0.06127%0.265CS..  trans-113.6117.4173.7-178.60000109.2Y352 H363 F401 P404 H405 L594Y352-V365 WeakPolarHBondContact CE1-O 3.35Å; Y352-V365 HydrophobicContact CE2-CB 4.27Å; Y352-V365 PolarHBondContact OH-N 3.22Å; H363-V365 PolarHBondContact O-N 2.84Å; V365-F401 HydrophobicContact CG1-CB 4.22Å; V365-F401 HydrophobicContact CG1-CD1 4.32Å; V365-F401 WeakPolarHBondContact CG1-O 3.49Å; V365-P404 HydrophobicContact CG1-CG 4.48Å; V365-H405 HydrophobicContact CG1-CB 4.4Å; V365-H405 HydrophobicContact CG2-CB 4.29Å; V365-L594 HydrophobicContact CG1-CD2 4.39Å; V365-L594 HydrophobicContact CG2-CD1 4.29Å; V365-L594 HydrophobicContact CG2-CD2 4.36Å
366V90.1Very high86.9Confident119 Ų11946 Ų4672%0.72126%0.262SS*.PPolyproline II helixtrans-90.7118.8172.6-178.90000108.1P404V366-P404 VanDerWaalsContact O-CG 3.26Å; V366-P404 WeakPolarHBondContact O-CG 3.38Å
367P91.8Very high87.1Confident35 Ų3544.1 Ų44.123%0.22724%0.242CC..PPolyproline II helixtrans-77.8133.5-176.628.9-33.1000112.5Y355 R400 F401Y355-P367 HydrophobicContact CE2-CB 4.09Å; Y355-P367 HydrophobicContact CE2-CG 4.02Å; P367-R400 CarbonylContact C-O 3.55Å; P367-R400 WeakPolarHBondContact CA-O 3.15Å; P367-R400 HydrophobicContact CB-CB 4.11Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.81Å; P367-F401 HydrophobicContact CB-CG 4.33Å; P367-F401 HydrophobicContact CB-CZ 4.27Å; P367-F401 HydrophobicContact CG-CD1 4.41Å; P367-F401 HydrophobicContact CG-CE1 3.99Å
368C91.5Very high87.1Confident5 Ų545.6 Ų45.63%0.03425%0.253CS..PPolyproline II helixtrans-83.9140.2172.162.60000111.6E373 R400C368-E373 HydrophobicContact CB-CB 3.67Å; C368-R400 PolarHBondContact N-O 2.95Å; C368-R400 WeakPolarHBondContact O-CA 3.42Å; C368-R400 VanDerWaalsContact O-CB 3.23Å; C368-R400 WeakPolarHBondContact O-CB 3.32Å; C368-R400 VanDerWaalsContact O-CG 3.22Å; C368-R400 WeakPolarHBondContact O-CG 3.49Å; C368-R400 PolarHBondContact SG-O 2.95Å; C368-R400 VanDerWaalsContact SG-O 3.38Å
369Y87.8Confident86.9Confident109 Ų10950.7 Ų50.743%0.42728%0.284SS..SBendtrans-79.3-34.4175.8-172.2-92.8000112.8E373 R394 A395 R400Y369-E373 VanDerWaalsContact CB-OE2 3.31Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.21Å; Y369-E373 PolarHBondContact N-OE2 2.83Å; Y369-R394 HydrophobicContact CD1-CB 4.44Å; Y369-R394 HydrophobicContact CE1-CB 3.95Å; Y369-A395 WeakPolarHBondContact O-CB 3.39Å; Y369-A395 PolarHBondContact O-N 2.77Å; Y369-R400 PolarHBondContact O-NH2 3.2Å
370G85.8Confident86.9Confident7 Ų753.6 Ų53.67%0.07230%0.298CS..SBendtrans-148.9179.9179.900000114.1T372 E373G370-T372 PolarHBondContact O-N 3.25Å; G370-E373 PolarHBondContact O-N 3.17Å; G370-E373 VanDerWaalsContact O-N 3.13Å
371L83.4Confident86.9Confident9 Ų952.7 Ų52.75%0.04730%0.295CS..THydrogen-bonded Turntrans-62.2-20.1-178.7-79.6170.3000114.1E373 R382 M385 Q386 A391 W403L371-E373 VanDerWaalsContact C-N 3.33Å; L371-R382 HydrophobicContact CB-CG 4.34Å; L371-R382 VanDerWaalsContact O-CD 3.31Å; L371-R382 WeakPolarHBondContact O-CD 3.38Å; L371-R382 VanDerWaalsContact O-CZ 3.27Å; L371-R382 PolarHBondContact O-NE 3.2Å; L371-R382 PolarHBondContact O-NH1 2.94Å; L371-M385 HydrophobicContact CD1-CB 4.05Å; L371-M385 HydrophobicContact CD1-CE 4.46Å; L371-M385 HydrophobicContact CD2-CE 3.65Å; L371-M385 HydrophobicContact CD2-SD 3.68Å; L371-Q386 HydrophobicContact CD1-CG 4.35Å; L371-A391 HydrophobicContact CD1-CB 4.07Å; L371-A391 HydrophobicContact CG-CB 4.12Å; L371-W403 HydrophobicContact CD2-CE3 4.07Å; L371-W403 HydrophobicContact CD2-CH2 3.51Å; L371-W403 HydrophobicContact CD2-CZ2 4.18Å; L371-W403 HydrophobicContact CD2-CZ3 3.44Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.44Å; L371-W403 HydrophobicContact CG-CH2 3.87Å; L371-W403 HydrophobicContact CG-CZ3 3.77Å
372T82.2Confident86.9Confident114 Ų11455 Ų5570%0.69930%0.304SS*.THydrogen-bonded Turntrans-63.4-36.3173.6360000112.7G370 R382G370-T372 PolarHBondContact O-N 3.25Å; T372-R382 VanDerWaalsContact C-NH1 3.28Å; T372-R382 PolarHBondContact O-NH1 3.17Å
373E84.3Confident87.2Confident100 Ų10057 Ų5747%0.46731%0.311SS..THydrogen-bonded Turntrans-98.7-6.2-170.7-67.8149.8-117.200113.9C368 Y369 G370 L371 P375C368-E373 HydrophobicContact CB-CB 3.67Å; Y369-E373 VanDerWaalsContact CB-OE2 3.31Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.21Å; Y369-E373 PolarHBondContact N-OE2 2.83Å; G370-E373 PolarHBondContact O-N 3.17Å; G370-E373 VanDerWaalsContact O-N 3.13Å; L371-E373 VanDerWaalsContact C-N 3.33Å; E373-P375 WeakPolarHBondContact O-CD 3.31Å
374A83.7Confident87.5Confident0 Ų054.3 Ų54.30%030%0.299CS..  trans-74.5114172.800000109I377 R382 W403A374-I377 HydrophobicContact CB-CB 4.49Å; A374-I377 HydrophobicContact CB-CD1 3.73Å; A374-I377 HydrophobicContact CB-CG1 4.05Å; A374-R382 PolarHBondContact O-NH2 3.2Å; A374-W403 HydrophobicContact CB-CB 4.13Å; A374-W403 HydrophobicContact CB-CE3 4.25Å
375P71.9Confident87.7Confident73 Ų7350.3 Ų50.347%0.47427%0.266SS..THydrogen-bonded Turntrans-62.6-58.6-162.119.3-30.2000113.2E373 R382 P404E373-P375 WeakPolarHBondContact O-CD 3.31Å; P375-R382 PolarHBondContact O-NH2 3.04Å; P375-P404 HydrophobicContact CG-CB 4.4Å
376D84.1Confident87.6Confident74 Ų7454.6 Ų54.640%0.39629%0.285SS..THydrogen-bonded Turntrans-96.69.6-166.4-27-80.9000114.4S407 Q432D376-S407 VanDerWaalsContact OD2-C 3.31Å; D376-S407 WeakPolarHBondContact OD2-CB 3.42Å; D376-S407 PolarHBondContact OD2-OG 3.47Å; D376-Q432 PolarHBondContact O-NE2 2.86Å
377I88.3Confident87.5Confident2 Ų254.7 Ų54.71%0.0128%0.278CS..SBendtrans-79.5123.9172.5-56.1-174.6000108.7A374 I381 R382 W403A374-I377 HydrophobicContact CB-CB 4.49Å; A374-I377 HydrophobicContact CB-CD1 3.73Å; A374-I377 HydrophobicContact CB-CG1 4.05Å; I377-I381 HydrophobicContact CG2-CB 4.06Å; I377-I381 HydrophobicContact CG2-CG2 3.56Å; I377-R382 HydrophobicContact CG2-CG 3.96Å; I377-R382 PolarHBondContact O-NE 3.28Å; I377-R382 PolarHBondContact O-NH2 3.25Å; I377-W403 HydrophobicContact CD1-CB 4.12Å; I377-W403 HydrophobicContact CD1-CD2 4.2Å; I377-W403 HydrophobicContact CD1-CG 3.98Å
378S90.4Very high87.4Confident31 Ų3155.5 Ų55.522%0.21728%0.279CS..  trans-68.7154.5-175.976.90000113.1I380 I381 R382S378-I380 PolarHBondContact O-N 3.23Å; S378-I381 PolarHBondContact O-N 3.4Å; S378-I381 WeakPolarHBondContact OG-CG1 3.46Å; S378-I381 PolarHBondContact OG-N 3.34Å; S378-R382 VanDerWaalsContact O-CG 3.31Å; S378-R382 WeakPolarHBondContact O-CG 3.47Å; S378-R382 PolarHBondContact O-N 3.21Å
379T89.9Confident87.1Confident107 Ų10756.8 Ų56.866%0.65629%0.293SS*.Hα-helixtrans-59.8-32.6176.850.60000112.7R383T379-R383 PolarHBondContact O-N 3.27Å
380I91.3Very high87Confident61 Ų6152.5 Ų52.531%0.31328%0.278SS..Hα-helixtrans-63.9-50.5174.5-60.9175.9000110.5S378 R382 R383 A384 L473 L474S378-I380 PolarHBondContact O-N 3.23Å; I380-R382 PolarHBondContact O-N 3.25Å; I380-R383 WeakPolarHBondContact O-CB 3.33Å; I380-R383 PolarHBondContact O-N 3.03Å; I380-A384 PolarHBondContact O-N 3.37Å; I380-L473 VanDerWaalsContact CG2-C 3.46Å; I380-L473 HydrophobicContact CG2-CB 3.87Å; I380-L473 WeakPolarHBondContact CG2-O 3.3Å; I380-L474 HydrophobicContact CB-CD2 4.12Å; I380-L474 HydrophobicContact CD1-CD2 4.31Å; I380-L474 HydrophobicContact CG2-CD2 3.85Å; I380-L474 HydrophobicContact CG2-CG 4.41Å
381I92.6Very high86.8Confident0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-65.8-39178.8-70.6-75.2000111.1I377 S378 R383 A384 M385 P428 Q432 L470 L474I377-I381 HydrophobicContact CG2-CB 4.06Å; I377-I381 HydrophobicContact CG2-CG2 3.56Å; S378-I381 PolarHBondContact O-N 3.4Å; S378-I381 WeakPolarHBondContact OG-CG1 3.46Å; S378-I381 PolarHBondContact OG-N 3.34Å; I381-R383 VanDerWaalsContact C-N 3.31Å; I381-R383 PolarHBondContact O-N 3.44Å; I381-A384 PolarHBondContact O-N 2.97Å; I381-M385 HydrophobicContact CG2-CG 4.38Å; I381-M385 HydrophobicContact CG2-SD 4.01Å; I381-M385 WeakPolarHBondContact O-CB 3.46Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.44Å; I381-M385 PolarHBondContact O-N 2.83Å; I381-P428 HydrophobicContact CG2-CB 3.68Å; I381-Q432 HydrophobicContact CD1-CB 4.47Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.21Å; I381-L470 HydrophobicContact CD1-CB 3.98Å; I381-L470 HydrophobicContact CD1-CD2 4Å; I381-L470 WeakPolarHBondContact CD1-O 3.25Å; I381-L470 HydrophobicContact CG2-CD2 4.22Å; I381-L474 HydrophobicContact CD1-CD1 4.21Å; I381-L474 HydrophobicContact CD1-CD2 4.49Å; I381-L474 HydrophobicContact CD1-CG 4.33Å; I381-L474 HydrophobicContact CG1-CD2 4.19Å
382R90.8Very high86.4Confident49 Ų4960.3 Ų60.319%0.18531%0.309CS..Hα-helixtrans-57.1-43172.3-66.4173.6-152.8-149.29.5111.4L371 T372 A374 P375 I377 S378 I380 M385 Q386L371-R382 HydrophobicContact CB-CG 4.34Å; L371-R382 VanDerWaalsContact O-CD 3.31Å; L371-R382 WeakPolarHBondContact O-CD 3.38Å; L371-R382 VanDerWaalsContact O-CZ 3.27Å; L371-R382 PolarHBondContact O-NE 3.2Å; L371-R382 PolarHBondContact O-NH1 2.94Å; T372-R382 VanDerWaalsContact C-NH1 3.28Å; T372-R382 PolarHBondContact O-NH1 3.17Å; A374-R382 PolarHBondContact O-NH2 3.2Å; P375-R382 PolarHBondContact O-NH2 3.04Å; I377-R382 HydrophobicContact CG2-CG 3.96Å; I377-R382 PolarHBondContact O-NE 3.28Å; I377-R382 PolarHBondContact O-NH2 3.25Å; S378-R382 VanDerWaalsContact O-CG 3.31Å; S378-R382 WeakPolarHBondContact O-CG 3.47Å; S378-R382 PolarHBondContact O-N 3.21Å; I380-R382 PolarHBondContact O-N 3.25Å; R382-M385 PolarHBondContact O-N 3.37Å; R382-Q386 VanDerWaalsContact O-CG 3.28Å; R382-Q386 WeakPolarHBondContact O-CG 3.35Å; R382-Q386 PolarHBondContact O-N 2.95Å
383R89Confident86.1Confident151 Ų15160.1 Ų60.157%0.5731%0.312SS*.Hα-helixtrans-64.6-45.1176.1-174.7-175.8-67.8153.8-2.7112.1T379 I380 I381 M385 Q386 Q387T379-R383 PolarHBondContact O-N 3.27Å; I380-R383 WeakPolarHBondContact O-CB 3.33Å; I380-R383 PolarHBondContact O-N 3.03Å; I381-R383 VanDerWaalsContact C-N 3.31Å; I381-R383 PolarHBondContact O-N 3.44Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 3.04Å; R383-Q386 PolarHBondContact O-N 2.65Å; R383-Q387 WeakPolarHBondContact O-CG 3.31Å; R383-Q387 PolarHBondContact O-N 3.01Å
384A91.1Very high86.2Confident0 Ų062.5 Ų62.50%032%0.317CS..Hα-helixtrans-58.2-45.7175.700000111.7I380 I381 Q386 Q387 M388 L470 L473I380-A384 PolarHBondContact O-N 3.37Å; I381-A384 PolarHBondContact O-N 2.97Å; A384-Q386 PolarHBondContact O-N 3.24Å; A384-Q387 PolarHBondContact O-N 3.3Å; A384-M388 HydrophobicContact CB-CE 4.26Å; A384-M388 WeakPolarHBondContact O-CE 3.38Å; A384-M388 PolarHBondContact O-N 3Å; A384-M388 VanDerWaalsContact O-N 3.14Å; A384-L470 HydrophobicContact CB-CD2 4.02Å; A384-L473 HydrophobicContact CB-CD1 3.53Å
385M91.8Very high86.5Confident0 Ų062.6 Ų62.60%032%0.318CS..Hα-helixtrans-60.5-44.1175.8-71.7177.578.100112.4L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470L371-M385 HydrophobicContact CD1-CB 4.05Å; L371-M385 HydrophobicContact CD1-CE 4.46Å; L371-M385 HydrophobicContact CD2-CE 3.65Å; L371-M385 HydrophobicContact CD2-SD 3.68Å; I381-M385 HydrophobicContact CG2-CG 4.38Å; I381-M385 HydrophobicContact CG2-SD 4.01Å; I381-M385 WeakPolarHBondContact O-CB 3.46Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.44Å; I381-M385 PolarHBondContact O-N 2.83Å; R382-M385 PolarHBondContact O-N 3.37Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 3.04Å; M385-M388 CarbonylContact O-C 3.59Å; M385-M388 PolarHBondContact O-N 3.1Å; M385-G389 PolarHBondContact O-N 2.79Å; M385-V390 HydrophobicContact CB-CB 4.11Å; M385-V390 HydrophobicContact CE-CB 4.32Å; M385-V390 HydrophobicContact CE-CG1 3.61Å; M385-V390 WeakPolarHBondContact O-CB 3.26Å; M385-V390 PolarHBondContact O-N 3.39Å; M385-W403 HydrophobicContact CE-CH2 3.98Å; M385-W403 HydrophobicContact CE-CZ2 3.51Å; M385-W424 HydrophobicContact CE-CE3 4.22Å; M385-W424 HydrophobicContact CG-CZ3 4.14Å; M385-P428 HydrophobicContact CE-CB 4.18Å; M385-P428 HydrophobicContact CE-CG 3.41Å; M385-P428 VanDerWaalsContact CE-CG 3.41Å; M385-P428 HydrophobicContact CG-CG 4.34Å; M385-P428 HydrophobicContact SD-CB 3.54Å; M385-P428 VanDerWaalsContact SD-CB 3.54Å; M385-P428 HydrophobicContact SD-CG 3.45Å; M385-P428 WeakPolarHBondContact SD-CG 3.22Å; M385-L470 HydrophobicContact CG-CD2 4.01Å
386Q88.6Confident87.5Confident101 Ų10165.4 Ų65.447%0.47232%0.319SS..Hα-helixtrans-62.4-41.6177.6-74.8168.1-24.600112.6L371 R382 R383 A384 G389L371-Q386 HydrophobicContact CD1-CG 4.35Å; R382-Q386 VanDerWaalsContact O-CG 3.28Å; R382-Q386 WeakPolarHBondContact O-CG 3.35Å; R382-Q386 PolarHBondContact O-N 2.95Å; R383-Q386 PolarHBondContact O-N 2.65Å; A384-Q386 PolarHBondContact O-N 3.24Å; Q386-G389 WeakPolarHBondContact O-CA 3.47Å; Q386-G389 PolarHBondContact O-N 3.2Å
387Q87.8Confident87.8Confident120 Ų12062.9 Ų62.956%0.56131%0.308SS*.Hα-helixtrans-60-46.1174.9-73.1175.4-13.700111.3R383 A384 G389R383-Q387 WeakPolarHBondContact O-CG 3.31Å; R383-Q387 PolarHBondContact O-N 3.01Å; A384-Q387 PolarHBondContact O-N 3.3Å; Q387-G389 PolarHBondContact O-N 3.21Å; Q387-G389 VanDerWaalsContact O-N 3.09Å
388M88.4Confident88Confident53 Ų5362.8 Ų62.826%0.26131%0.308SS..THydrogen-bonded Turntrans-70.33.9172.9-70.4179.9-79.200114.5A384 M385 V390 W424 T469 L470A384-M388 HydrophobicContact CB-CE 4.26Å; A384-M388 WeakPolarHBondContact O-CE 3.38Å; A384-M388 PolarHBondContact O-N 3Å; A384-M388 VanDerWaalsContact O-N 3.14Å; M385-M388 CarbonylContact O-C 3.59Å; M385-M388 PolarHBondContact O-N 3.1Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.22Å; M388-V390 PolarHBondContact O-N 2.67Å; M388-W424 HydrophobicContact CE-CH2 3.69Å; M388-W424 HydrophobicContact CE-CZ3 4.39Å; M388-W424 HydrophobicContact SD-CH2 3.77Å; M388-W424 HydrophobicContact SD-CZ2 4.16Å; M388-T469 HydrophobicContact CE-CG2 3.82Å; M388-T469 HydrophobicContact CG-CG2 3.88Å; M388-T469 HydrophobicContact SD-CG2 3.71Å; M388-L470 HydrophobicContact CE-CD2 3.72Å; M388-L470 HydrophobicContact CE-CG 3.9Å
389G86.1Confident88.2Confident32 Ų3261.4 Ų61.433%0.3330%0.298SS..THydrogen-bonded Turntrans76.36.7178.500000115.3M385 Q386 Q387 A391M385-G389 PolarHBondContact O-N 2.79Å; Q386-G389 WeakPolarHBondContact O-CA 3.47Å; Q386-G389 PolarHBondContact O-N 3.2Å; Q387-G389 PolarHBondContact O-N 3.21Å; Q387-G389 VanDerWaalsContact O-N 3.09Å; G389-A391 PolarHBondContact O-N 3.17Å
390V86.1Confident88.4Confident18 Ų1857 Ų5711%0.10927%0.269CS..THydrogen-bonded Turntrans-73.7122.2180-1740000109.5M385 M388 R392 W424M385-V390 HydrophobicContact CB-CB 4.11Å; M385-V390 HydrophobicContact CE-CB 4.32Å; M385-V390 HydrophobicContact CE-CG1 3.61Å; M385-V390 WeakPolarHBondContact O-CB 3.26Å; M385-V390 PolarHBondContact O-N 3.39Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.22Å; M388-V390 PolarHBondContact O-N 2.67Å; V390-R392 VanDerWaalsContact C-N 3.3Å; V390-R392 PolarHBondContact O-N 3.17Å; V390-W424 HydrophobicContact CG1-CD2 4.24Å; V390-W424 HydrophobicContact CG1-CE3 4.11Å; V390-W424 HydrophobicContact CG1-CG 4.5Å; V390-W424 HydrophobicContact CG2-CD2 3.86Å; V390-W424 HydrophobicContact CG2-CE3 3.97Å; V390-W424 HydrophobicContact CG2-CH2 4Å; V390-W424 HydrophobicContact CG2-CZ2 3.86Å; V390-W424 HydrophobicContact CG2-CZ3 4.04Å
391A80.8Confident88.6Confident19 Ų1954.1 Ų54.116%0.15725%0.254CS..THydrogen-bonded Turntrans53.236.4175.100000115.9L371 G389 S393 R394 W403L371-A391 HydrophobicContact CD1-CB 4.07Å; L371-A391 HydrophobicContact CG-CB 4.12Å; G389-A391 PolarHBondContact O-N 3.17Å; A391-S393 PolarHBondContact O-N 2.83Å; A391-R394 WeakPolarHBondContact CA-O 3.47Å; A391-R394 WeakPolarHBondContact CB-O 3.21Å; A391-W403 HydrophobicContact CB-CH2 3.71Å; A391-W403 HydrophobicContact CB-CZ3 4.42Å
392R75.4Confident88.7Confident162 Ų16254.1 Ų54.161%0.61125%0.254SS*.SBendtrans-47-34.2177.3-75.2-175.3175.5172.24.8114.8V390V390-R392 VanDerWaalsContact C-N 3.3Å; V390-R392 PolarHBondContact O-N 3.17Å
393S76.4Confident88.9Confident110 Ų11051.8 Ų51.877%0.76925%0.246SC*.SBendtrans-122.5-27.4179.4580000114.9A391A391-S393 PolarHBondContact O-N 2.83Å
394R86.2Confident89.1Confident149 Ų14945.3 Ų45.356%0.56222%0.224SC*.  trans-163.4153.1177.963.5-174-178.4-173.20.1112Y369 A391Y369-R394 HydrophobicContact CD1-CB 4.44Å; Y369-R394 HydrophobicContact CE1-CB 3.95Å; A391-R394 WeakPolarHBondContact CA-O 3.47Å; A391-R394 WeakPolarHBondContact CB-O 3.21Å
395A90.3Very high89.1Confident2 Ų245.6 Ų45.62%0.01723%0.225CC..  trans-69.2142.616900000110.9Y369 Q399 R400 W403Y369-A395 WeakPolarHBondContact O-CB 3.39Å; Y369-A395 PolarHBondContact O-N 2.77Å; A395-Q399 HydrophobicContact CB-CB 4.41Å; A395-R400 HydrophobicContact CB-CG 3.95Å; A395-R400 PolarHBondContact O-NE 3.43Å; A395-R400 PolarHBondContact O-NH2 3.37Å; A395-W403 HydrophobicContact CB-CE3 4.09Å; A395-W403 HydrophobicContact CB-CH2 4.01Å; A395-W403 HydrophobicContact CB-CZ3 3.5Å
396R91.6Very high89.2Confident132 Ų13245.6 Ų45.650%0.49823%0.225SC..  trans-74.3155.7175.4-58.5-179.7172.1-167.7-6.6110.9V398 Q399 R400 Q419 I420R396-V398 PolarHBondContact O-N 3.15Å; R396-Q399 HydrophobicContact CB-CG 4.28Å; R396-Q399 VanDerWaalsContact N-OE1 3.12Å; R396-Q399 WeakPolarHBondContact O-CA 3.37Å; R396-Q399 VanDerWaalsContact O-CB 3.3Å; R396-Q399 WeakPolarHBondContact O-CB 3.43Å; R396-Q399 PolarHBondContact O-N 3.45Å; R396-R400 WeakPolarHBondContact O-CG 3.22Å; R396-R400 PolarHBondContact O-N 3.25Å; R396-Q419 PolarHBondContact NH1-O 2.85Å; R396-I420 WeakPolarHBondContact CD-O 3.45Å; R396-I420 PolarHBondContact NH1-O 3.11Å
397A90.8Very high89.3Confident21 Ų2140.9 Ų40.917%0.17420%0.203CC..Hα-helixtrans-48.4-53.1-165.100000114.7Y355 V357 Q399 R400Y355-A397 WeakPolarHBondContact O-CB 3.47Å; V357-A397 HydrophobicContact CB-CB 4.48Å; V357-A397 HydrophobicContact CG2-CB 3.48Å; V357-A397 VanDerWaalsContact CG2-CB 3.48Å; A397-Q399 PolarHBondContact O-N 3.07Å; A397-R400 WeakPolarHBondContact O-CB 3.3Å; A397-R400 PolarHBondContact O-N 2.88Å
398V93.6Very high89.4Confident1 Ų139.3 Ų39.31%0.00620%0.198CC..Hα-helixtrans-65.6-34.8177-67.60000113.7V357 R396 R400 F401 A402 V414 L596 D598V357-V398 HydrophobicContact CG1-CG1 4.25Å; V357-V398 HydrophobicContact CG2-CG1 3.6Å; R396-V398 PolarHBondContact O-N 3.15Å; V398-R400 PolarHBondContact O-N 3.43Å; V398-F401 PolarHBondContact O-N 3.16Å; V398-A402 WeakPolarHBondContact O-CB 3.36Å; V398-A402 PolarHBondContact O-N 2.92Å; V398-V414 HydrophobicContact CB-CG1 4.06Å; V398-V414 HydrophobicContact CG1-CG1 4.04Å; V398-V414 HydrophobicContact CG2-CG1 4.2Å; V398-L596 HydrophobicContact CB-CD1 4.15Å; V398-L596 HydrophobicContact CG1-CB 4.29Å; V398-L596 WeakPolarHBondContact O-CD1 3.38Å; V398-D598 HydrophobicContact CG1-CB 3.8Å
399Q94.2Very high89.4Confident2 Ų237 Ų371%0.00919%0.187CC..Hα-helixtrans-64.3-31.6-179.6-63.5170.6-19.700111.8A395 R396 A397 F401 A402 W403 G421 W424 S425A395-Q399 HydrophobicContact CB-CB 4.41Å; R396-Q399 HydrophobicContact CB-CG 4.28Å; R396-Q399 VanDerWaalsContact N-OE1 3.12Å; R396-Q399 WeakPolarHBondContact O-CA 3.37Å; R396-Q399 VanDerWaalsContact O-CB 3.3Å; R396-Q399 WeakPolarHBondContact O-CB 3.43Å; R396-Q399 PolarHBondContact O-N 3.45Å; A397-Q399 PolarHBondContact O-N 3.07Å; Q399-F401 VanDerWaalsContact C-N 3.26Å; Q399-F401 PolarHBondContact O-N 2.86Å; Q399-A402 PolarHBondContact O-N 3.29Å; Q399-W403 HydrophobicContact CB-CD2 4.09Å; Q399-W403 HydrophobicContact CB-CH2 4.34Å; Q399-W403 HydrophobicContact CB-CZ2 3.87Å; Q399-W403 HydrophobicContact CG-CZ2 4.1Å; Q399-W403 WeakPolarHBondContact O-CB 3.38Å; Q399-W403 PolarHBondContact O-N 3.48Å; Q399-G421 PolarHBondContact NE2-O 3.35Å; Q399-W424 VanDerWaalsContact NE2-CB 3.34Å; Q399-S425 WeakPolarHBondContact CG-OG 3.46Å
400R93.6Very high89.7Confident13 Ų1336.7 Ų36.75%0.04918%0.177CC..Hα-helixtrans-55.4-39.7177.8-59.5-176.8170.9-128.8-27.5112.8Y355 P367 C368 Y369 A395 R396 A397 V398 P404Y355-R400 VanDerWaalsContact CD1-NH1 3.29Å; P367-R400 CarbonylContact C-O 3.55Å; P367-R400 WeakPolarHBondContact CA-O 3.15Å; P367-R400 HydrophobicContact CB-CB 4.11Å; C368-R400 PolarHBondContact N-O 2.95Å; C368-R400 WeakPolarHBondContact O-CA 3.42Å; C368-R400 VanDerWaalsContact O-CB 3.23Å; C368-R400 WeakPolarHBondContact O-CB 3.32Å; C368-R400 VanDerWaalsContact O-CG 3.22Å; C368-R400 WeakPolarHBondContact O-CG 3.49Å; C368-R400 PolarHBondContact SG-O 2.95Å; C368-R400 VanDerWaalsContact SG-O 3.38Å; Y369-R400 PolarHBondContact O-NH2 3.2Å; A395-R400 HydrophobicContact CB-CG 3.95Å; A395-R400 PolarHBondContact O-NE 3.43Å; A395-R400 PolarHBondContact O-NH2 3.37Å; R396-R400 WeakPolarHBondContact O-CG 3.22Å; R396-R400 PolarHBondContact O-N 3.25Å; A397-R400 WeakPolarHBondContact O-CB 3.3Å; A397-R400 PolarHBondContact O-N 2.88Å; V398-R400 PolarHBondContact O-N 3.43Å; R400-P404 WeakPolarHBondContact O-CD 3.49Å; R400-P404 WeakPolarHBondContact O-CG 3.31Å
401F94.6Very high90.1Very high1 Ų136 Ų360%0.00417%0.173CC..Hα-helixtrans-92.2-38.2178.6-58.3-87000111.8Y352 N354 Y355 V357 V365 P367 V398 Q399 L594 L596Y352-F401 HydrophobicContact CD1-CE1 4.25Å; Y352-F401 HydrophobicContact CG-CD1 4.42Å; Y352-F401 HydrophobicContact CG-CE1 4.04Å; N354-F401 HydrophobicContact CB-CZ 4.12Å; Y355-F401 HydrophobicContact CD2-CE2 4.19Å; Y355-F401 HydrophobicContact CD2-CZ 4.21Å; V357-F401 HydrophobicContact CB-CE2 4.19Å; V357-F401 HydrophobicContact CG1-CD2 4.15Å; V357-F401 HydrophobicContact CG1-CE2 4.11Å; V365-F401 HydrophobicContact CG1-CB 4.22Å; V365-F401 HydrophobicContact CG1-CD1 4.32Å; V365-F401 WeakPolarHBondContact CG1-O 3.49Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.81Å; P367-F401 HydrophobicContact CB-CG 4.33Å; P367-F401 HydrophobicContact CB-CZ 4.27Å; P367-F401 HydrophobicContact CG-CD1 4.41Å; P367-F401 HydrophobicContact CG-CE1 3.99Å; V398-F401 PolarHBondContact O-N 3.16Å; Q399-F401 VanDerWaalsContact C-N 3.26Å; Q399-F401 PolarHBondContact O-N 2.86Å; F401-L594 HydrophobicContact CB-CD2 4.05Å; F401-L594 WeakPolarHBondContact O-CD2 3.33Å; F401-L596 HydrophobicContact CB-CD1 4.12Å; F401-L596 HydrophobicContact CB-CD2 3.81Å; F401-L596 HydrophobicContact CD2-CD2 4.36Å; F401-L596 HydrophobicContact CG-CD2 4.21Å
402A95.2Very high90.8Very high0 Ų035 Ų350%017%0.165CC..Hα-helixtrans-67.4-45.7-175.100000112.8V398 Q399 H405 V406 V412 S425 L596V398-A402 WeakPolarHBondContact O-CB 3.36Å; V398-A402 PolarHBondContact O-N 2.92Å; Q399-A402 PolarHBondContact O-N 3.29Å; A402-H405 PolarHBondContact O-N 2.85Å; A402-V406 VanDerWaalsContact O-CB 3.25Å; A402-V406 WeakPolarHBondContact O-CB 3.48Å; A402-V406 WeakPolarHBondContact O-CG2 2.97Å; A402-V406 PolarHBondContact O-N 2.71Å; A402-V412 HydrophobicContact CB-CG2 4.41Å; A402-S425 WeakPolarHBondContact CB-O 3.48Å; A402-L596 HydrophobicContact CB-CD1 3.87Å
403W94.7Very high91.8Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-56-56.2-177.9-68.9-17.7000113.4L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424L371-W403 HydrophobicContact CD2-CE3 4.07Å; L371-W403 HydrophobicContact CD2-CH2 3.51Å; L371-W403 HydrophobicContact CD2-CZ2 4.18Å; L371-W403 HydrophobicContact CD2-CZ3 3.44Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.44Å; L371-W403 HydrophobicContact CG-CH2 3.87Å; L371-W403 HydrophobicContact CG-CZ3 3.77Å; A374-W403 HydrophobicContact CB-CB 4.13Å; A374-W403 HydrophobicContact CB-CE3 4.25Å; I377-W403 HydrophobicContact CD1-CB 4.12Å; I377-W403 HydrophobicContact CD1-CD2 4.2Å; I377-W403 HydrophobicContact CD1-CG 3.98Å; M385-W403 HydrophobicContact CE-CH2 3.98Å; M385-W403 HydrophobicContact CE-CZ2 3.51Å; A391-W403 HydrophobicContact CB-CH2 3.71Å; A391-W403 HydrophobicContact CB-CZ3 4.42Å; A395-W403 HydrophobicContact CB-CE3 4.09Å; A395-W403 HydrophobicContact CB-CH2 4.01Å; A395-W403 HydrophobicContact CB-CZ3 3.5Å; Q399-W403 HydrophobicContact CB-CD2 4.09Å; Q399-W403 HydrophobicContact CB-CH2 4.34Å; Q399-W403 HydrophobicContact CB-CZ2 3.87Å; Q399-W403 HydrophobicContact CG-CZ2 4.1Å; Q399-W403 WeakPolarHBondContact O-CB 3.38Å; Q399-W403 PolarHBondContact O-N 3.48Å; W403-H405 PolarHBondContact O-N 2.61Å; W403-V406 PolarHBondContact O-N 3.45Å; W403-S407 WeakPolarHBondContact O-CB 3.36Å; W403-S407 PolarHBondContact O-N 3.43Å; W403-S407 PolarHBondContact O-OG 3.18Å; W403-S407 VanDerWaalsContact O-OG 3.1Å; W403-W424 PolarHBondContact NE1-O 3.31Å
404P92.9Very high92.8Very high16 Ų1622.1 Ų22.110%0.10410%0.1CC..Hα-helixtrans-68.5-13.4-179.627-35.4000114.7V365 V366 P375 R400 L408V365-P404 HydrophobicContact CG1-CG 4.48Å; V366-P404 VanDerWaalsContact O-CG 3.26Å; V366-P404 WeakPolarHBondContact O-CG 3.38Å; P375-P404 HydrophobicContact CG-CB 4.4Å; R400-P404 WeakPolarHBondContact O-CD 3.49Å; R400-P404 WeakPolarHBondContact O-CG 3.31Å; P404-L408 WeakPolarHBondContact O-CD1 3.46Å; P404-L408 WeakPolarHBondContact O-CG 3.33Å
405H93Very high93.2Very high5 Ų515 Ų152%0.0237%0.073CC..Hα-helixtrans-91.7-43.7174.5-177.190.1000112V365 A402 W403 L408 K410 S411 D592 L594V365-H405 HydrophobicContact CG1-CB 4.4Å; V365-H405 HydrophobicContact CG2-CB 4.29Å; A402-H405 PolarHBondContact O-N 2.85Å; W403-H405 PolarHBondContact O-N 2.61Å; H405-L408 PolarHBondContact O-N 3.06Å; H405-K410 WeakPolarHBondContact NE2-CB 3.25Å; H405-K410 PolarHBondContact O-N 2.94Å; H405-S411 PolarHBondContact CD2-O 3.14Å; H405-S411 PolarHBondContact NE2-O 3.03Å; H405-D592 PolarHBondContact CE1-O 2.77Å; H405-D592 PolarHBondContact NE2-O 2.81Å; H405-L594 HydrophobicContact CB-CD2 3.67Å; H405-L594 VanDerWaalsContact CD2-CB 3.42Å; H405-L594 WeakPolarHBondContact CD2-CB 3.43Å; H405-L594 VanDerWaalsContact NE2-CB 3.31Å; H405-L594 WeakPolarHBondContact NE2-CB 3.26Å; H405-L594 PolarHBondContact NE2-N 2.86Å
406V93.3Very high93.3Very high1 Ų114.9 Ų14.91%0.0067%0.072CC..Hα-helixtrans-70.8-35.3178.41740000111A402 W403 L408 G409 V412 T429 Q569 L571A402-V406 VanDerWaalsContact O-CB 3.25Å; A402-V406 WeakPolarHBondContact O-CB 3.48Å; A402-V406 WeakPolarHBondContact O-CG2 2.97Å; A402-V406 PolarHBondContact O-N 2.71Å; W403-V406 PolarHBondContact O-N 3.45Å; V406-L408 PolarHBondContact O-N 3.46Å; V406-G409 PolarHBondContact O-N 3.37Å; V406-V412 HydrophobicContact CG2-CB 3.77Å; V406-V412 HydrophobicContact CG2-CG1 3.61Å; V406-V412 HydrophobicContact CG2-CG2 4.33Å; V406-T429 HydrophobicContact CG1-CG2 4.07Å; V406-Q569 PolarHBondContact O-NE2 2.95Å; V406-Q569 VanDerWaalsContact O-NE2 3.11Å; V406-L571 HydrophobicContact CG1-CD2 4.06Å; V406-L571 HydrophobicContact CG2-CD2 4.16Å
407S90.1Very high93Very high1 Ų111.7 Ų11.71%0.0077%0.065CC..THydrogen-bonded Turntrans-62.1-27.517773.10000113.1D376 W403 G409 R433D376-S407 VanDerWaalsContact OD2-C 3.31Å; D376-S407 WeakPolarHBondContact OD2-CB 3.42Å; D376-S407 PolarHBondContact OD2-OG 3.47Å; W403-S407 WeakPolarHBondContact O-CB 3.36Å; W403-S407 PolarHBondContact O-N 3.43Å; W403-S407 PolarHBondContact O-OG 3.18Å; W403-S407 VanDerWaalsContact O-OG 3.1Å; S407-G409 VanDerWaalsContact C-N 3.31Å; S407-R433 PolarHBondContact O-NH2 3.38Å
408L88.9Confident92.6Very high87 Ų8715.3 Ų15.346%0.4558%0.081SC..THydrogen-bonded Turntrans-82.40.2171.3-61.4175.6000114.1P404 H405 V406P404-L408 WeakPolarHBondContact O-CD1 3.46Å; P404-L408 WeakPolarHBondContact O-CG 3.33Å; H405-L408 PolarHBondContact O-N 3.06Å; V406-L408 PolarHBondContact O-N 3.46Å
409G89.1Confident92Very high4 Ų423.8 Ų23.84%0.04112%0.12CC..THydrogen-bonded Turntrans83.317177.600000115.2V406 S407 R433 Q569V406-G409 PolarHBondContact O-N 3.37Å; S407-G409 VanDerWaalsContact C-N 3.31Å; G409-R433 VanDerWaalsContact CA-NH1 3.28Å; G409-Q569 VanDerWaalsContact C-CD 3.42Å
410K91.9Very high91.5Very high26 Ų2624.8 Ų24.811%0.11313%0.125CC..  trans-92.9145.3179.3-57.8-171.2-178.1-166.40111.9H363 H405 Q565 Q569H363-K410 PolarHBondContact CD2-NZ 2.68Å; H363-K410 PolarHBondContact CE1-NZ 3.37Å; H363-K410 VanDerWaalsContact CE1-NZ 3.33Å; H363-K410 PolarHBondContact ND1-NZ 3.25Å; H363-K410 PolarHBondContact NE2-NZ 3.29Å; H363-K410 VanDerWaalsContact NE2-NZ 3.15Å; H405-K410 WeakPolarHBondContact NE2-CB 3.25Å; H405-K410 PolarHBondContact O-N 2.94Å; K410-Q565 VanDerWaalsContact CE-OE1 3.23Å; K410-Q565 HydrophobicContact CG-CG 4.36Å; K410-Q569 PolarHBondContact O-NE2 2.94Å
411S94.7Very high91.2Very high3 Ų324.6 Ų24.62%0.02113%0.128CC..  trans-65.9147.6-176.2-61.10000112.4H405 L570 V593 L594H405-S411 PolarHBondContact CD2-O 3.14Å; H405-S411 PolarHBondContact NE2-O 3.03Å; S411-L570 WeakPolarHBondContact CA-O 3.39Å; S411-L570 WeakPolarHBondContact CB-O 3.22Å; S411-L570 PolarHBondContact OG-N 3.04Å; S411-L570 VanDerWaalsContact OG-N 3.12Å; S411-L570 PolarHBondContact OG-O 2.83Å; S411-V593 CarbonylContact O-C 3.58Å; S411-V593 WeakPolarHBondContact O-CA 3.37Å; S411-L594 PolarHBondContact O-N 2.75Å
412V96Very high91.2Very high0 Ų025 Ų250%013%0.129CC..EExtended strand (participates in β ladder)trans-137.3140.4-17979.20000111.7A402 V406 V414 Y426 L570 L571 V572 M590 L594 L596A402-V412 HydrophobicContact CB-CG2 4.41Å; V406-V412 HydrophobicContact CG2-CB 3.77Å; V406-V412 HydrophobicContact CG2-CG1 3.61Å; V406-V412 HydrophobicContact CG2-CG2 4.33Å; V412-V414 HydrophobicContact CG1-CG2 4.34Å; V412-V414 HydrophobicContact CG2-CG2 3.93Å; V412-Y426 HydrophobicContact CG1-CD1 4.22Å; V412-L570 PolarHBondContact N-O 3.02Å; V412-L571 HydrophobicContact CG1-CD2 3.74Å; V412-V572 PolarHBondContact O-N 3.09Å; V412-M590 VanDerWaalsContact O-CE 3.25Å; V412-M590 WeakPolarHBondContact O-CE 3.44Å; V412-L594 WeakPolarHBondContact CA-O 3.15Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.3Å; V412-L594 HydrophobicContact CG2-CG 4.32Å; V412-L594 VanDerWaalsContact CG2-O 3.31Å; V412-L594 WeakPolarHBondContact CG2-O 3.27Å; V412-L596 HydrophobicContact CG2-CD1 4.45Å
413L96.6Very high91.2Very high0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans-123.6112.2173.7171.456.6000108.9V415 V572 W577 M582 I586 L587 M590 V593 L594 V595 L596L413-V415 HydrophobicContact CD1-CG2 4.19Å; L413-V415 HydrophobicContact CG-CG2 4.4Å; L413-V572 CarbonylContact C-O 3.52Å; L413-V572 WeakPolarHBondContact CA-O 3.26Å; L413-V572 HydrophobicContact CD1-CB 3.73Å; L413-V572 HydrophobicContact CD1-CG1 3.6Å; L413-W577 HydrophobicContact CD2-CH2 4.16Å; L413-W577 HydrophobicContact CD2-CZ3 3.69Å; L413-M582 HydrophobicContact CD1-CE 4.42Å; L413-M582 HydrophobicContact CD1-SD 4.06Å; L413-M582 HydrophobicContact CD2-SD 4.1Å; L413-I586 HydrophobicContact CD2-CG2 4.43Å; L413-L587 HydrophobicContact CD2-CD2 4.28Å; L413-M590 HydrophobicContact CB-CE 4.18Å; L413-V593 HydrophobicContact CB-CG2 4.08Å; L413-L594 PolarHBondContact N-O 2.89Å; L413-V595 HydrophobicContact CB-CG2 4.46Å; L413-V595 HydrophobicContact CD2-CG1 4.27Å; L413-V595 HydrophobicContact CD2-CG2 4.44Å; L413-V595 HydrophobicContact CG-CG1 4.3Å; L413-V595 CarbonylContact O-C 3.35Å; L413-V595 WeakPolarHBondContact O-CA 3.27Å; L413-L596 PolarHBondContact O-N 3.3Å
414V96.8Very high91.2Very high0 Ų027 Ų270%014%0.139CC..EExtended strand (participates in β ladder)trans-112.6118.6-176.5-168.90000110.8V398 V412 K422 V572 S573 G574 L596V398-V414 HydrophobicContact CB-CG1 4.06Å; V398-V414 HydrophobicContact CG1-CG1 4.04Å; V398-V414 HydrophobicContact CG2-CG1 4.2Å; V412-V414 HydrophobicContact CG1-CG2 4.34Å; V412-V414 HydrophobicContact CG2-CG2 3.93Å; V414-K422 HydrophobicContact CB-CD 4.43Å; V414-K422 HydrophobicContact CB-CG 4.4Å; V414-K422 HydrophobicContact CG1-CB 4.36Å; V414-K422 HydrophobicContact CG1-CD 4.17Å; V414-K422 HydrophobicContact CG1-CG 3.86Å; V414-K422 WeakPolarHBondContact O-CD 3.48Å; V414-V572 PolarHBondContact N-O 2.87Å; V414-S573 CarbonylContact O-C 3.52Å; V414-S573 WeakPolarHBondContact O-CA 3.29Å; V414-G574 PolarHBondContact O-N 2.66Å; V414-L596 HydrophobicContact CG1-CB 4.35Å; V414-L596 HydrophobicContact CG2-CD1 4.32Å
415V95.4Very high91.3Very high0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-118135.9-179.3-179.50000110.7L413 W577 L596 F597 D598 E602L413-V415 HydrophobicContact CD1-CG2 4.19Å; L413-V415 HydrophobicContact CG-CG2 4.4Å; V415-W577 HydrophobicContact CG2-CE3 4.18Å; V415-L596 PolarHBondContact N-O 2.96Å; V415-F597 HydrophobicContact CB-CD1 3.96Å; V415-F597 HydrophobicContact CB-CE1 4.13Å; V415-F597 HydrophobicContact CG1-CD1 4.16Å; V415-F597 HydrophobicContact CG1-CE1 4.3Å; V415-F597 HydrophobicContact CG2-CE1 4.5Å; V415-F597 WeakPolarHBondContact O-CA 3.47Å; V415-D598 PolarHBondContact O-N 2.76Å; V415-E602 HydrophobicContact CG1-CB 4.31Å
416G91.9Very high91.4Very high0 Ų026 Ų260%013%0.133CC..  trans155.7-173.8175.300000112.6K422 G574 R575G416-K422 PolarHBondContact O-NZ 3.07Å; G416-G574 PolarHBondContact N-O 2.96Å; G416-R575 WeakPolarHBondContact O-CA 3.37Å
417N86.6Confident91.5Very high64 Ų6426 Ų2634%0.34213%0.132SC..  trans-60.2174-167.8-63.7-79.7000114.9I420 K422 D599 K720N417-I420 HydrophobicContact CB-CG2 4.06Å; N417-K422 PolarHBondContact O-NZ 3.28Å; N417-D599 PolarHBondContact ND2-OD2 3.38Å; N417-D599 PolarHBondContact OD1-OD2 3.3Å; N417-K720 PolarHBondContact OD1-NZ 2.87Å
418L81.6Confident91.8Very high98 Ų9825.9 Ų25.951%0.51313%0.132SC..THydrogen-bonded Turntrans-61156.2167.1-86.6179.1000110.9I420L418-I420 PolarHBondContact O-N 2.71Å
419Q80.8Confident91.9Very high179 Ų17922.1 Ų22.184%0.83611%0.112SC*.THydrogen-bonded Turntrans58.83.2172.4-58.9-178.12.300117.3R396 G421R396-Q419 PolarHBondContact NH1-O 2.85Å; Q419-G421 PolarHBondContact O-N 2.56Å
420I83.6Confident92.2Very high23 Ų2322.1 Ų22.112%0.11811%0.112CC..SBendtrans-65.1-21177.566.2168.4000113.1R396 N417 L418 K422 D598R396-I420 WeakPolarHBondContact CD-O 3.45Å; R396-I420 PolarHBondContact NH1-O 3.11Å; N417-I420 HydrophobicContact CB-CG2 4.06Å; L418-I420 PolarHBondContact O-N 2.71Å; I420-K422 HydrophobicContact CD1-CD 4.15Å; I420-K422 HydrophobicContact CD1-CG 3.63Å; I420-K422 HydrophobicContact CG1-CD 4.41Å; I420-K422 HydrophobicContact CG1-CG 3.58Å; I420-D598 HydrophobicContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CD1-CB 3.44Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.27Å
421G88.3Confident92.4Very high9 Ų920.9 Ų20.99%0.09311%0.106CC..  trans105.128.4177.900000114.7Q399 Q419 W424 S425Q399-G421 PolarHBondContact NE2-O 3.35Å; Q419-G421 PolarHBondContact O-N 2.56Å; G421-W424 CarbonylContact O-C 3.5Å; G421-W424 WeakPolarHBondContact O-CB 3.25Å; G421-W424 PolarHBondContact O-N 3.28Å; G421-S425 PolarHBondContact O-N 2.99Å; G421-S425 VanDerWaalsContact O-N 3.11Å; G421-S425 PolarHBondContact O-OG 2.86Å
422K93.9Very high92.3Very high9 Ų921.4 Ų21.44%0.03911%0.109CC..SBendtrans-53.7-56.6179.6-61.2-164.4-70.8-96.50113.2V414 G416 N417 I420 W424 S425 Y426 S573 G574V414-K422 HydrophobicContact CB-CD 4.43Å; V414-K422 HydrophobicContact CB-CG 4.4Å; V414-K422 HydrophobicContact CG1-CB 4.36Å; V414-K422 HydrophobicContact CG1-CD 4.17Å; V414-K422 HydrophobicContact CG1-CG 3.86Å; V414-K422 WeakPolarHBondContact O-CD 3.48Å; G416-K422 PolarHBondContact O-NZ 3.07Å; N417-K422 PolarHBondContact O-NZ 3.28Å; I420-K422 HydrophobicContact CD1-CD 4.15Å; I420-K422 HydrophobicContact CD1-CG 3.63Å; I420-K422 HydrophobicContact CG1-CD 4.41Å; I420-K422 HydrophobicContact CG1-CG 3.58Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 2.95Å; K422-S425 WeakPolarHBondContact O-CA 3.49Å; K422-S425 WeakPolarHBondContact O-CB 3.43Å; K422-S425 PolarHBondContact O-N 3.07Å; K422-S425 PolarHBondContact O-OG 3.29Å; K422-Y426 WeakPolarHBondContact O-CE1 3.35Å; K422-S573 WeakPolarHBondContact CB-OG 3.38Å; K422-S573 WeakPolarHBondContact CE-OG 3.3Å; K422-G574 WeakPolarHBondContact CD-O 3.31Å; K422-G574 WeakPolarHBondContact CE-O 3.33Å; K422-G574 PolarHBondContact NZ-O 2.63Å
423T95.1Very high92.1Very high18 Ų1825.6 Ų25.611%0.1112%0.124CC..G310 helixtrans-54.4-45.5177.9-33.70000111.2S425 Y426 L427 F452 I463 W466 D537T423-S425 PolarHBondContact O-N 2.94Å; T423-S425 VanDerWaalsContact O-N 3.11Å; T423-Y426 PolarHBondContact O-N 3.44Å; T423-L427 HydrophobicContact CG2-CB 4.45Å; T423-L427 HydrophobicContact CG2-CD2 4.38Å; T423-L427 WeakPolarHBondContact O-CB 3.47Å; T423-L427 PolarHBondContact O-N 2.88Å; T423-F452 HydrophobicContact CG2-CZ 3.99Å; T423-I463 HydrophobicContact CG2-CD1 4.15Å; T423-I463 HydrophobicContact CG2-CG1 4.27Å; T423-W466 HydrophobicContact CG2-CZ3 4.44Å; T423-D537 WeakPolarHBondContact CB-OD2 3.36Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.23Å; T423-D537 PolarHBondContact OG1-OD2 3.41Å
424W94.7Very high92Very high24 Ų2425.8 Ų25.89%0.09113%0.125CC..G310 helixtrans-65.5-8.6175.2-76.4106.8000115.4M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470M385-W424 HydrophobicContact CE-CE3 4.22Å; M385-W424 HydrophobicContact CG-CZ3 4.14Å; M388-W424 HydrophobicContact CE-CH2 3.69Å; M388-W424 HydrophobicContact CE-CZ3 4.39Å; M388-W424 HydrophobicContact SD-CH2 3.77Å; M388-W424 HydrophobicContact SD-CZ2 4.16Å; V390-W424 HydrophobicContact CG1-CD2 4.24Å; V390-W424 HydrophobicContact CG1-CE3 4.11Å; V390-W424 HydrophobicContact CG1-CG 4.5Å; V390-W424 HydrophobicContact CG2-CD2 3.86Å; V390-W424 HydrophobicContact CG2-CE3 3.97Å; V390-W424 HydrophobicContact CG2-CH2 4Å; V390-W424 HydrophobicContact CG2-CZ2 3.86Å; V390-W424 HydrophobicContact CG2-CZ3 4.04Å; Q399-W424 VanDerWaalsContact NE2-CB 3.34Å; W403-W424 PolarHBondContact NE1-O 3.31Å; G421-W424 CarbonylContact O-C 3.5Å; G421-W424 WeakPolarHBondContact O-CB 3.25Å; G421-W424 PolarHBondContact O-N 3.28Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 2.95Å; W424-Y426 VanDerWaalsContact C-N 3.26Å; W424-L427 HydrophobicContact CH2-CD2 4.39Å; W424-L427 HydrophobicContact CZ2-CD2 4.48Å; W424-L427 HydrophobicContact CZ3-CD2 4.45Å; W424-P428 HydrophobicContact CE3-CG 3.94Å; W424-P428 HydrophobicContact CZ3-CG 4.17Å; W424-W466 HydrophobicContact CH2-CB 4.11Å; W424-W466 HydrophobicContact CH2-CG 4.26Å; W424-W466 HydrophobicContact CZ2-CB 3.87Å; W424-W466 AromaticContact CZ2-CD1 3.77Å; W424-W466 AromaticContact CZ2-CD2 3.78Å; W424-W466 HydrophobicContact CZ2-CD2 3.78Å; W424-W466 HydrophobicContact CZ2-CE3 4.36Å; W424-W466 AromaticContact CZ2-CG 3.54Å; W424-W466 HydrophobicContact CZ2-CG 3.54Å; W424-W466 AromaticContact NE1-CD2 3.94Å; W424-W466 AromaticContact NE1-CE2 3.91Å; W424-W466 AromaticContact NE1-CE3 3.99Å; W424-W466 AromaticContact NE1-CZ2 3.97Å; W424-L470 HydrophobicContact CH2-CD1 4.21Å; W424-L470 HydrophobicContact CZ3-CD1 4.03Å; W424-L470 HydrophobicContact CZ3-CD2 4.26Å
425S94.9Very high91.8Very high0 Ų026.4 Ų26.40%013%0.128CC..G310 helixtrans-78.5-11.6175.3-53.60000112.7Q399 A402 G421 K422 T423Q399-S425 WeakPolarHBondContact CG-OG 3.46Å; A402-S425 WeakPolarHBondContact CB-O 3.48Å; G421-S425 PolarHBondContact O-N 2.99Å; G421-S425 VanDerWaalsContact O-N 3.11Å; G421-S425 PolarHBondContact O-OG 2.86Å; K422-S425 WeakPolarHBondContact O-CA 3.49Å; K422-S425 WeakPolarHBondContact O-CB 3.43Å; K422-S425 PolarHBondContact O-N 3.07Å; K422-S425 PolarHBondContact O-OG 3.29Å; T423-S425 PolarHBondContact O-N 2.94Å; T423-S425 VanDerWaalsContact O-N 3.11Å
426Y95.5Very high91.6Very high0 Ų029.4 Ų29.40%014%0.142CC..THydrogen-bonded Turntrans-142.9-25.5176.753.7-98.9000114.9V412 K422 T423 W424 T429 V430 F452 A535 D537 L571V412-Y426 HydrophobicContact CG1-CD1 4.22Å; K422-Y426 WeakPolarHBondContact O-CE1 3.35Å; T423-Y426 PolarHBondContact O-N 3.44Å; W424-Y426 VanDerWaalsContact C-N 3.26Å; Y426-T429 PolarHBondContact O-N 2.82Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; Y426-V430 HydrophobicContact CD2-CG2 4.09Å; Y426-V430 WeakPolarHBondContact O-CG2 3.42Å; Y426-V430 PolarHBondContact O-N 3.13Å; Y426-F452 AromaticContact CE2-CE2 3.86Å; Y426-F452 HydrophobicContact CE2-CE2 3.86Å; Y426-F452 AromaticContact CE2-CZ 3.93Å; Y426-F452 HydrophobicContact CE2-CZ 3.93Å; Y426-A535 HydrophobicContact CE2-CB 4.18Å; Y426-D537 WeakPolarHBondContact OH-CB 3.38Å; Y426-D537 VanDerWaalsContact OH-CG 3.31Å; Y426-D537 PolarHBondContact OH-OD1 3.18Å; Y426-L571 HydrophobicContact CD1-CB 4.47Å; Y426-L571 HydrophobicContact CD2-CB 4.23Å; Y426-L571 HydrophobicContact CD2-CD1 3.75Å; Y426-L571 HydrophobicContact CE2-CB 4.45Å; Y426-L571 HydrophobicContact CG-CB 4.24Å; Y426-L571 HydrophobicContact CG-CD1 3.97Å
427L95.9Very high91.6Very high0 Ų031.2 Ų31.20%015%0.152CC..Hα-helixtrans-49.2-41.6-178.5-176.266.4000115.2T423 W424 T429 V430 C431 F452 I463 W466 M467 L470T423-L427 HydrophobicContact CG2-CB 4.45Å; T423-L427 HydrophobicContact CG2-CD2 4.38Å; T423-L427 WeakPolarHBondContact O-CB 3.47Å; T423-L427 PolarHBondContact O-N 2.88Å; W424-L427 HydrophobicContact CH2-CD2 4.39Å; W424-L427 HydrophobicContact CZ2-CD2 4.48Å; W424-L427 HydrophobicContact CZ3-CD2 4.45Å; L427-T429 PolarHBondContact O-N 3.43Å; L427-V430 PolarHBondContact O-N 3.09Å; L427-C431 PolarHBondContact O-N 3.44Å; L427-C431 PolarHBondContact O-SG 3.01Å; L427-F452 HydrophobicContact CD1-CE2 4.01Å; L427-I463 HydrophobicContact CD1-CG2 4.33Å; L427-W466 HydrophobicContact CD2-CB 3.78Å; L427-W466 HydrophobicContact CD2-CE3 4.01Å; L427-M467 HydrophobicContact CD1-CE 3.69Å; L427-M467 HydrophobicContact CD1-CG 3.83Å; L427-L470 HydrophobicContact CD2-CD1 4.21Å; L427-L470 HydrophobicContact CG-CD1 3.9Å
428P94.5Very high91.8Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-59.6-46.2177.6-22.433.6000112.6I381 M385 W424 C431 Q432I381-P428 HydrophobicContact CG2-CB 3.68Å; M385-P428 HydrophobicContact CE-CB 4.18Å; M385-P428 HydrophobicContact CE-CG 3.41Å; M385-P428 VanDerWaalsContact CE-CG 3.41Å; M385-P428 HydrophobicContact CG-CG 4.34Å; M385-P428 HydrophobicContact SD-CB 3.54Å; M385-P428 VanDerWaalsContact SD-CB 3.54Å; M385-P428 HydrophobicContact SD-CG 3.45Å; M385-P428 WeakPolarHBondContact SD-CG 3.22Å; W424-P428 HydrophobicContact CE3-CG 3.94Å; W424-P428 HydrophobicContact CZ3-CG 4.17Å; P428-C431 PolarHBondContact O-N 2.99Å; P428-Q432 WeakPolarHBondContact O-CB 3.45Å; P428-Q432 PolarHBondContact O-N 2.91Å
429T93.1Very high92.2Very high7 Ų726.8 Ų26.84%0.04313%0.127CC..Hα-helixtrans-67.3-38.2177.8-480000111.5V406 Y426 L427 Q432 R433V406-T429 HydrophobicContact CG1-CG2 4.07Å; Y426-T429 PolarHBondContact O-N 2.82Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; L427-T429 PolarHBondContact O-N 3.43Å; T429-Q432 PolarHBondContact O-N 3.1Å; T429-R433 HydrophobicContact CG2-CG 4.14Å; T429-R433 WeakPolarHBondContact O-CB 3.32Å; T429-R433 WeakPolarHBondContact O-CG 3.11Å; T429-R433 PolarHBondContact O-N 2.99Å
430V94.9Very high92.5Very high4 Ų425.7 Ų25.72%0.02412%0.115CC..Hα-helixtrans-60-50.9175.2170.90000110.6Y426 L427 S434 C450 F452 I505 L571Y426-V430 HydrophobicContact CD2-CG2 4.09Å; Y426-V430 WeakPolarHBondContact O-CG2 3.42Å; Y426-V430 PolarHBondContact O-N 3.13Å; L427-V430 PolarHBondContact O-N 3.09Å; V430-S434 WeakPolarHBondContact O-CB 3.4Å; V430-S434 PolarHBondContact O-N 2.93Å; V430-S434 PolarHBondContact O-OG 3.29Å; V430-C450 HydrophobicContact CG1-CB 4.43Å; V430-F452 HydrophobicContact CG1-CD2 4.48Å; V430-I505 HydrophobicContact CG1-CD1 4.18Å; V430-L571 HydrophobicContact CG2-CD1 3.31Å
431C95.2Very high92.7Very high0 Ų026.1 Ų26.10%012%0.115CC..Hα-helixtrans-60.1-49.8178.3-67.70000111.5L427 P428 H435 L470 L471L427-C431 PolarHBondContact O-N 3.44Å; L427-C431 PolarHBondContact O-SG 3.01Å; P428-C431 PolarHBondContact O-N 2.99Å; C431-H435 WeakPolarHBondContact O-CB 3.39Å; C431-H435 PolarHBondContact O-N 2.75Å; C431-H435 VanDerWaalsContact O-N 3.08Å; C431-L470 HydrophobicContact CB-CB 3.86Å; C431-L470 HydrophobicContact CB-CD1 4.07Å; C431-L470 VanDerWaalsContact SG-CD1 3.53Å; C431-L471 HydrophobicContact CB-CD2 3.88Å; C431-L471 HydrophobicContact CB-CG 4.05Å; C431-L471 WeakPolarHBondContact O-CD2 3.23Å
432Q93.4Very high92.4Very high15 Ų1529.9 Ų29.97%0.0714%0.138CC..Hα-helixtrans-59.2-54-179-166.6-172-51.500112.2D376 I381 P428 T429 H435 E436D376-Q432 PolarHBondContact O-NE2 2.86Å; I381-Q432 HydrophobicContact CD1-CB 4.47Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.21Å; P428-Q432 WeakPolarHBondContact O-CB 3.45Å; P428-Q432 PolarHBondContact O-N 2.91Å; T429-Q432 PolarHBondContact O-N 3.1Å; Q432-H435 PolarHBondContact O-N 3.04Å; Q432-E436 HydrophobicContact CG-CG 4.49Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.48Å; Q432-E436 PolarHBondContact NE2-OE1 3.45Å; Q432-E436 WeakPolarHBondContact O-CB 3.16Å; Q432-E436 WeakPolarHBondContact O-CG 3.5Å; Q432-E436 PolarHBondContact O-N 2.84Å
433R91.9Very high91.7Very high88 Ų8835.6 Ų35.633%0.33217%0.169SC..Hα-helixtrans-65.7-41.8-178.2-72.4-176.7165-133.5-7.6112.3S407 G409 T429 H435 E436 D437S407-R433 PolarHBondContact O-NH2 3.38Å; G409-R433 VanDerWaalsContact CA-NH1 3.28Å; T429-R433 HydrophobicContact CG2-CG 4.14Å; T429-R433 WeakPolarHBondContact O-CB 3.32Å; T429-R433 WeakPolarHBondContact O-CG 3.11Å; T429-R433 PolarHBondContact O-N 2.99Å; R433-H435 VanDerWaalsContact C-N 3.28Å; R433-H435 PolarHBondContact O-N 3.37Å; R433-E436 PolarHBondContact O-N 2.99Å; R433-D437 WeakPolarHBondContact O-CB 3.46Å; R433-D437 PolarHBondContact O-N 3.31Å
434S93.6Very high91Very high3 Ų341.3 Ų41.32%0.02120%0.203CC..Hα-helixtrans-62.7-37.9-180-54.20000111.7V430 L438 C450V430-S434 WeakPolarHBondContact O-CB 3.4Å; V430-S434 PolarHBondContact O-N 2.93Å; V430-S434 PolarHBondContact O-OG 3.29Å; S434-L438 WeakPolarHBondContact O-CB 3.32Å; S434-L438 PolarHBondContact O-N 3.19Å; S434-C450 WeakPolarHBondContact OG-CB 3.47Å
435H92.9Very high90.5Very high14 Ų1440.6 Ų40.67%0.06520%0.204CC..Hα-helixtrans-71.8-51174.4178.184.3000112.1C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482C431-H435 WeakPolarHBondContact O-CB 3.39Å; C431-H435 PolarHBondContact O-N 2.75Å; C431-H435 VanDerWaalsContact O-N 3.08Å; Q432-H435 PolarHBondContact O-N 3.04Å; R433-H435 VanDerWaalsContact C-N 3.28Å; R433-H435 PolarHBondContact O-N 3.37Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 3.31Å; H435-L438 WeakPolarHBondContact O-CB 3.38Å; H435-L438 PolarHBondContact O-N 3.38Å; H435-L438 VanDerWaalsContact O-N 3.08Å; H435-Q439 PolarHBondContact CE1-NE2 2.94Å; H435-Q439 WeakPolarHBondContact O-CG 3.07Å; H435-Q439 PolarHBondContact O-N 3.18Å; H435-L471 HydrophobicContact CB-CD2 3.81Å; H435-L474 HydrophobicContact CB-CD1 3.81Å; H435-G475 PolarHBondContact CE1-O 2.89Å; H435-G475 PolarHBondContact NE2-O 3.43Å; H435-D482 IonicContact CE1-OD1 3.56Å; H435-D482 IonicContact CG-OD1 2.75Å; H435-D482 IonicContact ND1-OD1 3.6Å; H435-D482 PolarHBondContact ND1-OD1 3.49Å
436E91.4Very high90.2Very high62 Ų6245.1 Ų45.129%0.2922%0.221SC..Hα-helixtrans-54.4-45.4177.5-82.5-174.3-13700112.3Q432 R433 Q439 R440Q432-E436 HydrophobicContact CG-CG 4.49Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.48Å; Q432-E436 PolarHBondContact NE2-OE1 3.45Å; Q432-E436 WeakPolarHBondContact O-CB 3.16Å; Q432-E436 WeakPolarHBondContact O-CG 3.5Å; Q432-E436 PolarHBondContact O-N 2.84Å; R433-E436 PolarHBondContact O-N 2.99Å; E436-Q439 PolarHBondContact O-N 2.88Å; E436-R440 WeakPolarHBondContact O-CG 3.38Å; E436-R440 PolarHBondContact O-N 3.03Å; E436-R440 IonicContact OE2-CZ 3.56Å; E436-R440 IonicContact OE2-NH1 3.11Å; E436-R440 PolarHBondContact OE2-NH1 3.15Å; E436-R440 IonicContact OE2-NH2 2.86Å; E436-R440 PolarHBondContact OE2-NH2 3.05Å
437D91.2Very high90Very high39 Ų3945.1 Ų45.121%0.20922%0.221CC..Hα-helixtrans-73.2-31.5177.9-77-24.1000111.9R433 H435 R440 R441 T449R433-D437 WeakPolarHBondContact O-CB 3.46Å; R433-D437 PolarHBondContact O-N 3.31Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 3.31Å; D437-R440 WeakPolarHBondContact O-CB 3.32Å; D437-R440 PolarHBondContact O-N 3.27Å; D437-R440 VanDerWaalsContact O-N 3.08Å; D437-R440 IonicContact OD1-CZ 3.43Å; D437-R440 IonicContact OD1-NH1 2.71Å; D437-R440 PolarHBondContact OD1-NH1 3.09Å; D437-R441 VanDerWaalsContact O-CG 3.23Å; D437-R441 WeakPolarHBondContact O-CG 3.37Å; D437-R441 PolarHBondContact O-N 3.33Å; D437-T449 HydrophobicContact CB-CG2 3.7Å
438L91.8Very high90Very high0 Ų045.2 Ų45.20%022%0.221CC..Hα-helixtrans-59.9-43.7170.6-17964.3000111.6S434 H435 R440 R441 F480 P502S434-L438 WeakPolarHBondContact O-CB 3.32Å; S434-L438 PolarHBondContact O-N 3.19Å; H435-L438 WeakPolarHBondContact O-CB 3.38Å; H435-L438 PolarHBondContact O-N 3.38Å; H435-L438 VanDerWaalsContact O-N 3.08Å; L438-R440 PolarHBondContact O-N 3.37Å; L438-R440 VanDerWaalsContact O-N 3.15Å; L438-R441 PolarHBondContact O-N 2.86Å; L438-R441 VanDerWaalsContact O-N 3.08Å; L438-F480 HydrophobicContact CD1-CB 3.98Å; L438-F480 HydrophobicContact CD1-CD2 3.91Å; L438-F480 HydrophobicContact CD1-CG 4.25Å; L438-F480 HydrophobicContact CD2-CB 4.06Å; L438-F480 HydrophobicContact CG-CB 4.27Å; L438-F480 HydrophobicContact CG-CD2 4.28Å; L438-P502 HydrophobicContact CD1-CB 3.75Å
439Q88.9Confident90Very high68 Ų6845.3 Ų45.332%0.31822%0.222SC..THydrogen-bonded Turntrans-62.7-18.4175-58.8-42.6-56.700113.2H435 E436 S478H435-Q439 PolarHBondContact CE1-NE2 2.94Å; H435-Q439 WeakPolarHBondContact O-CG 3.07Å; H435-Q439 PolarHBondContact O-N 3.18Å; E436-Q439 PolarHBondContact O-N 2.88Å; Q439-S478 PolarHBondContact NE2-OG 2.93Å; Q439-S478 VanDerWaalsContact OE1-CB 3.25Å; Q439-S478 PolarHBondContact OE1-OG 2.93Å
440R88.8Confident90.2Very high157 Ų15745 Ų4559%0.59222%0.219SC*.THydrogen-bonded Turntrans-94.8-2.7177.6-62.1165.2-170.9136.47.5113.2E436 D437 L438E436-R440 WeakPolarHBondContact O-CG 3.38Å; E436-R440 PolarHBondContact O-N 3.03Å; E436-R440 IonicContact OE2-CZ 3.56Å; E436-R440 IonicContact OE2-NH1 3.11Å; E436-R440 PolarHBondContact OE2-NH1 3.15Å; E436-R440 IonicContact OE2-NH2 2.86Å; E436-R440 PolarHBondContact OE2-NH2 3.05Å; D437-R440 WeakPolarHBondContact O-CB 3.32Å; D437-R440 PolarHBondContact O-N 3.27Å; D437-R440 VanDerWaalsContact O-N 3.08Å; D437-R440 IonicContact OD1-CZ 3.43Å; D437-R440 IonicContact OD1-NH1 2.71Å; D437-R440 PolarHBondContact OD1-NH1 3.09Å; L438-R440 PolarHBondContact O-N 3.37Å; L438-R440 VanDerWaalsContact O-N 3.15Å
441R86.8Confident90.3Very high32 Ų3244.8 Ų44.812%0.12122%0.218CC..SBendtrans-84.9142-177.4-60.3-164.267.4-167.1-1.7111.9D437 L438 R446 G447 P502 D527 A530D437-R441 VanDerWaalsContact O-CG 3.23Å; D437-R441 WeakPolarHBondContact O-CG 3.37Å; D437-R441 PolarHBondContact O-N 3.33Å; L438-R441 PolarHBondContact O-N 2.86Å; L438-R441 VanDerWaalsContact O-N 3.08Å; R441-R446 PolarHBondContact NH1-O 2.73Å; R441-R446 PolarHBondContact NH2-O 3.37Å; R441-G447 PolarHBondContact NH1-O 3.21Å; R441-P502 HydrophobicContact CB-CB 4.27Å; R441-D527 IonicContact NH2-OD2 3.22Å; R441-A530 VanDerWaalsContact CZ-CB 3.41Å
442P82.6Confident90.5Very high87 Ų8744.8 Ų44.857%0.56522%0.218SC*.  trans-71.8150.9169.231.8-35.1000110.9V444 G445P442-V444 PolarHBondContact O-N 3.19Å; P442-V444 VanDerWaalsContact O-N 3.08Å; P442-G445 WeakPolarHBondContact O-CA 3.21Å; P442-G445 PolarHBondContact O-N 3.07Å
443D78.5Confident90.7Very high129 Ų12944 Ų4469%0.6922%0.215SC*.THydrogen-bonded Turntrans-57.9-25.3-179.7-57.8-5.5000114.4G445 F480D443-G445 PolarHBondContact O-N 3.2Å; D443-F480 HydrophobicContact CB-CZ 4.33Å; D443-F480 WeakPolarHBondContact OD1-CZ 3.49Å
444V80.5Confident90.9Very high139 Ų13939.9 Ų39.984%0.84220%0.199SC*.THydrogen-bonded Turntrans-83.51.3177.3-155.40000112.2P442P442-V444 PolarHBondContact O-N 3.19Å; P442-V444 VanDerWaalsContact O-N 3.08Å
445G83.3Confident90.7Very high9 Ų940.3 Ų40.39%0.09320%0.202CC..  trans-69.3166.1171.600000112.8P442 D443 K501 P502P442-G445 WeakPolarHBondContact O-CA 3.21Å; P442-G445 PolarHBondContact O-N 3.07Å; D443-G445 PolarHBondContact O-N 3.2Å; G445-K501 CarbonylContact O-C 3.58Å; G445-P502 WeakPolarHBondContact O-CD 3.25Å
446R89.3Confident90.4Very high95 Ų9542.9 Ų42.936%0.35822%0.216SC..  trans-148.7159.2-177.466.4-164.3-172.2-89.7-3112.8R441 K500 K501 G523 D527R441-R446 PolarHBondContact NH1-O 2.73Å; R441-R446 PolarHBondContact NH2-O 3.37Å; R446-K500 WeakPolarHBondContact CB-O 3.25Å; R446-K501 CarbonylContact C-O 3.6Å; R446-K501 WeakPolarHBondContact CA-O 3.14Å; R446-G523 VanDerWaalsContact CZ-O 3.31Å; R446-G523 PolarHBondContact NE-O 2.79Å; R446-G523 PolarHBondContact NH2-O 2.77Å; R446-D527 HydrophobicContact CG-CB 4.31Å
447G92.3Very high90.3Very high0 Ų043.8 Ų43.80%022%0.22CC..EExtended strand (participates in β ladder)trans70178.1179.800000114.3R441 L499 K501 V503 I525R441-G447 PolarHBondContact NH1-O 3.21Å; G447-L499 WeakPolarHBondContact CA-O 3.36Å; G447-L499 PolarHBondContact N-O 3.1Å; G447-K501 PolarHBondContact N-O 3.34Å; G447-K501 VanDerWaalsContact N-O 3.11Å; G447-V503 PolarHBondContact O-N 3.21Å; G447-I525 WeakPolarHBondContact CA-O 3.48Å
448P95.2Very high90.2Very high1 Ų144.4 Ų44.41%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-81.9155.2-176.334.7-33.1000112.4C450 I451 V503 L506 F526 V531P448-C450 WeakPolarHBondContact CB-O 3.38Å; P448-I451 HydrophobicContact CG-CD1 4.46Å; P448-I451 HydrophobicContact CG-CG1 3.78Å; P448-V503 CarbonylContact C-O 3.56Å; P448-V503 VanDerWaalsContact CA-O 3.29Å; P448-V503 WeakPolarHBondContact CA-O 3.5Å; P448-V503 HydrophobicContact CB-CG1 4.42Å; P448-L506 HydrophobicContact CB-CB 3.75Å; P448-L506 HydrophobicContact CG-CB 3.86Å; P448-L506 HydrophobicContact CG-CD2 4.37Å; P448-F526 HydrophobicContact CG-CD1 4.16Å; P448-F526 HydrophobicContact CG-CE1 4Å; P448-V531 HydrophobicContact CG-CG2 4.43Å; P448-V531 WeakPolarHBondContact O-CG2 3.36Å
449T94.9Very high90.1Very high2 Ų246.3 Ų46.31%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-79-32.2166.6-56.40000111.4D437 V503 G504 V531 K532D437-T449 HydrophobicContact CB-CG2 3.7Å; T449-V503 PolarHBondContact N-O 3.04Å; T449-V503 PolarHBondContact OG1-O 3.21Å; T449-G504 WeakPolarHBondContact CA-O 3.39Å; T449-G504 WeakPolarHBondContact CB-O 3.37Å; T449-G504 PolarHBondContact N-O 3.19Å; T449-V531 CarbonylContact O-C 3.57Å; T449-V531 WeakPolarHBondContact O-CA 3.24Å; T449-K532 HydrophobicContact CG2-CB 4.45Å; T449-K532 HydrophobicContact CG2-CG 4.15Å; T449-K532 PolarHBondContact O-N 2.8Å
450C96.7Very high90.4Very high0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-132.1138.8174.9177.40000112.1V430 S434 P448 G504 I505 L506 C533V430-C450 HydrophobicContact CG1-CB 4.43Å; S434-C450 WeakPolarHBondContact OG-CB 3.47Å; P448-C450 WeakPolarHBondContact CB-O 3.38Å; C450-G504 PolarHBondContact N-O 2.64Å; C450-I505 HydrophobicContact CB-CG1 4.31Å; C450-I505 HydrophobicContact CB-CG2 4.45Å; C450-I505 WeakPolarHBondContact O-CA 3.43Å; C450-L506 PolarHBondContact O-N 3.08Å; C450-C533 VanDerWaalsContact CA-O 3.3Å; C450-C533 WeakPolarHBondContact CA-O 3.26Å; C450-C533 HydrophobicContact CB-CB 4.09Å; C450-C533 VanDerWaalsContact SG-SG 3.65Å
451I97.8Very high90.6Very high0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-106.1120.7170.4-56.2174.1000108.6P448 V453 L513 F526 V531 C533 I534 A535 F561P448-I451 HydrophobicContact CG-CD1 4.46Å; P448-I451 HydrophobicContact CG-CG1 3.78Å; I451-V453 HydrophobicContact CG2-CG2 4.19Å; I451-L513 HydrophobicContact CG2-CD1 4.03Å; I451-L513 HydrophobicContact CG2-CD2 3.74Å; I451-F526 HydrophobicContact CD1-CD1 3.94Å; I451-F526 HydrophobicContact CD1-CE1 3.7Å; I451-F526 HydrophobicContact CG1-CE1 4.31Å; I451-V531 HydrophobicContact CD1-CG1 4.2Å; I451-V531 HydrophobicContact CD1-CG2 4.16Å; I451-V531 HydrophobicContact CG1-CG1 4.23Å; I451-V531 HydrophobicContact CG1-CG2 4.38Å; I451-C533 PolarHBondContact N-O 3.45Å; I451-I534 HydrophobicContact CB-CG1 4.31Å; I451-I534 CarbonylContact O-C 3.58Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.34Å; I451-A535 PolarHBondContact O-N 2.75Å; I451-F561 HydrophobicContact CD1-CE1 4.42Å; I451-F561 HydrophobicContact CD1-CE2 4.19Å; I451-F561 HydrophobicContact CD1-CZ 3.74Å
452F98.4Very high90.9Very high0 Ų043.3 Ų43.30%024%0.238CC..EExtended strand (participates in β ladder)trans-115120.6178.8-156.5-64000109.8T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537T423-F452 HydrophobicContact CG2-CZ 3.99Å; Y426-F452 AromaticContact CE2-CE2 3.86Å; Y426-F452 HydrophobicContact CE2-CE2 3.86Å; Y426-F452 AromaticContact CE2-CZ 3.93Å; Y426-F452 HydrophobicContact CE2-CZ 3.93Å; L427-F452 HydrophobicContact CD1-CE2 4.01Å; V430-F452 HydrophobicContact CG1-CD2 4.48Å; F452-I463 HydrophobicContact CE1-CD1 3.8Å; F452-I463 HydrophobicContact CE1-CG2 4.08Å; F452-I463 HydrophobicContact CE2-CG2 4.46Å; F452-I463 HydrophobicContact CZ-CD1 4.22Å; F452-I463 HydrophobicContact CZ-CG2 4.03Å; F452-M467 HydrophobicContact CB-CE 4.06Å; F452-M467 HydrophobicContact CD1-CE 4.42Å; F452-M467 HydrophobicContact CD2-CE 3.27Å; F452-M467 HydrophobicContact CE2-CE 3.73Å; F452-M467 HydrophobicContact CG-CE 3.67Å; F452-M467 HydrophobicContact CZ-CE 4.47Å; F452-I505 HydrophobicContact CB-CG2 4.03Å; F452-L506 PolarHBondContact N-O 3.23Å; F452-L507 HydrophobicContact CB-CB 4.35Å; F452-L507 HydrophobicContact CB-CD1 3.94Å; F452-L507 HydrophobicContact CD1-CD1 3.54Å; F452-L507 HydrophobicContact CE1-CD1 4.38Å; F452-L507 HydrophobicContact CG-CD1 3.99Å; F452-L507 WeakPolarHBondContact O-CA 3.33Å; F452-T508 PolarHBondContact O-N 3.09Å; F452-A535 HydrophobicContact CD1-CB 4.4Å; F452-A535 HydrophobicContact CD2-CB 3.55Å; F452-A535 HydrophobicContact CE2-CB 3.74Å; F452-A535 HydrophobicContact CG-CB 3.92Å; F452-A535 HydrophobicContact CZ-CB 4.24Å; F452-D537 HydrophobicContact CE1-CB 3.74Å; F452-D537 HydrophobicContact CZ-CB 4.06Å
453V98.1Very high91.5Very high0 Ų039.3 Ų39.30%021%0.212CC..EExtended strand (participates in β ladder)trans-113.5132.8-179.9-167.70000109.3I451 T508 V510 L513 A535 L536 D537 M542I451-V453 HydrophobicContact CG2-CG2 4.19Å; V453-T508 WeakPolarHBondContact CA-O 3.41Å; V453-V510 HydrophobicContact CG1-CG2 3.76Å; V453-L513 HydrophobicContact CG2-CD2 3.58Å; V453-A535 PolarHBondContact N-O 2.77Å; V453-L536 HydrophobicContact CB-CD2 3.86Å; V453-L536 HydrophobicContact CG2-CD2 3.86Å; V453-D537 PolarHBondContact O-N 3.38Å; V453-M542 HydrophobicContact CB-CE 4.05Å; V453-M542 HydrophobicContact CG1-CE 3.95Å; V453-M542 HydrophobicContact CG1-SD 3.96Å; V453-M542 WeakPolarHBondContact O-CE 3.37Å
454C95.4Very high92.4Very high0 Ų035.6 Ų35.60%019%0.19CC..  trans-132.4166.3170.774.10000111.2N456 G460 I463 W487 T508C454-N456 PolarHBondContact O-N 3.15Å; C454-N456 PolarHBondContact SG-O 2.81Å; C454-N456 VanDerWaalsContact SG-O 3.33Å; C454-G460 WeakPolarHBondContact SG-CA 3.34Å; C454-G460 PolarHBondContact SG-N 2.86Å; C454-G460 VanDerWaalsContact SG-N 3.43Å; C454-I463 HydrophobicContact CB-CD1 4.26Å; C454-W487 VanDerWaalsContact SG-CH2 3.52Å; C454-T508 PolarHBondContact N-O 2.83Å
455P89.4Confident93Very high12 Ų1237.8 Ų37.88%0.07818%0.183CC..SBendtrans-72.4-22.5-169.5-16.531.2000115.2Q459 D537 N538 D541 M542P455-Q459 VanDerWaalsContact CD-OE1 3.23Å; P455-D537 WeakPolarHBondContact CD-O 3.33Å; P455-N538 HydrophobicContact CG-CB 3.9Å; P455-D541 HydrophobicContact CB-CB 3.71Å; P455-D541 HydrophobicContact CG-CB 3.47Å; P455-D541 VanDerWaalsContact CG-CB 3.47Å; P455-M542 HydrophobicContact CB-CG 4.26Å; P455-M542 HydrophobicContact CG-CG 4.07Å
456N87.3Confident93.6Very high68 Ų6840.3 Ų40.336%0.36419%0.19SC..SBendtrans-164161.5-178.857.574.4000112.3C454 G458 Q459 G460C454-N456 PolarHBondContact O-N 3.15Å; C454-N456 PolarHBondContact SG-O 2.81Å; C454-N456 VanDerWaalsContact SG-O 3.33Å; N456-G458 PolarHBondContact O-N 3.2Å; N456-G458 VanDerWaalsContact O-N 3.17Å; N456-G458 WeakPolarHBondContact OD1-CA 3.45Å; N456-G458 PolarHBondContact OD1-N 3.28Å; N456-Q459 PolarHBondContact O-N 2.89Å; N456-Q459 PolarHBondContact OD1-N 3.3Å; N456-G460 PolarHBondContact O-N 2.81Å
457Q89.8Confident93.9Very high81 Ų8135.8 Ų35.838%0.37917%0.173SC..Hα-helixtrans-55.8-30.2177.4-175.5-169.682.100113.5G460 K461 W487Q457-G460 PolarHBondContact O-N 2.97Å; Q457-K461 VanDerWaalsContact CD-CE 3.44Å; Q457-K461 VanDerWaalsContact CD-NZ 3.26Å; Q457-K461 HydrophobicContact CG-CD 3.88Å; Q457-K461 HydrophobicContact CG-CG 4.1Å; Q457-K461 WeakPolarHBondContact O-CB 3.31Å; Q457-K461 WeakPolarHBondContact O-CG 3.42Å; Q457-K461 PolarHBondContact O-N 2.9Å; Q457-W487 HydrophobicContact CB-CB 4.38Å; Q457-W487 HydrophobicContact CB-CD2 4.02Å; Q457-W487 HydrophobicContact CB-CE3 4Å; Q457-W487 HydrophobicContact CB-CG 4.2Å; Q457-W487 HydrophobicContact CG-CB 3.95Å; Q457-W487 HydrophobicContact CG-CD2 3.83Å; Q457-W487 HydrophobicContact CG-CE3 4.34Å; Q457-W487 HydrophobicContact CG-CG 3.63Å
458G89.3Confident93.9Very high53 Ų5338.7 Ų38.755%0.54619%0.193SC..Hα-helixtrans-64.6-49.418000000112.5N456 G460 Q462N456-G458 PolarHBondContact O-N 3.2Å; N456-G458 VanDerWaalsContact O-N 3.17Å; N456-G458 WeakPolarHBondContact OD1-CA 3.45Å; N456-G458 PolarHBondContact OD1-N 3.28Å; G458-G460 VanDerWaalsContact C-N 3.34Å; G458-Q462 PolarHBondContact O-N 2.77Å
459Q88.9Confident93.7Very high39 Ų3941.3 Ų41.318%0.18221%0.21CC..Hα-helixtrans-65.6-40.1170.9-65.2-174.216.800110.9P455 N456 K461 Q462 I463 N538P455-Q459 VanDerWaalsContact CD-OE1 3.23Å; N456-Q459 PolarHBondContact O-N 2.89Å; N456-Q459 PolarHBondContact OD1-N 3.3Å; Q459-K461 PolarHBondContact O-N 3.08Å; Q459-Q462 WeakPolarHBondContact O-CB 3.39Å; Q459-Q462 PolarHBondContact O-N 3.11Å; Q459-Q462 VanDerWaalsContact O-N 3.11Å; Q459-I463 WeakPolarHBondContact O-CG1 3.33Å; Q459-I463 PolarHBondContact O-N 2.63Å; Q459-N538 PolarHBondContact OE1-ND2 2.95Å
460G94.1Very high93.6Very high0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-53.4-53.6176.700000113.7C454 N456 Q457 G458 Q462 I463 E464 W487C454-G460 WeakPolarHBondContact SG-CA 3.34Å; C454-G460 PolarHBondContact SG-N 2.86Å; C454-G460 VanDerWaalsContact SG-N 3.43Å; N456-G460 PolarHBondContact O-N 2.81Å; Q457-G460 PolarHBondContact O-N 2.97Å; G458-G460 VanDerWaalsContact C-N 3.34Å; G460-Q462 PolarHBondContact O-N 3.43Å; G460-I463 PolarHBondContact O-N 3.06Å; G460-I463 VanDerWaalsContact O-N 3.08Å; G460-E464 VanDerWaalsContact O-CB 3.32Å; G460-E464 WeakPolarHBondContact O-CB 3.44Å; G460-E464 PolarHBondContact O-N 2.84Å; G460-W487 VanDerWaalsContact CA-CH2 3.5Å; G460-W487 VanDerWaalsContact CA-CZ2 3.43Å
461K94Very high93.3Very high91 Ų9141.5 Ų41.540%0.39621%0.21SC..Hα-helixtrans-61.3-25.5177.2-77.1172.9170.9169.40113.6Q457 Q459 R465Q457-K461 VanDerWaalsContact CD-CE 3.44Å; Q457-K461 VanDerWaalsContact CD-NZ 3.26Å; Q457-K461 HydrophobicContact CG-CD 3.88Å; Q457-K461 HydrophobicContact CG-CG 4.1Å; Q457-K461 WeakPolarHBondContact O-CB 3.31Å; Q457-K461 WeakPolarHBondContact O-CG 3.42Å; Q457-K461 PolarHBondContact O-N 2.9Å; Q459-K461 PolarHBondContact O-N 3.08Å; K461-R465 WeakPolarHBondContact O-CD 3.14Å; K461-R465 VanDerWaalsContact O-CG 3.3Å; K461-R465 WeakPolarHBondContact O-CG 3.37Å; K461-R465 PolarHBondContact O-N 2.98Å
462Q93.4Very high92.8Very high104 Ų10446.1 Ų46.149%0.48624%0.241SC..Hα-helixtrans-75.7-42.7172.8-173175.132.700111.5G458 Q459 G460 R465 W466G458-Q462 PolarHBondContact O-N 2.77Å; Q459-Q462 WeakPolarHBondContact O-CB 3.39Å; Q459-Q462 PolarHBondContact O-N 3.11Å; Q459-Q462 VanDerWaalsContact O-N 3.11Å; G460-Q462 PolarHBondContact O-N 3.43Å; Q462-R465 PolarHBondContact O-N 3.3Å; Q462-W466 HydrophobicContact CG-CD2 4.46Å; Q462-W466 HydrophobicContact CG-CH2 3.81Å; Q462-W466 HydrophobicContact CG-CZ2 3.62Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 PolarHBondContact O-N 2.87Å
463I95.8Very high92.1Very high3 Ų349.4 Ų49.42%0.01526%0.259CS..Hα-helixtrans-68.3-41.1177.9-64.2171.5000110.8T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507T423-I463 HydrophobicContact CG2-CD1 4.15Å; T423-I463 HydrophobicContact CG2-CG1 4.27Å; L427-I463 HydrophobicContact CD1-CG2 4.33Å; F452-I463 HydrophobicContact CE1-CD1 3.8Å; F452-I463 HydrophobicContact CE1-CG2 4.08Å; F452-I463 HydrophobicContact CE2-CG2 4.46Å; F452-I463 HydrophobicContact CZ-CD1 4.22Å; F452-I463 HydrophobicContact CZ-CG2 4.03Å; C454-I463 HydrophobicContact CB-CD1 4.26Å; Q459-I463 WeakPolarHBondContact O-CG1 3.33Å; Q459-I463 PolarHBondContact O-N 2.63Å; G460-I463 PolarHBondContact O-N 3.06Å; G460-I463 VanDerWaalsContact O-N 3.08Å; I463-R465 VanDerWaalsContact C-N 3.34Å; I463-R465 PolarHBondContact O-N 2.96Å; I463-W466 HydrophobicContact CG1-CE3 4.11Å; I463-W466 HydrophobicContact CG1-CZ3 4.06Å; I463-W466 PolarHBondContact O-N 3.4Å; I463-W466 VanDerWaalsContact O-N 3.12Å; I463-M467 HydrophobicContact CG2-CE 3.7Å; I463-M467 HydrophobicContact CG2-CG 4.3Å; I463-M467 HydrophobicContact CG2-SD 4.13Å; I463-M467 WeakPolarHBondContact O-CG 3.22Å; I463-M467 PolarHBondContact O-N 3.03Å; I463-L507 HydrophobicContact CB-CD2 4.47Å; I463-L507 HydrophobicContact CG2-CD1 4.47Å; I463-L507 HydrophobicContact CG2-CD2 4.29Å
464E95.8Very high91.4Very high50 Ų5051.2 Ų51.223%0.23427%0.268CS..Hα-helixtrans-52.3-48173.2-178173.3-148.200111.5G460 W466 M467 S468 T485 L507G460-E464 VanDerWaalsContact O-CB 3.32Å; G460-E464 WeakPolarHBondContact O-CB 3.44Å; G460-E464 PolarHBondContact O-N 2.84Å; E464-W466 PolarHBondContact O-N 3.19Å; E464-M467 PolarHBondContact O-N 3.08Å; E464-S468 PolarHBondContact O-N 2.78Å; E464-S468 PolarHBondContact O-OG 3.02Å; E464-S468 VanDerWaalsContact O-OG 3.12Å; E464-T485 HydrophobicContact CB-CG2 4.4Å; E464-T485 VanDerWaalsContact CD-CG2 3.46Å; E464-T485 HydrophobicContact CG-CG2 3.86Å; E464-T485 WeakPolarHBondContact OE1-CB 3.33Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.5Å; E464-T485 PolarHBondContact OE1-OG1 3.11Å; E464-L507 HydrophobicContact CB-CD2 3.91Å
465R94.1Very high90.3Very high185 Ų18552.8 Ų52.870%0.69828%0.284SS*.Hα-helixtrans-59.7-45.1175.5-70.8167.6-177.1-172-0.7112.3K461 Q462 I463 S468 T469K461-R465 WeakPolarHBondContact O-CD 3.14Å; K461-R465 VanDerWaalsContact O-CG 3.3Å; K461-R465 WeakPolarHBondContact O-CG 3.37Å; K461-R465 PolarHBondContact O-N 2.98Å; Q462-R465 PolarHBondContact O-N 3.3Å; I463-R465 VanDerWaalsContact C-N 3.34Å; I463-R465 PolarHBondContact O-N 2.96Å; R465-S468 PolarHBondContact O-N 3.33Å; R465-T469 PolarHBondContact O-N 3.05Å; R465-T469 VanDerWaalsContact O-N 3.11Å; R465-T469 PolarHBondContact O-OG1 3.46Å
466W94.8Very high89.1Confident62 Ų6256 Ų5624%0.23531%0.307CS..Hα-helixtrans-65.1-40.4177-62.5-30.1000112.3T423 W424 L427 Q462 I463 E464 T469 L470T423-W466 HydrophobicContact CG2-CZ3 4.44Å; W424-W466 HydrophobicContact CH2-CB 4.11Å; W424-W466 HydrophobicContact CH2-CG 4.26Å; W424-W466 HydrophobicContact CZ2-CB 3.87Å; W424-W466 AromaticContact CZ2-CD1 3.77Å; W424-W466 AromaticContact CZ2-CD2 3.78Å; W424-W466 HydrophobicContact CZ2-CD2 3.78Å; W424-W466 HydrophobicContact CZ2-CE3 4.36Å; W424-W466 AromaticContact CZ2-CG 3.54Å; W424-W466 HydrophobicContact CZ2-CG 3.54Å; W424-W466 AromaticContact NE1-CD2 3.94Å; W424-W466 AromaticContact NE1-CE2 3.91Å; W424-W466 AromaticContact NE1-CE3 3.99Å; W424-W466 AromaticContact NE1-CZ2 3.97Å; L427-W466 HydrophobicContact CD2-CB 3.78Å; L427-W466 HydrophobicContact CD2-CE3 4.01Å; Q462-W466 HydrophobicContact CG-CD2 4.46Å; Q462-W466 HydrophobicContact CG-CH2 3.81Å; Q462-W466 HydrophobicContact CG-CZ2 3.62Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 PolarHBondContact O-N 2.87Å; I463-W466 HydrophobicContact CG1-CE3 4.11Å; I463-W466 HydrophobicContact CG1-CZ3 4.06Å; I463-W466 PolarHBondContact O-N 3.4Å; I463-W466 VanDerWaalsContact O-N 3.12Å; E464-W466 PolarHBondContact O-N 3.19Å; W466-T469 PolarHBondContact O-N 3.05Å; W466-L470 VanDerWaalsContact O-CG 3.26Å; W466-L470 WeakPolarHBondContact O-CG 3.37Å; W466-L470 PolarHBondContact O-N 3.19Å; W466-L470 VanDerWaalsContact O-N 3.07Å
467M95.4Very high87.6Confident0 Ų057.3 Ų57.30%033%0.327CS..Hα-helixtrans-59.3-51.4174.1-72.6177169.700110.8L427 F452 I463 E464 T469 L470 L471 V483 I505 L507L427-M467 HydrophobicContact CD1-CE 3.69Å; L427-M467 HydrophobicContact CD1-CG 3.83Å; F452-M467 HydrophobicContact CB-CE 4.06Å; F452-M467 HydrophobicContact CD1-CE 4.42Å; F452-M467 HydrophobicContact CD2-CE 3.27Å; F452-M467 HydrophobicContact CE2-CE 3.73Å; F452-M467 HydrophobicContact CG-CE 3.67Å; F452-M467 HydrophobicContact CZ-CE 4.47Å; I463-M467 HydrophobicContact CG2-CE 3.7Å; I463-M467 HydrophobicContact CG2-CG 4.3Å; I463-M467 HydrophobicContact CG2-SD 4.13Å; I463-M467 WeakPolarHBondContact O-CG 3.22Å; I463-M467 PolarHBondContact O-N 3.03Å; E464-M467 PolarHBondContact O-N 3.08Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 3.44Å; M467-L470 PolarHBondContact O-N 2.75Å; M467-L470 VanDerWaalsContact O-N 3.07Å; M467-L471 HydrophobicContact CB-CD1 4.09Å; M467-L471 WeakPolarHBondContact O-CB 3.23Å; M467-L471 WeakPolarHBondContact O-CD1 3.15Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.43Å; M467-L471 PolarHBondContact O-N 2.96Å; M467-V483 HydrophobicContact CB-CG2 4.17Å; M467-V483 HydrophobicContact SD-CG1 4.4Å; M467-I505 HydrophobicContact CE-CD1 4.05Å; M467-I505 HydrophobicContact CE-CG2 3.92Å; M467-I505 HydrophobicContact CG-CD1 4.4Å; M467-I505 HydrophobicContact SD-CD1 4Å; M467-I505 HydrophobicContact SD-CG2 4.13Å; M467-L507 HydrophobicContact SD-CD2 3.95Å
468S92.3Very high86.2Confident61 Ų6154.3 Ų54.343%0.42732%0.315SS..Hα-helixtrans-59-39.3179.8-61.30000112.8E464 R465 C472E464-S468 PolarHBondContact O-N 2.78Å; E464-S468 PolarHBondContact O-OG 3.02Å; E464-S468 VanDerWaalsContact O-OG 3.12Å; R465-S468 PolarHBondContact O-N 3.33Å; S468-C472 WeakPolarHBondContact O-CB 3.48Å; S468-C472 PolarHBondContact O-N 3.38Å
469T91.3Very high85.3Confident57 Ų5755.7 Ų55.735%0.3533%0.329SS..Hα-helixtrans-68.7-35.3174.8-52.10000113M388 R465 W466 M467M388-T469 HydrophobicContact CE-CG2 3.82Å; M388-T469 HydrophobicContact CG-CG2 3.88Å; M388-T469 HydrophobicContact SD-CG2 3.71Å; R465-T469 PolarHBondContact O-N 3.05Å; R465-T469 VanDerWaalsContact O-N 3.11Å; R465-T469 PolarHBondContact O-OG1 3.46Å; W466-T469 PolarHBondContact O-N 3.05Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 3.44Å
470L93.3Very high85.1Confident0 Ų055.4 Ų55.40%033%0.328CS..Hα-helixtrans-69.2-40.7175.4-70.2167000112.3I381 A384 M385 M388 W424 L427 C431 W466 M467I381-L470 HydrophobicContact CD1-CB 3.98Å; I381-L470 HydrophobicContact CD1-CD2 4Å; I381-L470 WeakPolarHBondContact CD1-O 3.25Å; I381-L470 HydrophobicContact CG2-CD2 4.22Å; A384-L470 HydrophobicContact CB-CD2 4.02Å; M385-L470 HydrophobicContact CG-CD2 4.01Å; M388-L470 HydrophobicContact CE-CD2 3.72Å; M388-L470 HydrophobicContact CE-CG 3.9Å; W424-L470 HydrophobicContact CH2-CD1 4.21Å; W424-L470 HydrophobicContact CZ3-CD1 4.03Å; W424-L470 HydrophobicContact CZ3-CD2 4.26Å; L427-L470 HydrophobicContact CD2-CD1 4.21Å; L427-L470 HydrophobicContact CG-CD1 3.9Å; C431-L470 HydrophobicContact CB-CB 3.86Å; C431-L470 HydrophobicContact CB-CD1 4.07Å; C431-L470 VanDerWaalsContact SG-CD1 3.53Å; W466-L470 VanDerWaalsContact O-CG 3.26Å; W466-L470 WeakPolarHBondContact O-CG 3.37Å; W466-L470 PolarHBondContact O-N 3.19Å; W466-L470 VanDerWaalsContact O-N 3.07Å; M467-L470 PolarHBondContact O-N 2.75Å; M467-L470 VanDerWaalsContact O-N 3.07Å
471L91.5Very high85Confident5 Ų559 Ų593%0.02634%0.344CS..Hα-helixtrans-82.8-39.4-172.6-66.4161000112.3C431 H435 M467 L473 L474 G475 D482 V483 I505C431-L471 HydrophobicContact CB-CD2 3.88Å; C431-L471 HydrophobicContact CB-CG 4.05Å; C431-L471 WeakPolarHBondContact O-CD2 3.23Å; H435-L471 HydrophobicContact CB-CD2 3.81Å; M467-L471 HydrophobicContact CB-CD1 4.09Å; M467-L471 WeakPolarHBondContact O-CB 3.23Å; M467-L471 WeakPolarHBondContact O-CD1 3.15Å; M467-L471 VanDerWaalsContact O-CG 3.25Å; M467-L471 WeakPolarHBondContact O-CG 3.43Å; M467-L471 PolarHBondContact O-N 2.96Å; L471-L473 PolarHBondContact O-N 3.27Å; L471-L473 VanDerWaalsContact O-N 3.12Å; L471-L474 HydrophobicContact CD2-CD1 4.33Å; L471-L474 WeakPolarHBondContact O-CB 3.4Å; L471-L474 PolarHBondContact O-N 3.4Å; L471-G475 PolarHBondContact O-N 2.88Å; L471-D482 HydrophobicContact CD1-CB 4.28Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; L471-I505 HydrophobicContact CD1-CD1 4.26Å
472C87.2Confident84.8Confident97 Ų9755.7 Ų55.766%0.65533%0.331SS*.Hα-helixtrans-53.3-36.1178178.30000112.9S468 G475S468-C472 WeakPolarHBondContact O-CB 3.48Å; S468-C472 PolarHBondContact O-N 3.38Å; C472-G475 PolarHBondContact O-N 3.2Å
473L82Confident84.9Confident69 Ų6952.1 Ų52.136%0.36132%0.316SS..THydrogen-bonded Turntrans-79.6-16.6179.7-73.4167.5000114.4I380 A384 L471I380-L473 VanDerWaalsContact CG2-C 3.46Å; I380-L473 HydrophobicContact CG2-CB 3.87Å; I380-L473 WeakPolarHBondContact CG2-O 3.3Å; A384-L473 HydrophobicContact CB-CD1 3.53Å; L471-L473 PolarHBondContact O-N 3.27Å; L471-L473 VanDerWaalsContact O-N 3.12Å
474L83.9Confident84.9Confident39 Ų3952 Ų5220%0.20432%0.315CS..THydrogen-bonded Turntrans-75.4-31.3167.9-65.8173.5000111.2I380 I381 H435 L471I380-L474 HydrophobicContact CB-CD2 4.12Å; I380-L474 HydrophobicContact CD1-CD2 4.31Å; I380-L474 HydrophobicContact CG2-CD2 3.85Å; I380-L474 HydrophobicContact CG2-CG 4.41Å; I381-L474 HydrophobicContact CD1-CD1 4.21Å; I381-L474 HydrophobicContact CD1-CD2 4.49Å; I381-L474 HydrophobicContact CD1-CG 4.33Å; I381-L474 HydrophobicContact CG1-CD2 4.19Å; H435-L474 HydrophobicContact CB-CD1 3.81Å; L471-L474 HydrophobicContact CD2-CD1 4.33Å; L471-L474 WeakPolarHBondContact O-CB 3.4Å; L471-L474 PolarHBondContact O-N 3.4Å
475G72.6Confident84.9Confident32 Ų3250.8 Ų50.833%0.3331%0.312SS..  trans80.3143.6-177.500000112.9H435 L471 C472 A477H435-G475 PolarHBondContact CE1-O 2.89Å; H435-G475 PolarHBondContact NE2-O 3.43Å; L471-G475 PolarHBondContact O-N 2.88Å; C472-G475 PolarHBondContact O-N 3.2Å; G475-A477 PolarHBondContact O-N 3.33Å
476S64.4Low85Confident81 Ų8142 Ų4257%0.56628%0.278SS*.  trans-95.589.9-176.6-52.10000111D482S476-D482 PolarHBondContact OG-OD2 2.75Å
477A56.1Low84.9Confident94 Ų9440.8 Ų40.878%0.77727%0.274SS*.  trans-76.3-32.3176.700000112.8G475G475-A477 PolarHBondContact O-N 3.33Å
478S60.3Low84.5Confident18 Ų1843.9 Ų43.913%0.12629%0.29CS..SBendtrans-83.8140.1171.361.30000112.3Q439 F480Q439-S478 PolarHBondContact NE2-OG 2.93Å; Q439-S478 VanDerWaalsContact OE1-CB 3.25Å; Q439-S478 PolarHBondContact OE1-OG 2.93Å; S478-F480 PolarHBondContact O-N 3.41Å
479G71.4Confident84.1Confident82 Ų8246 Ų4685%0.84529%0.292SS*.SBendtrans-72.836.7169.900000115
480F84.6Confident83.8Confident34 Ų3448.6 Ų48.615%0.14931%0.308CS..SBendtrans-114.5161.4-179.2-59-44.4000111.2L438 D443 S478 D482 P502L438-F480 HydrophobicContact CD1-CB 3.98Å; L438-F480 HydrophobicContact CD1-CD2 3.91Å; L438-F480 HydrophobicContact CD1-CG 4.25Å; L438-F480 HydrophobicContact CD2-CB 4.06Å; L438-F480 HydrophobicContact CG-CB 4.27Å; L438-F480 HydrophobicContact CG-CD2 4.28Å; D443-F480 HydrophobicContact CB-CZ 4.33Å; D443-F480 WeakPolarHBondContact OD1-CZ 3.49Å; S478-F480 PolarHBondContact O-N 3.41Å; F480-D482 PolarHBondContact O-N 3.37Å; F480-P502 HydrophobicContact CD1-CB 4.31Å; F480-P502 HydrophobicContact CD1-CG 4.26Å; F480-P502 HydrophobicContact CD2-CB 4Å; F480-P502 HydrophobicContact CD2-CG 4.32Å; F480-P502 HydrophobicContact CE1-CB 4.49Å; F480-P502 HydrophobicContact CE1-CG 3.98Å; F480-P502 HydrophobicContact CE2-CB 4.19Å; F480-P502 HydrophobicContact CE2-CG 4.04Å; F480-P502 HydrophobicContact CG-CB 4.11Å; F480-P502 HydrophobicContact CG-CG 4.47Å; F480-P502 HydrophobicContact CZ-CB 4.46Å; F480-P502 HydrophobicContact CZ-CG 3.89Å
481E90.4Very high83.6Confident75 Ų7553 Ų5335%0.3533%0.328SS..EExtended strand (participates in β ladder)trans-83.2113.6180-58.9-171.5-110.500110.5V483 V484 R498 V503 G504E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 PolarHBondContact O-N 3.42Å; E481-V484 HydrophobicContact CB-CG2 3.89Å; E481-R498 VanDerWaalsContact OE1-CG 3.29Å; E481-R498 WeakPolarHBondContact OE1-CG 3.32Å; E481-R498 IonicContact OE1-CZ 3.41Å; E481-R498 IonicContact OE1-NE 2.73Å; E481-R498 PolarHBondContact OE1-NE 3.05Å; E481-R498 IonicContact OE2-CZ 3.32Å; E481-R498 VanDerWaalsContact OE2-CZ 3.22Å; E481-R498 IonicContact OE2-NE 3.03Å; E481-R498 PolarHBondContact OE2-NE 2.62Å; E481-R498 IonicContact OE2-NH2 3.27Å; E481-R498 PolarHBondContact OE2-NH2 2.72Å; E481-V503 WeakPolarHBondContact O-CA 3.21Å; E481-G504 PolarHBondContact O-N 3.46Å
482D91.1Very high83.4Confident21 Ų2153.8 Ų53.811%0.11233%0.332CS..EExtended strand (participates in β ladder)trans-60.6-35.7175.8-78.8-69.2000112.3H435 L471 S476 F480 G504 I505H435-D482 IonicContact CE1-OD1 3.56Å; H435-D482 IonicContact CG-OD1 2.75Å; H435-D482 IonicContact ND1-OD1 3.6Å; H435-D482 PolarHBondContact ND1-OD1 3.49Å; L471-D482 HydrophobicContact CD1-CB 4.28Å; S476-D482 PolarHBondContact OG-OD2 2.75Å; F480-D482 PolarHBondContact O-N 3.37Å; D482-G504 CarbonylContact O-C 3.5Å; D482-G504 WeakPolarHBondContact O-CA 3.33Å; D482-I505 PolarHBondContact O-N 3.15Å
483V94.7Very high83.4Confident29 Ų2954.8 Ų54.818%0.17634%0.335CS..EExtended strand (participates in β ladder)trans-138.5130.6175.1-170.80000111M467 L471 E481 T485 I505M467-V483 HydrophobicContact CB-CG2 4.17Å; M467-V483 HydrophobicContact SD-CG1 4.4Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 PolarHBondContact O-N 3.42Å; V483-T485 HydrophobicContact CG1-CG2 3.99Å; V483-I505 CarbonylContact C-O 3.31Å; V483-I505 WeakPolarHBondContact CA-O 3.28Å; V483-I505 HydrophobicContact CG2-CB 4.49Å
484V95.4Very high83.9Confident0 Ų054.2 Ų54.20%033%0.333CS..EExtended strand (participates in β ladder)trans-114.5120.4166.7171.90000108.4E481 I495 R498 V503 I505 L506 L507E481-V484 HydrophobicContact CB-CG2 3.89Å; V484-I495 HydrophobicContact CG1-CD1 3.85Å; V484-I495 HydrophobicContact CG1-CG2 4.37Å; V484-R498 HydrophobicContact CG2-CB 4.48Å; V484-V503 HydrophobicContact CB-CG1 4Å; V484-V503 HydrophobicContact CG2-CB 4.42Å; V484-V503 HydrophobicContact CG2-CG1 3.6Å; V484-V503 HydrophobicContact CG2-CG2 3.88Å; V484-I505 PolarHBondContact N-O 3.4Å; V484-L506 HydrophobicContact CG1-CD1 4.32Å; V484-L506 WeakPolarHBondContact O-CA 3.4Å; V484-L507 PolarHBondContact O-N 3.45Å
485T96.3Very high84.4Confident25 Ų2552.4 Ų52.415%0.15332%0.323CS..EExtended strand (participates in β ladder)trans-101.3139.8175.153.90000112.1E464 V483 I495 L507E464-T485 HydrophobicContact CB-CG2 4.4Å; E464-T485 VanDerWaalsContact CD-CG2 3.46Å; E464-T485 HydrophobicContact CG-CG2 3.86Å; E464-T485 WeakPolarHBondContact OE1-CB 3.33Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.5Å; E464-T485 PolarHBondContact OE1-OG1 3.11Å; V483-T485 HydrophobicContact CG1-CG2 3.99Å; T485-I495 WeakPolarHBondContact O-CD1 3.45Å; T485-L507 WeakPolarHBondContact CA-O 3.39Å; T485-L507 HydrophobicContact CG2-CB 4.07Å; T485-L507 HydrophobicContact CG2-CD2 3.95Å; T485-L507 HydrophobicContact CG2-CG 4.2Å
486H95.4Very high85.3Confident0 Ų052.3 Ų52.30%032%0.316CS..EExtended strand (participates in β ladder)trans-133111.8179.3178.339.8000110.1D488 I495 L506 L507 T508 L512H486-D488 PolarHBondContact CE1-O 3.21Å; H486-D488 PolarHBondContact ND1-O 3.02Å; H486-I495 HydrophobicContact CB-CD1 4.22Å; H486-I495 HydrophobicContact CB-CG1 4Å; H486-I495 HydrophobicContact CB-CG2 4.09Å; H486-L506 HydrophobicContact CB-CD1 4.44Å; H486-L507 PolarHBondContact N-O 3.27Å; H486-T508 WeakPolarHBondContact O-CB 3.25Å; H486-T508 PolarHBondContact O-OG1 2.76Å; H486-L512 VanDerWaalsContact O-CD1 3.24Å; H486-L512 WeakPolarHBondContact O-CD1 3.5Å
487W92.8Very high86.5Confident38 Ų3855.4 Ų55.414%0.14432%0.316CS..  trans-130.7-5.7-174.9-56.8122.3000115.1C454 Q457 G460 L507 T508 L512C454-W487 VanDerWaalsContact SG-CH2 3.52Å; Q457-W487 HydrophobicContact CB-CB 4.38Å; Q457-W487 HydrophobicContact CB-CD2 4.02Å; Q457-W487 HydrophobicContact CB-CE3 4Å; Q457-W487 HydrophobicContact CB-CG 4.2Å; Q457-W487 HydrophobicContact CG-CB 3.95Å; Q457-W487 HydrophobicContact CG-CD2 3.83Å; Q457-W487 HydrophobicContact CG-CE3 4.34Å; Q457-W487 HydrophobicContact CG-CG 3.63Å; G460-W487 VanDerWaalsContact CA-CH2 3.5Å; G460-W487 VanDerWaalsContact CA-CZ2 3.43Å; W487-L507 HydrophobicContact CH2-CD1 4.15Å; W487-L507 HydrophobicContact CH2-CG 4.01Å; W487-L507 HydrophobicContact CZ2-CD1 4.37Å; W487-L507 HydrophobicContact CZ2-CD2 4.18Å; W487-L507 HydrophobicContact CZ2-CG 3.77Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; W487-L512 VanDerWaalsContact C-CD1 3.47Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å
488D87.9Confident88.3Confident64 Ų6453.3 Ų53.334%0.34229%0.288SS..  trans-134.7135.1-179-179.810000110.6H486 T490 Q491H486-D488 PolarHBondContact CE1-O 3.21Å; H486-D488 PolarHBondContact ND1-O 3.02Å; D488-T490 VanDerWaalsContact C-N 3.29Å; D488-T490 VanDerWaalsContact CG-OG1 3.27Å; D488-T490 PolarHBondContact O-N 2.93Å; D488-T490 PolarHBondContact OD1-N 3.39Å; D488-T490 PolarHBondContact OD2-OG1 3.04Å; D488-Q491 HydrophobicContact CB-CG 4.14Å; D488-Q491 PolarHBondContact O-N 3.15Å
489K83.9Confident89.8Confident105 Ų10552.5 Ų52.546%0.45728%0.282SS..G310 helixtrans-68.9-24.8179.8-62.4-173.4173.9167.40112.5Q491 D511 L512K489-Q491 PolarHBondContact O-N 3.29Å; K489-D511 WeakPolarHBondContact CE-OD2 3.35Å; K489-D511 IonicContact NZ-OD2 2.69Å; K489-D511 PolarHBondContact NZ-OD2 2.73Å; K489-L512 HydrophobicContact CB-CD2 4.5Å; K489-L512 HydrophobicContact CD-CD2 4.19Å; K489-L512 HydrophobicContact CG-CD2 3.38Å
490T85.3Confident90.8Very high113 Ų11354.9 Ų54.969%0.69327%0.269SS*.G310 helixtrans-64.7-31.8173.8750000111.9D488 L492D488-T490 VanDerWaalsContact C-N 3.29Å; D488-T490 VanDerWaalsContact CG-OG1 3.27Å; D488-T490 PolarHBondContact O-N 2.93Å; D488-T490 PolarHBondContact OD1-N 3.39Å; D488-T490 PolarHBondContact OD2-OG1 3.04Å; T490-L492 VanDerWaalsContact C-N 3.26Å; T490-L492 PolarHBondContact O-N 3.45Å
491Q87.6Confident91Very high92 Ų9259.5 Ų59.543%0.4329%0.289SS..G310 helixtrans-81.71.7-174-60.7179.2-13.200113.8D488 K489 V493 D494 I495D488-Q491 HydrophobicContact CB-CG 4.14Å; D488-Q491 PolarHBondContact O-N 3.15Å; K489-Q491 PolarHBondContact O-N 3.29Å; Q491-V493 VanDerWaalsContact C-N 3.25Å; Q491-V493 PolarHBondContact O-N 3.47Å; Q491-V493 VanDerWaalsContact O-N 3.12Å; Q491-D494 PolarHBondContact O-N 2.74Å; Q491-I495 HydrophobicContact CB-CG1 4.45Å; Q491-I495 PolarHBondContact O-N 2.75Å
492L87.6Confident91.1Very high21 Ų2156 Ų5611%0.1127%0.273CS..Hα-helixtrans-47.6-46.2-175.5-178.872.5000112.8T490 D494 I495 V496 Q515 L516T490-L492 VanDerWaalsContact C-N 3.26Å; T490-L492 PolarHBondContact O-N 3.45Å; L492-D494 VanDerWaalsContact C-N 3.32Å; L492-D494 PolarHBondContact O-N 2.99Å; L492-I495 PolarHBondContact O-N 3.17Å; L492-V496 HydrophobicContact CD1-CG2 4.24Å; L492-V496 HydrophobicContact CG-CG2 4.27Å; L492-V496 VanDerWaalsContact O-CB 3.31Å; L492-V496 WeakPolarHBondContact O-CB 3.42Å; L492-V496 WeakPolarHBondContact O-CG2 3.16Å; L492-V496 PolarHBondContact O-N 3.49Å; L492-Q515 HydrophobicContact CD1-CG 4.01Å; L492-Q515 HydrophobicContact CD2-CG 4.38Å; L492-L516 HydrophobicContact CD1-CD2 3.71Å; L492-L516 HydrophobicContact CD1-CG 4.33Å
493V88.5Confident91.3Very high118 Ų11855 Ų5572%0.71527%0.268SS*.Hα-helixtrans-64.4-36.8-177-1780000111.8Q491 R497Q491-V493 VanDerWaalsContact C-N 3.25Å; Q491-V493 PolarHBondContact O-N 3.47Å; Q491-V493 VanDerWaalsContact O-N 3.12Å; V493-R497 VanDerWaalsContact O-CB 3.31Å; V493-R497 WeakPolarHBondContact O-CB 3.4Å; V493-R497 PolarHBondContact O-N 3.16Å
494D91.9Very high91.2Very high58 Ų5853.7 Ų53.731%0.3126%0.26SS..Hα-helixtrans-72.7-42.3177.2-174.565.3000112.2Q491 L492 V496 R497 R498Q491-D494 PolarHBondContact O-N 2.74Å; L492-D494 VanDerWaalsContact C-N 3.32Å; L492-D494 PolarHBondContact O-N 2.99Å; D494-V496 PolarHBondContact O-N 3.2Å; D494-R497 WeakPolarHBondContact O-CA 3.46Å; D494-R497 WeakPolarHBondContact O-CB 3.46Å; D494-R497 PolarHBondContact O-N 2.94Å; D494-R497 VanDerWaalsContact O-N 3.11Å; D494-R497 IonicContact OD1-CZ 2.79Å; D494-R497 IonicContact OD1-NE 2.69Å; D494-R497 PolarHBondContact OD1-NE 2.78Å; D494-R497 IonicContact OD1-NH2 3.52Å; D494-R497 PolarHBondContact OD1-NH2 2.99Å; D494-R497 IonicContact OD2-NH2 2.71Å; D494-R498 WeakPolarHBondContact O-CG 3.32Å; D494-R498 PolarHBondContact O-N 3.12Å; D494-R498 WeakPolarHBondContact OD2-CD 3.32Å; D494-R498 IonicContact OD2-NH1 3.17Å
495I93.7Very high91.3Very high0 Ų053.7 Ų53.70%026%0.26CS..Hα-helixtrans-64.8-42.5176.6-59.3-59000110.4V484 T485 H486 Q491 L492 R497 R498 L499 L516V484-I495 HydrophobicContact CG1-CD1 3.85Å; V484-I495 HydrophobicContact CG1-CG2 4.37Å; T485-I495 WeakPolarHBondContact O-CD1 3.45Å; H486-I495 HydrophobicContact CB-CD1 4.22Å; H486-I495 HydrophobicContact CB-CG1 4Å; H486-I495 HydrophobicContact CB-CG2 4.09Å; Q491-I495 HydrophobicContact CB-CG1 4.45Å; Q491-I495 PolarHBondContact O-N 2.75Å; L492-I495 PolarHBondContact O-N 3.17Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 2.89Å; I495-R498 PolarHBondContact O-N 2.57Å; I495-L499 HydrophobicContact CG2-CD1 3.83Å; I495-L499 HydrophobicContact CG2-CG 4.25Å; I495-L499 WeakPolarHBondContact O-CB 3.36Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.48Å; I495-L499 PolarHBondContact O-N 2.98Å; I495-L516 HydrophobicContact CG2-CD1 4.08Å; I495-L516 HydrophobicContact CG2-CD2 4Å
496V91.9Very high91.4Very high31 Ų3152.5 Ų52.519%0.18825%0.252CS..Hα-helixtrans-60.3-37.5171.4167.10000111.6L492 D494 K500 L516 I525L492-V496 HydrophobicContact CD1-CG2 4.24Å; L492-V496 HydrophobicContact CG-CG2 4.27Å; L492-V496 VanDerWaalsContact O-CB 3.31Å; L492-V496 WeakPolarHBondContact O-CB 3.42Å; L492-V496 WeakPolarHBondContact O-CG2 3.16Å; L492-V496 PolarHBondContact O-N 3.49Å; D494-V496 PolarHBondContact O-N 3.2Å; V496-K500 WeakPolarHBondContact O-CG 3.47Å; V496-K500 PolarHBondContact O-N 2.95Å; V496-L516 HydrophobicContact CG2-CD2 3.87Å; V496-I525 HydrophobicContact CG1-CG2 4.1Å; V496-I525 HydrophobicContact CG2-CD1 4.27Å
497R90.8Very high91.5Very high146 Ų14652.5 Ų52.555%0.55125%0.252SS*.Hα-helixtrans-65.8-41.3175.1178.9-165.469.278.10.6112V493 D494 I495V493-R497 VanDerWaalsContact O-CB 3.31Å; V493-R497 WeakPolarHBondContact O-CB 3.4Å; V493-R497 PolarHBondContact O-N 3.16Å; D494-R497 WeakPolarHBondContact O-CA 3.46Å; D494-R497 WeakPolarHBondContact O-CB 3.46Å; D494-R497 PolarHBondContact O-N 2.94Å; D494-R497 VanDerWaalsContact O-N 3.11Å; D494-R497 IonicContact OD1-CZ 2.79Å; D494-R497 IonicContact OD1-NE 2.69Å; D494-R497 PolarHBondContact OD1-NE 2.78Å; D494-R497 IonicContact OD1-NH2 3.52Å; D494-R497 PolarHBondContact OD1-NH2 2.99Å; D494-R497 IonicContact OD2-NH2 2.71Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 2.89Å
498R92.5Very high91.8Very high50 Ų5050.7 Ų50.719%0.18925%0.245CC..Hα-helixtrans-70.5-45.4178.9-69.6162.370.7-169.31.1111.6E481 V484 D494 I495 K500 K501E481-R498 VanDerWaalsContact OE1-CG 3.29Å; E481-R498 WeakPolarHBondContact OE1-CG 3.32Å; E481-R498 IonicContact OE1-CZ 3.41Å; E481-R498 IonicContact OE1-NE 2.73Å; E481-R498 PolarHBondContact OE1-NE 3.05Å; E481-R498 IonicContact OE2-CZ 3.32Å; E481-R498 VanDerWaalsContact OE2-CZ 3.22Å; E481-R498 IonicContact OE2-NE 3.03Å; E481-R498 PolarHBondContact OE2-NE 2.62Å; E481-R498 IonicContact OE2-NH2 3.27Å; E481-R498 PolarHBondContact OE2-NH2 2.72Å; V484-R498 HydrophobicContact CG2-CB 4.48Å; D494-R498 WeakPolarHBondContact O-CG 3.32Å; D494-R498 PolarHBondContact O-N 3.12Å; D494-R498 WeakPolarHBondContact OD2-CD 3.32Å; D494-R498 IonicContact OD2-NH1 3.17Å; I495-R498 PolarHBondContact O-N 2.57Å; R498-K500 PolarHBondContact O-N 2.77Å; R498-K500 VanDerWaalsContact O-N 3.07Å; R498-K501 PolarHBondContact O-N 3.08Å
499L92.9Very high92.1Very high0 Ų048.2 Ų48.20%023%0.233CC..THydrogen-bonded Turntrans-67.9-3.4177.3-64.1176.9000114.9G447 I495 K501 V503 L506 L516 I525G447-L499 WeakPolarHBondContact CA-O 3.36Å; G447-L499 PolarHBondContact N-O 3.1Å; I495-L499 HydrophobicContact CG2-CD1 3.83Å; I495-L499 HydrophobicContact CG2-CG 4.25Å; I495-L499 WeakPolarHBondContact O-CB 3.36Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.48Å; I495-L499 PolarHBondContact O-N 2.98Å; L499-K501 VanDerWaalsContact C-N 3.25Å; L499-V503 HydrophobicContact CD2-CB 4.39Å; L499-V503 HydrophobicContact CD2-CG1 4.48Å; L499-V503 HydrophobicContact CD2-CG2 4.23Å; L499-L506 HydrophobicContact CD1-CD1 4.36Å; L499-L506 HydrophobicContact CD1-CD2 4.03Å; L499-L506 HydrophobicContact CD2-CD1 4.47Å; L499-L516 HydrophobicContact CD1-CD1 4.08Å; L499-L516 HydrophobicContact CD1-CD2 4.3Å; L499-I525 HydrophobicContact CB-CB 4Å; L499-I525 HydrophobicContact CB-CG2 4.16Å
500K90.7Very high92.5Very high132 Ų13243.3 Ų43.357%0.57421%0.212SC*.THydrogen-bonded Turntrans-73.4-15166.9-77.9173.8-177.9-1760113.5R446 V496 R498 I525R446-K500 WeakPolarHBondContact CB-O 3.25Å; V496-K500 WeakPolarHBondContact O-CG 3.47Å; V496-K500 PolarHBondContact O-N 2.95Å; R498-K500 PolarHBondContact O-N 2.77Å; R498-K500 VanDerWaalsContact O-N 3.07Å; K500-I525 HydrophobicContact CG-CG2 4.3Å
501K90.4Very high92.7Very high132 Ų13239.5 Ų39.557%0.57419%0.187SC*.SBendtrans-102.2170.2172.6-72.4-168.5173.8-167.40111.1G445 R446 G447 R498 L499G445-K501 CarbonylContact O-C 3.58Å; R446-K501 CarbonylContact C-O 3.6Å; R446-K501 WeakPolarHBondContact CA-O 3.14Å; G447-K501 PolarHBondContact N-O 3.34Å; G447-K501 VanDerWaalsContact N-O 3.11Å; R498-K501 PolarHBondContact O-N 3.08Å; L499-K501 VanDerWaalsContact C-N 3.25Å
502P92.8Very high93Very high1 Ų135.3 Ų35.31%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-60.9137.4165.4-18.433000110.5L438 R441 G445 F480L438-P502 HydrophobicContact CD1-CB 3.75Å; R441-P502 HydrophobicContact CB-CB 4.27Å; G445-P502 WeakPolarHBondContact O-CD 3.25Å; F480-P502 HydrophobicContact CD1-CB 4.31Å; F480-P502 HydrophobicContact CD1-CG 4.26Å; F480-P502 HydrophobicContact CD2-CB 4Å; F480-P502 HydrophobicContact CD2-CG 4.32Å; F480-P502 HydrophobicContact CE1-CB 4.49Å; F480-P502 HydrophobicContact CE1-CG 3.98Å; F480-P502 HydrophobicContact CE2-CB 4.19Å; F480-P502 HydrophobicContact CE2-CG 4.04Å; F480-P502 HydrophobicContact CG-CB 4.11Å; F480-P502 HydrophobicContact CG-CG 4.47Å; F480-P502 HydrophobicContact CZ-CB 4.46Å; F480-P502 HydrophobicContact CZ-CG 3.89Å
503V93.6Very high93.4Very high1 Ų134.4 Ų34.41%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-136146.3176.5167.30000108.4G447 P448 T449 E481 V484 L499G447-V503 PolarHBondContact O-N 3.21Å; P448-V503 CarbonylContact C-O 3.56Å; P448-V503 VanDerWaalsContact CA-O 3.29Å; P448-V503 WeakPolarHBondContact CA-O 3.5Å; P448-V503 HydrophobicContact CB-CG1 4.42Å; T449-V503 PolarHBondContact N-O 3.04Å; T449-V503 PolarHBondContact OG1-O 3.21Å; E481-V503 WeakPolarHBondContact O-CA 3.21Å; V484-V503 HydrophobicContact CB-CG1 4Å; V484-V503 HydrophobicContact CG2-CB 4.42Å; V484-V503 HydrophobicContact CG2-CG1 3.6Å; V484-V503 HydrophobicContact CG2-CG2 3.88Å; L499-V503 HydrophobicContact CD2-CB 4.39Å; L499-V503 HydrophobicContact CD2-CG1 4.48Å; L499-V503 HydrophobicContact CD2-CG2 4.23Å
504G94.2Very high93.5Very high1 Ų129.3 Ų29.31%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-69.5-74.5175.600000111.5T449 C450 E481 D482T449-G504 WeakPolarHBondContact CA-O 3.39Å; T449-G504 WeakPolarHBondContact CB-O 3.37Å; T449-G504 PolarHBondContact N-O 3.19Å; C450-G504 PolarHBondContact N-O 2.64Å; E481-G504 PolarHBondContact O-N 3.46Å; D482-G504 CarbonylContact O-C 3.5Å; D482-G504 WeakPolarHBondContact O-CA 3.33Å
505I97.2Very high93.4Very high0 Ų028.7 Ų28.70%013%0.127CC..EExtended strand (participates in β ladder)trans-121127.6-176.3-49.8178.8000110.7V430 C450 F452 M467 L471 D482 V483 V484V430-I505 HydrophobicContact CG1-CD1 4.18Å; C450-I505 HydrophobicContact CB-CG1 4.31Å; C450-I505 HydrophobicContact CB-CG2 4.45Å; C450-I505 WeakPolarHBondContact O-CA 3.43Å; F452-I505 HydrophobicContact CB-CG2 4.03Å; M467-I505 HydrophobicContact CE-CD1 4.05Å; M467-I505 HydrophobicContact CE-CG2 3.92Å; M467-I505 HydrophobicContact CG-CD1 4.4Å; M467-I505 HydrophobicContact SD-CD1 4Å; M467-I505 HydrophobicContact SD-CG2 4.13Å; L471-I505 HydrophobicContact CD1-CD1 4.26Å; D482-I505 PolarHBondContact O-N 3.15Å; V483-I505 CarbonylContact C-O 3.31Å; V483-I505 WeakPolarHBondContact CA-O 3.28Å; V483-I505 HydrophobicContact CG2-CB 4.49Å; V484-I505 PolarHBondContact N-O 3.4Å
506L97.6Very high93.3Very high0 Ų028.7 Ų28.70%013%0.127CC..EExtended strand (participates in β ladder)trans-92.5117.2162171.462.9000108.9P448 C450 F452 V484 H486 L499 T508 L513 L516 F526P448-L506 HydrophobicContact CB-CB 3.75Å; P448-L506 HydrophobicContact CG-CB 3.86Å; P448-L506 HydrophobicContact CG-CD2 4.37Å; C450-L506 PolarHBondContact O-N 3.08Å; F452-L506 PolarHBondContact N-O 3.23Å; V484-L506 HydrophobicContact CG1-CD1 4.32Å; V484-L506 WeakPolarHBondContact O-CA 3.4Å; H486-L506 HydrophobicContact CB-CD1 4.44Å; L499-L506 HydrophobicContact CD1-CD1 4.36Å; L499-L506 HydrophobicContact CD1-CD2 4.03Å; L499-L506 HydrophobicContact CD2-CD1 4.47Å; L506-T508 HydrophobicContact CG-CG2 4.4Å; L506-L513 HydrophobicContact CD2-CD1 4.39Å; L506-L516 HydrophobicContact CD1-CD1 4.42Å; L506-L516 HydrophobicContact CD2-CD1 3.96Å; L506-F526 HydrophobicContact CD2-CE1 3.85Å; L506-F526 HydrophobicContact CD2-CZ 3.9Å
507L98.3Very high93.2Very high0 Ų028 Ų280%012%0.122CC..EExtended strand (participates in β ladder)trans-114.8121.2179.3166.867.7000111F452 I463 E464 M467 V484 T485 H486 W487F452-L507 HydrophobicContact CB-CB 4.35Å; F452-L507 HydrophobicContact CB-CD1 3.94Å; F452-L507 HydrophobicContact CD1-CD1 3.54Å; F452-L507 HydrophobicContact CE1-CD1 4.38Å; F452-L507 HydrophobicContact CG-CD1 3.99Å; F452-L507 WeakPolarHBondContact O-CA 3.33Å; I463-L507 HydrophobicContact CB-CD2 4.47Å; I463-L507 HydrophobicContact CG2-CD1 4.47Å; I463-L507 HydrophobicContact CG2-CD2 4.29Å; E464-L507 HydrophobicContact CB-CD2 3.91Å; M467-L507 HydrophobicContact SD-CD2 3.95Å; V484-L507 PolarHBondContact O-N 3.45Å; T485-L507 WeakPolarHBondContact CA-O 3.39Å; T485-L507 HydrophobicContact CG2-CB 4.07Å; T485-L507 HydrophobicContact CG2-CD2 3.95Å; T485-L507 HydrophobicContact CG2-CG 4.2Å; H486-L507 PolarHBondContact N-O 3.27Å; W487-L507 HydrophobicContact CH2-CD1 4.15Å; W487-L507 HydrophobicContact CH2-CG 4.01Å; W487-L507 HydrophobicContact CZ2-CD1 4.37Å; W487-L507 HydrophobicContact CZ2-CD2 4.18Å; W487-L507 HydrophobicContact CZ2-CG 3.77Å
508T97.4Very high92.8Very high0 Ų026 Ų260%012%0.122CC..EExtended strand (participates in β ladder)trans-160.1-172.6-169.1-165.70000113.8F452 V453 C454 H486 W487 L506 L512 L513F452-T508 PolarHBondContact O-N 3.09Å; V453-T508 WeakPolarHBondContact CA-O 3.41Å; C454-T508 PolarHBondContact N-O 2.83Å; H486-T508 WeakPolarHBondContact O-CB 3.25Å; H486-T508 PolarHBondContact O-OG1 2.76Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; L506-T508 HydrophobicContact CG-CG2 4.4Å; T508-L512 VanDerWaalsContact OG1-CB 3.26Å; T508-L512 WeakPolarHBondContact OG1-CB 3.09Å; T508-L513 HydrophobicContact CG2-CB 3.87Å
509S95.1Very high92.2Very high11 Ų1128.6 Ų28.68%0.07714%0.136CC..  trans-105.2167.7173.161.90000112.5D511 L512 L513S509-D511 WeakPolarHBondContact CB-OD1 3.43Å; S509-D511 PolarHBondContact O-N 3.37Å; S509-D511 PolarHBondContact OG-OD1 3.29Å; S509-L512 PolarHBondContact O-N 2.76Å; S509-L512 WeakPolarHBondContact OG-CD1 3.49Å; S509-L512 VanDerWaalsContact OG-CG 3.29Å; S509-L512 WeakPolarHBondContact OG-CG 3.37Å; S509-L513 WeakPolarHBondContact O-CB 3.47Å; S509-L513 PolarHBondContact O-N 2.73Å
510V93.4Very high91.1Very high2 Ų229.5 Ų29.51%0.01214%0.141CC..Hα-helixtrans-57.5-47.8-176.5171.20000113.3V453 L514 M542 L546 D549 L553V453-V510 HydrophobicContact CG1-CG2 3.76Å; V510-L514 HydrophobicContact CG1-CD1 4.43Å; V510-L514 PolarHBondContact O-N 2.74Å; V510-M542 HydrophobicContact CG2-CB 4.04Å; V510-M542 HydrophobicContact CG2-CG 4.09Å; V510-M542 HydrophobicContact CG2-SD 3.6Å; V510-L546 HydrophobicContact CB-CD1 4.12Å; V510-D549 VanDerWaalsContact CG1-C 3.49Å; V510-D549 HydrophobicContact CG1-CB 4.15Å; V510-D549 WeakPolarHBondContact CG1-O 3.3Å; V510-L553 HydrophobicContact CB-CD2 4.35Å; V510-L553 HydrophobicContact CG1-CB 4.24Å; V510-L553 HydrophobicContact CG1-CD2 4.03Å; V510-L553 HydrophobicContact CG2-CD2 4.13Å
511D89.6Confident89.6Confident34 Ų3428.6 Ų28.618%0.18215%0.149CC..Hα-helixtrans-70.1-37.1-177.362.9-42.2000112.5K489 S509 L514 Q515 L546K489-D511 WeakPolarHBondContact CE-OD2 3.35Å; K489-D511 IonicContact NZ-OD2 2.69Å; K489-D511 PolarHBondContact NZ-OD2 2.73Å; S509-D511 WeakPolarHBondContact CB-OD1 3.43Å; S509-D511 PolarHBondContact O-N 3.37Å; S509-D511 PolarHBondContact OG-OD1 3.29Å; D511-L514 PolarHBondContact O-N 3.39Å; D511-Q515 WeakPolarHBondContact O-CB 3.44Å; D511-Q515 PolarHBondContact O-N 3.33Å; D511-L546 HydrophobicContact CB-CD1 3.8Å
512L93.8Very high88Confident4 Ų428.6 Ų28.62%0.02116%0.159CC..Hα-helixtrans-71.1-40.1176-67.1-178.5000112H486 W487 K489 T508 S509 Q515 L516H486-L512 VanDerWaalsContact O-CD1 3.24Å; H486-L512 WeakPolarHBondContact O-CD1 3.5Å; W487-L512 VanDerWaalsContact C-CD1 3.47Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å; K489-L512 HydrophobicContact CB-CD2 4.5Å; K489-L512 HydrophobicContact CD-CD2 4.19Å; K489-L512 HydrophobicContact CG-CD2 3.38Å; T508-L512 VanDerWaalsContact OG1-CB 3.26Å; T508-L512 WeakPolarHBondContact OG1-CB 3.09Å; S509-L512 PolarHBondContact O-N 2.76Å; S509-L512 WeakPolarHBondContact OG-CD1 3.49Å; S509-L512 VanDerWaalsContact OG-CG 3.29Å; S509-L512 WeakPolarHBondContact OG-CG 3.37Å; L512-Q515 WeakPolarHBondContact O-CB 3.45Å; L512-Q515 PolarHBondContact O-N 2.86Å; L512-L516 PolarHBondContact O-N 3.46Å
513L94.8Very high86.6Confident1 Ų129.6 Ų29.61%0.00517%0.17CC..Hα-helixtrans-61.5-47.3170.5-178.957000110.8I451 V453 L506 T508 S509 Q515 L516 L517 F526 L553I451-L513 HydrophobicContact CG2-CD1 4.03Å; I451-L513 HydrophobicContact CG2-CD2 3.74Å; V453-L513 HydrophobicContact CG2-CD2 3.58Å; L506-L513 HydrophobicContact CD2-CD1 4.39Å; T508-L513 HydrophobicContact CG2-CB 3.87Å; S509-L513 WeakPolarHBondContact O-CB 3.47Å; S509-L513 PolarHBondContact O-N 2.73Å; L513-Q515 VanDerWaalsContact C-N 3.27Å; L513-Q515 PolarHBondContact O-N 3.46Å; L513-L516 WeakPolarHBondContact O-CB 3.45Å; L513-L516 PolarHBondContact O-N 3.41Å; L513-L516 VanDerWaalsContact O-N 3.12Å; L513-L517 HydrophobicContact CD1-CD1 4.27Å; L513-L517 HydrophobicContact CD1-CD2 4.28Å; L513-L517 HydrophobicContact CD1-CG 4.06Å; L513-L517 HydrophobicContact CG-CD1 3.95Å; L513-L517 HydrophobicContact CG-CG 4.21Å; L513-L517 VanDerWaalsContact O-CG 3.29Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.01Å; L513-F526 HydrophobicContact CD1-CE1 4.45Å; L513-F526 HydrophobicContact CD1-CZ 3.97Å; L513-L553 HydrophobicContact CD2-CD1 3.71Å; L513-L553 HydrophobicContact CD2-CD2 4.06Å; L513-L553 HydrophobicContact CG-CD1 4.12Å
514L91.3Very high85.7Confident11 Ų1131.8 Ų31.86%0.05819%0.185CC..Hα-helixtrans-60.5-35.9175.6-82171.6000112.8V510 D511 L517 N518 D549 K552 L553 R556V510-L514 HydrophobicContact CG1-CD1 4.43Å; V510-L514 PolarHBondContact O-N 2.74Å; D511-L514 PolarHBondContact O-N 3.39Å; L514-L517 PolarHBondContact O-N 2.88Å; L514-N518 WeakPolarHBondContact O-CB 3.49Å; L514-N518 VanDerWaalsContact O-CG 3.24Å; L514-N518 PolarHBondContact O-N 3.38Å; L514-N518 PolarHBondContact O-ND2 2.92Å; L514-D549 HydrophobicContact CD1-CB 3.83Å; L514-D549 WeakPolarHBondContact CD1-O 3.44Å; L514-K552 HydrophobicContact CD1-CB 4.08Å; L514-K552 HydrophobicContact CD2-CB 4.45Å; L514-L553 HydrophobicContact CD1-CB 4.31Å; L514-L553 HydrophobicContact CD2-CB 4.35Å; L514-L553 HydrophobicContact CD2-CD1 4.47Å; L514-L553 HydrophobicContact CG-CB 4.24Å; L514-R556 HydrophobicContact CD2-CG 4.37Å
515Q90.1Very high85.4Confident46 Ų4631.8 Ų31.822%0.21519%0.185CC..Hα-helixtrans-61.2-47.3173.3-169.8171.7-9.400110.8L492 D511 L512 L513 N518 H519L492-Q515 HydrophobicContact CD1-CG 4.01Å; L492-Q515 HydrophobicContact CD2-CG 4.38Å; D511-Q515 WeakPolarHBondContact O-CB 3.44Å; D511-Q515 PolarHBondContact O-N 3.33Å; L512-Q515 WeakPolarHBondContact O-CB 3.45Å; L512-Q515 PolarHBondContact O-N 2.86Å; L513-Q515 VanDerWaalsContact C-N 3.27Å; L513-Q515 PolarHBondContact O-N 3.46Å; Q515-N518 PolarHBondContact O-N 3.39Å; Q515-H519 WeakPolarHBondContact O-CB 3.41Å; Q515-H519 PolarHBondContact O-CD2 2.97Å; Q515-H519 PolarHBondContact O-N 3.43Å
516L91.9Very high84.9Confident0 Ų032.1 Ų32.10%019%0.186CC..Hα-helixtrans-60.7-45.6174.3-70.4170000112.7L492 I495 V496 L499 L506 L512 L513 N518 H519 N520 I525 F526L492-L516 HydrophobicContact CD1-CD2 3.71Å; L492-L516 HydrophobicContact CD1-CG 4.33Å; I495-L516 HydrophobicContact CG2-CD1 4.08Å; I495-L516 HydrophobicContact CG2-CD2 4Å; V496-L516 HydrophobicContact CG2-CD2 3.87Å; L499-L516 HydrophobicContact CD1-CD1 4.08Å; L499-L516 HydrophobicContact CD1-CD2 4.3Å; L506-L516 HydrophobicContact CD1-CD1 4.42Å; L506-L516 HydrophobicContact CD2-CD1 3.96Å; L512-L516 PolarHBondContact O-N 3.46Å; L513-L516 WeakPolarHBondContact O-CB 3.45Å; L513-L516 PolarHBondContact O-N 3.41Å; L513-L516 VanDerWaalsContact O-N 3.12Å; L516-N518 PolarHBondContact O-N 2.92Å; L516-H519 CarbonylContact O-C 3.53Å; L516-H519 PolarHBondContact O-N 2.92Å; L516-N520 PolarHBondContact O-N 2.85Å; L516-I525 HydrophobicContact CB-CD1 4.32Å; L516-I525 HydrophobicContact CD2-CD1 4.18Å; L516-F526 HydrophobicContact CB-CE2 3.96Å; L516-F526 HydrophobicContact CB-CZ 4.11Å
517L88Confident84.5Confident15 Ų1534.1 Ų34.18%0.07920%0.197CC..Hα-helixtrans-64.2-38.4180-62.1173.1000111.9L513 L514 H519 N520 F526 L553 M560L513-L517 HydrophobicContact CD1-CD1 4.27Å; L513-L517 HydrophobicContact CD1-CD2 4.28Å; L513-L517 HydrophobicContact CD1-CG 4.06Å; L513-L517 HydrophobicContact CG-CD1 3.95Å; L513-L517 HydrophobicContact CG-CG 4.21Å; L513-L517 VanDerWaalsContact O-CG 3.29Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.01Å; L514-L517 PolarHBondContact O-N 2.88Å; L517-H519 VanDerWaalsContact C-N 3.34Å; L517-N520 WeakPolarHBondContact O-CB 3.46Å; L517-N520 PolarHBondContact O-N 2.94Å; L517-F526 HydrophobicContact CD2-CD2 3.77Å; L517-F526 HydrophobicContact CD2-CE2 3.59Å; L517-F526 HydrophobicContact CD2-CG 4.33Å; L517-F526 HydrophobicContact CD2-CZ 4.01Å; L517-F526 HydrophobicContact CG-CE2 4.38Å; L517-L553 HydrophobicContact CD1-CD1 3.83Å; L517-M560 HydrophobicContact CB-SD 4.34Å; L517-M560 HydrophobicContact CD1-SD 4.45Å; L517-M560 HydrophobicContact CD2-CE 3.61Å; L517-M560 HydrophobicContact CD2-SD 3.74Å; L517-M560 HydrophobicContact CG-SD 4.38Å
518N84.4Confident83.9Confident104 Ų10436.2 Ų36.256%0.55621%0.214SC*.Hα-helixtrans-71.4-26.2175.4-70.5-42.5000113L514 Q515 L516 N520L514-N518 WeakPolarHBondContact O-CB 3.49Å; L514-N518 VanDerWaalsContact O-CG 3.24Å; L514-N518 PolarHBondContact O-N 3.38Å; L514-N518 PolarHBondContact O-ND2 2.92Å; Q515-N518 PolarHBondContact O-N 3.39Å; L516-N518 PolarHBondContact O-N 2.92Å; N518-N520 VanDerWaalsContact C-N 3.29Å; N518-N520 PolarHBondContact O-N 2.82Å
519H78.4Confident83.4Confident106 Ų10640.3 Ų40.349%0.49123%0.233SC..THydrogen-bonded Turntrans-88.318.7174.9-80.2-75.4000113.9Q515 L516 L517 P521Q515-H519 WeakPolarHBondContact O-CB 3.41Å; Q515-H519 PolarHBondContact O-CD2 2.97Å; Q515-H519 PolarHBondContact O-N 3.43Å; L516-H519 CarbonylContact O-C 3.53Å; L516-H519 PolarHBondContact O-N 2.92Å; L517-H519 VanDerWaalsContact C-N 3.34Å; H519-P521 VanDerWaalsContact C-CD 3.47Å; H519-P521 WeakPolarHBondContact O-CD 3.17Å
520N71.2Confident83.2Confident19 Ų1940.2 Ų40.210%0.10223%0.233CC..  trans-112.869.7-175.8-175.743.6000112.5L516 L517 N518 V522 G523 S524 I525 F526L516-N520 PolarHBondContact O-N 2.85Å; L517-N520 WeakPolarHBondContact O-CB 3.46Å; L517-N520 PolarHBondContact O-N 2.94Å; N518-N520 VanDerWaalsContact C-N 3.29Å; N518-N520 PolarHBondContact O-N 2.82Å; N520-V522 PolarHBondContact O-N 2.96Å; N520-G523 VanDerWaalsContact OD1-C 3.28Å; N520-G523 WeakPolarHBondContact OD1-CA 3.45Å; N520-S524 PolarHBondContact OD1-N 2.63Å; N520-S524 PolarHBondContact OD1-OG 2.9Å; N520-I525 HydrophobicContact CB-CD1 4.29Å; N520-I525 HydrophobicContact CB-CG1 3.94Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.27Å; N520-I525 PolarHBondContact OD1-N 3.28Å; N520-I525 VanDerWaalsContact OD1-N 3.09Å; N520-F526 HydrophobicContact CB-CD2 4.41Å
521P58.3Low83.2Confident112 Ų11240.1 Ų40.173%0.72723%0.233SC*.THydrogen-bonded Turntrans-63.8-30.6-165.224.4-35.4000115.4H519H519-P521 VanDerWaalsContact C-CD 3.47Å; H519-P521 WeakPolarHBondContact O-CD 3.17Å
522V56.3Low83.4Confident132 Ų13242.3 Ų42.380%0.824%0.241SC*.THydrogen-bonded Turntrans-143.252.2177.6-161.50000111.1N520 S524N520-V522 PolarHBondContact O-N 2.96Å; V522-S524 PolarHBondContact O-N 3.49Å; V522-S524 VanDerWaalsContact O-N 3.1Å
523G63.4Low83.4Confident22 Ų2242.5 Ų42.523%0.22724%0.243CC..SBendtrans58.731.2175.700000114R446 N520 F526R446-G523 VanDerWaalsContact CZ-O 3.31Å; R446-G523 PolarHBondContact NE-O 2.79Å; R446-G523 PolarHBondContact NH2-O 2.77Å; N520-G523 VanDerWaalsContact OD1-C 3.28Å; N520-G523 WeakPolarHBondContact OD1-CA 3.45Å; G523-F526 CarbonylContact C-O 3.56Å
524S76Confident83.5Confident47 Ų4742.5 Ų42.533%0.32924%0.242SC..SBendtrans-79.3-19.9-171.550.20000114.6N520 V522N520-S524 PolarHBondContact OD1-N 2.63Å; N520-S524 PolarHBondContact OD1-OG 2.9Å; V522-S524 PolarHBondContact O-N 3.49Å; V522-S524 VanDerWaalsContact O-N 3.1Å
525I86.8Confident83.9Confident1 Ų142 Ų421%0.00524%0.24CC..SBendtrans-126-5.4176.854.7164.1000113.8G447 V496 L499 K500 L516 N520G447-I525 WeakPolarHBondContact CA-O 3.48Å; V496-I525 HydrophobicContact CG1-CG2 4.1Å; V496-I525 HydrophobicContact CG2-CD1 4.27Å; L499-I525 HydrophobicContact CB-CB 4Å; L499-I525 HydrophobicContact CB-CG2 4.16Å; K500-I525 HydrophobicContact CG-CG2 4.3Å; L516-I525 HydrophobicContact CB-CD1 4.32Å; L516-I525 HydrophobicContact CD2-CD1 4.18Å; N520-I525 HydrophobicContact CB-CD1 4.29Å; N520-I525 HydrophobicContact CB-CG1 3.94Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.27Å; N520-I525 PolarHBondContact OD1-N 3.28Å; N520-I525 VanDerWaalsContact OD1-N 3.09Å
526F87.4Confident84.2Confident7 Ų739.8 Ų39.83%0.03123%0.23CC..  trans-131.1121.7172.3-66.5-76.4000109.4P448 I451 L506 L513 L516 L517 N520 G523P448-F526 HydrophobicContact CG-CD1 4.16Å; P448-F526 HydrophobicContact CG-CE1 4Å; I451-F526 HydrophobicContact CD1-CD1 3.94Å; I451-F526 HydrophobicContact CD1-CE1 3.7Å; I451-F526 HydrophobicContact CG1-CE1 4.31Å; L506-F526 HydrophobicContact CD2-CE1 3.85Å; L506-F526 HydrophobicContact CD2-CZ 3.9Å; L513-F526 HydrophobicContact CD1-CE1 4.45Å; L513-F526 HydrophobicContact CD1-CZ 3.97Å; L516-F526 HydrophobicContact CB-CE2 3.96Å; L516-F526 HydrophobicContact CB-CZ 4.11Å; L517-F526 HydrophobicContact CD2-CD2 3.77Å; L517-F526 HydrophobicContact CD2-CE2 3.59Å; L517-F526 HydrophobicContact CD2-CG 4.33Å; L517-F526 HydrophobicContact CD2-CZ 4.01Å; L517-F526 HydrophobicContact CG-CE2 4.38Å; N520-F526 HydrophobicContact CB-CD2 4.41Å; G523-F526 CarbonylContact C-O 3.56Å
527D87.9Confident84.4Confident43 Ų4339.9 Ų39.923%0.2323%0.23CC..  trans-101.7113.1170.1171.10.5000108.5R441 R446 Q529 A530 V531R441-D527 IonicContact NH2-OD2 3.22Å; R446-D527 HydrophobicContact CG-CB 4.31Å; D527-Q529 PolarHBondContact O-N 2.76Å; D527-Q529 PolarHBondContact OD1-N 2.79Å; D527-A530 HydrophobicContact CB-CB 3.75Å; D527-A530 WeakPolarHBondContact O-CB 3.38Å; D527-A530 PolarHBondContact O-N 3.02Å; D527-A530 PolarHBondContact OD1-N 2.92Å; D527-V531 PolarHBondContact O-N 2.76Å; D527-V531 VanDerWaalsContact O-N 3.14Å
528A85.7Confident84.7Confident43 Ų4339.8 Ų39.836%0.35523%0.23SC..THydrogen-bonded Turntrans-65.8-18.2-176.400000114.3M560A528-M560 WeakPolarHBondContact CB-O 3.43Å
529Q87.9Confident85.2Confident86 Ų8634.9 Ų34.940%0.40220%0.203SC..THydrogen-bonded Turntrans-93.1-15.5172.6-62.9-59.8-5900112.3D527 K532D527-Q529 PolarHBondContact O-N 2.76Å; D527-Q529 PolarHBondContact OD1-N 2.79Å; Q529-K532 WeakPolarHBondContact O-CE 3.49Å; Q529-K532 PolarHBondContact O-NZ 3.08Å
530A89.9Confident85.7Confident9 Ų930.1 Ų30.17%0.07418%0.182CC..THydrogen-bonded Turntrans-85-36.3175.400000113.7R441 D527 K532R441-A530 VanDerWaalsContact CZ-CB 3.41Å; D527-A530 HydrophobicContact CB-CB 3.75Å; D527-A530 WeakPolarHBondContact O-CB 3.38Å; D527-A530 PolarHBondContact O-N 3.02Å; D527-A530 PolarHBondContact OD1-N 2.92Å; A530-K532 WeakPolarHBondContact O-CG 3.33Å; A530-K532 PolarHBondContact O-N 2.87Å
531V93.3Very high86.4Confident1 Ų129.3 Ų29.31%0.00618%0.177CC..  trans-67.8106176.2178.90000109.3P448 T449 I451 D527 I534 F561P448-V531 HydrophobicContact CG-CG2 4.43Å; P448-V531 WeakPolarHBondContact O-CG2 3.36Å; T449-V531 CarbonylContact O-C 3.57Å; T449-V531 WeakPolarHBondContact O-CA 3.24Å; I451-V531 HydrophobicContact CD1-CG1 4.2Å; I451-V531 HydrophobicContact CD1-CG2 4.16Å; I451-V531 HydrophobicContact CG1-CG1 4.23Å; I451-V531 HydrophobicContact CG1-CG2 4.38Å; D527-V531 PolarHBondContact O-N 2.76Å; D527-V531 VanDerWaalsContact O-N 3.14Å; V531-I534 HydrophobicContact CG1-CD1 4.23Å; V531-I534 HydrophobicContact CG1-CG1 3.84Å; V531-F561 HydrophobicContact CB-CD1 3.92Å; V531-F561 HydrophobicContact CB-CE1 3.79Å; V531-F561 HydrophobicContact CG1-CD1 4.12Å; V531-F561 HydrophobicContact CG1-CE1 4.09Å; V531-F561 HydrophobicContact CG2-CD1 4.3Å; V531-F561 HydrophobicContact CG2-CE1 3.65Å; V531-F561 HydrophobicContact CG2-CZ 4.37Å
532K94.1Very high87.9Confident80 Ų8024.1 Ų24.135%0.34814%0.143SC..  trans-94.3-17.2179.1-57.9-47.1-169.7-174.70113.4T449 Q529 A530 C568 Q569T449-K532 HydrophobicContact CG2-CB 4.45Å; T449-K532 HydrophobicContact CG2-CG 4.15Å; T449-K532 PolarHBondContact O-N 2.8Å; Q529-K532 WeakPolarHBondContact O-CE 3.49Å; Q529-K532 PolarHBondContact O-NZ 3.08Å; A530-K532 WeakPolarHBondContact O-CG 3.33Å; A530-K532 PolarHBondContact O-N 2.87Å; K532-C568 CarbonylContact O-C 3.55Å; K532-C568 WeakPolarHBondContact O-CA 3.44Å; K532-Q569 PolarHBondContact O-N 2.88Å
533C95.1Very high89.3Confident8 Ų818.7 Ų18.75%0.05411%0.11CC..EExtended strand (participates in β ladder)trans-148.7137.5-173.3178.80000111.4C450 I451 Q569 L571C450-C533 VanDerWaalsContact CA-O 3.3Å; C450-C533 WeakPolarHBondContact CA-O 3.26Å; C450-C533 HydrophobicContact CB-CB 4.09Å; C450-C533 VanDerWaalsContact SG-SG 3.65Å; I451-C533 PolarHBondContact N-O 3.45Å; C533-Q569 CarbonylContact C-O 3.51Å; C533-Q569 WeakPolarHBondContact CA-O 3.49Å; C533-L571 WeakPolarHBondContact SG-CD1 3.42Å
534I97.1Very high90.1Very high0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-125.9128.7167-58.6-176.4000108.4I451 V531 L536 L557 F561 L563 Q569 L570 L571I451-I534 HydrophobicContact CB-CG1 4.31Å; I451-I534 CarbonylContact O-C 3.58Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.34Å; V531-I534 HydrophobicContact CG1-CD1 4.23Å; V531-I534 HydrophobicContact CG1-CG1 3.84Å; I534-L536 HydrophobicContact CG2-CD2 4.26Å; I534-L557 HydrophobicContact CD1-CD2 3.83Å; I534-L557 HydrophobicContact CG2-CD1 4.39Å; I534-F561 HydrophobicContact CD1-CB 4.3Å; I534-F561 HydrophobicContact CD1-CD2 3.5Å; I534-F561 VanDerWaalsContact CD1-CD2 3.5Å; I534-F561 HydrophobicContact CD1-CE2 3.9Å; I534-F561 HydrophobicContact CD1-CG 3.85Å; I534-L563 HydrophobicContact CD1-CD2 4.36Å; I534-Q569 PolarHBondContact N-O 2.92Å; I534-L570 HydrophobicContact CB-CD1 4.08Å; I534-L570 HydrophobicContact CG2-CD1 4.09Å; I534-L570 WeakPolarHBondContact O-CA 3.01Å; I534-L571 PolarHBondContact O-N 3.02Å
535A97.8Very high90Very high0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-118.1127.4179.200000111.1Y426 I451 F452 V453 L571Y426-A535 HydrophobicContact CE2-CB 4.18Å; I451-A535 PolarHBondContact O-N 2.75Å; F452-A535 HydrophobicContact CD1-CB 4.4Å; F452-A535 HydrophobicContact CD2-CB 3.55Å; F452-A535 HydrophobicContact CE2-CB 3.74Å; F452-A535 HydrophobicContact CG-CB 3.92Å; F452-A535 HydrophobicContact CZ-CB 4.24Å; V453-A535 PolarHBondContact N-O 2.77Å; A535-L571 CarbonylContact C-O 3.56Å; A535-L571 WeakPolarHBondContact CA-O 3.46Å; A535-L571 HydrophobicContact CB-CB 4.21Å; A535-L571 HydrophobicContact CB-CD1 4.39Å
536L97.6Very high89.5Confident1 Ų127.5 Ų27.51%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-116.386.4177.1-54.6-179.4000108.9V453 I534 L539 M542 L554 L557 L570 L571 V572 S573V453-L536 HydrophobicContact CB-CD2 3.86Å; V453-L536 HydrophobicContact CG2-CD2 3.86Å; I534-L536 HydrophobicContact CG2-CD2 4.26Å; L536-L539 HydrophobicContact CD1-CD1 4.46Å; L536-M542 HydrophobicContact CB-CE 4.01Å; L536-L554 HydrophobicContact CD1-CD2 3.77Å; L536-L557 HydrophobicContact CD1-CD1 4.39Å; L536-L570 HydrophobicContact CD1-CD1 4.28Å; L536-L570 HydrophobicContact CG-CD1 4.32Å; L536-L571 PolarHBondContact N-O 2.83Å; L536-V572 HydrophobicContact CB-CG2 4.44Å; L536-V572 HydrophobicContact CD1-CG2 4.4Å; L536-S573 PolarHBondContact O-N 3.31Å
537D96.4Very high89.1Confident2 Ų228.9 Ų28.91%0.01115%0.149CC..THydrogen-bonded Turntrans-83.7130.8-177.3-163.817.9000112.2T423 Y426 F452 V453 P455 M542 S573T423-D537 WeakPolarHBondContact CB-OD2 3.36Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.23Å; T423-D537 PolarHBondContact OG1-OD2 3.41Å; Y426-D537 WeakPolarHBondContact OH-CB 3.38Å; Y426-D537 VanDerWaalsContact OH-CG 3.31Å; Y426-D537 PolarHBondContact OH-OD1 3.18Å; F452-D537 HydrophobicContact CE1-CB 3.74Å; F452-D537 HydrophobicContact CZ-CB 4.06Å; V453-D537 PolarHBondContact O-N 3.38Å; P455-D537 WeakPolarHBondContact CD-O 3.33Å; D537-M542 WeakPolarHBondContact O-CE 3.47Å; D537-S573 WeakPolarHBondContact OD1-CB 3.44Å; D537-S573 PolarHBondContact OD1-OG 3.39Å
538N93.1Very high88.6Confident13 Ų1330.1 Ų30.17%0.0716%0.156CC..THydrogen-bonded Turntrans5353-173.5-58.3-58.2000113.8P455 Q459 N540 D541 M542 S573P455-N538 HydrophobicContact CG-CB 3.9Å; Q459-N538 PolarHBondContact OE1-ND2 2.95Å; N538-N540 PolarHBondContact O-N 3.27Å; N538-N540 VanDerWaalsContact O-N 3.09Å; N538-D541 HydrophobicContact CB-CB 4.17Å; N538-D541 WeakPolarHBondContact O-CA 3.34Å; N538-D541 WeakPolarHBondContact O-CB 3.41Å; N538-D541 PolarHBondContact O-N 3.38Å; N538-M542 PolarHBondContact O-N 3.23Å; N538-S573 CarbonylContact C-O 3.59Å; N538-S573 WeakPolarHBondContact CA-O 3.33Å; N538-S573 PolarHBondContact N-O 2.82Å; N538-S573 PolarHBondContact N-OG 3.15Å
539L94.5Very high88.5Confident0 Ų030.3 Ų30.30%015%0.151CC..Hα-helixtrans-48.7-37.4178.818065.9000113.9L536 D541 M542 V543 T550 V572 S573 L581 M582 I586L536-L539 HydrophobicContact CD1-CD1 4.46Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 2.68Å; L539-M542 HydrophobicContact CD1-SD 4.16Å; L539-M542 WeakPolarHBondContact O-CB 3.41Å; L539-M542 PolarHBondContact O-N 3.2Å; L539-M542 VanDerWaalsContact O-N 3.12Å; L539-V543 HydrophobicContact CD1-CG2 4.33Å; L539-V543 HydrophobicContact CG-CG2 4.47Å; L539-V543 PolarHBondContact O-N 2.85Å; L539-T550 HydrophobicContact CD1-CG2 3.85Å; L539-V572 HydrophobicContact CB-CG1 4.12Å; L539-V572 HydrophobicContact CD2-CG1 3.83Å; L539-S573 PolarHBondContact N-O 2.75Å; L539-L581 HydrophobicContact CD2-CD2 4.01Å; L539-L581 HydrophobicContact CD2-CG 4.37Å; L539-L581 HydrophobicContact CG-CD2 4.22Å; L539-M582 HydrophobicContact CD2-CE 4.34Å; L539-M582 HydrophobicContact CD2-SD 4.46Å; L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.7Å
540N89.8Confident88.6Confident7 Ų726.3 Ų26.34%0.03713%0.132CC..Hα-helixtrans-62.2-34.9175.5-55.894.5000113.1N538 R544 G574 R575 I576 H578N538-N540 PolarHBondContact O-N 3.27Å; N538-N540 VanDerWaalsContact O-N 3.09Å; N540-R544 WeakPolarHBondContact O-CB 3.38Å; N540-R544 PolarHBondContact O-N 3.11Å; N540-R544 VanDerWaalsContact O-N 3.07Å; N540-G574 WeakPolarHBondContact OD1-CA 3.29Å; N540-R575 PolarHBondContact OD1-N 2.85Å; N540-I576 PolarHBondContact ND2-O 3.39Å; N540-I576 PolarHBondContact OD1-N 3.36Å; N540-I576 PolarHBondContact OD1-O 2.86Å; N540-H578 PolarHBondContact ND2-CD2 3.38Å; N540-H578 PolarHBondContact ND2-NE2 3.31Å
541D86.9Confident88.6Confident1 Ų128 Ų281%0.00514%0.139CC..Hα-helixtrans-71.6-34.5174.8-71.2-38.9000110.5P455 N538 L539 R544 V545 R575P455-D541 HydrophobicContact CB-CB 3.71Å; P455-D541 HydrophobicContact CG-CB 3.47Å; P455-D541 VanDerWaalsContact CG-CB 3.47Å; N538-D541 HydrophobicContact CB-CB 4.17Å; N538-D541 WeakPolarHBondContact O-CA 3.34Å; N538-D541 WeakPolarHBondContact O-CB 3.41Å; N538-D541 PolarHBondContact O-N 3.38Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 2.68Å; D541-R544 PolarHBondContact O-N 2.69Å; D541-R544 IonicContact OD1-CZ 2.99Å; D541-R544 IonicContact OD1-NH1 3.73Å; D541-R544 PolarHBondContact OD1-NH1 2.84Å; D541-R544 IonicContact OD1-NH2 2.75Å; D541-R544 PolarHBondContact OD1-NH2 3.17Å; D541-V545 VanDerWaalsContact O-CG2 3.29Å; D541-V545 WeakPolarHBondContact O-CG2 3.37Å; D541-V545 PolarHBondContact O-N 2.7Å; D541-V545 VanDerWaalsContact O-N 3.16Å; D541-R575 IonicContact OD1-CZ 3.51Å; D541-R575 IonicContact OD1-NE 2.72Å; D541-R575 IonicContact OD1-NH2 3.52Å; D541-R575 PolarHBondContact OD1-NH2 3.08Å; D541-R575 IonicContact OD2-CZ 3.41Å; D541-R575 VanDerWaalsContact OD2-CZ 3.27Å; D541-R575 IonicContact OD2-NE 2.69Å; D541-R575 PolarHBondContact OD2-NE 2.99Å; D541-R575 IonicContact OD2-NH2 3.8Å; D541-R575 PolarHBondContact OD2-NH2 2.85Å
542M89.3Confident88.4Confident3 Ų332.9 Ų32.92%0.01516%0.16CC..Hα-helixtrans-62.5-52.1172.2-54.3-175.6-163.700111.5V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550V453-M542 HydrophobicContact CB-CE 4.05Å; V453-M542 HydrophobicContact CG1-CE 3.95Å; V453-M542 HydrophobicContact CG1-SD 3.96Å; V453-M542 WeakPolarHBondContact O-CE 3.37Å; P455-M542 HydrophobicContact CB-CG 4.26Å; P455-M542 HydrophobicContact CG-CG 4.07Å; V510-M542 HydrophobicContact CG2-CB 4.04Å; V510-M542 HydrophobicContact CG2-CG 4.09Å; V510-M542 HydrophobicContact CG2-SD 3.6Å; L536-M542 HydrophobicContact CB-CE 4.01Å; D537-M542 WeakPolarHBondContact O-CE 3.47Å; N538-M542 PolarHBondContact O-N 3.23Å; L539-M542 HydrophobicContact CD1-SD 4.16Å; L539-M542 WeakPolarHBondContact O-CB 3.41Å; L539-M542 PolarHBondContact O-N 3.2Å; L539-M542 VanDerWaalsContact O-N 3.12Å; M542-R544 PolarHBondContact O-N 3.11Å; M542-V545 PolarHBondContact O-N 3.28Å; M542-V545 VanDerWaalsContact O-N 3.09Å; M542-L546 CarbonylContact O-C 3.49Å; M542-L546 PolarHBondContact O-N 3.19Å; M542-T550 HydrophobicContact CB-CG2 4.14Å; M542-T550 PolarHBondContact O-OG1 3.27Å
543V85.8Confident88.3Confident19 Ų1929.1 Ų29.112%0.11514%0.144CC..Hα-helixtrans-63.7-28.2-179.8175.30000112L539 P547 T550 L581L539-V543 HydrophobicContact CD1-CG2 4.33Å; L539-V543 HydrophobicContact CG-CG2 4.47Å; L539-V543 PolarHBondContact O-N 2.85Å; V543-P547 VanDerWaalsContact O-CA 3.29Å; V543-P547 WeakPolarHBondContact O-CA 3.32Å; V543-P547 VanDerWaalsContact O-CB 3.3Å; V543-P547 WeakPolarHBondContact O-CB 3.35Å; V543-P547 WeakPolarHBondContact O-CD 3.35Å; V543-T550 HydrophobicContact CG2-CG2 3.63Å; V543-L581 HydrophobicContact CG2-CD1 4.21Å; V543-L581 HydrophobicContact CG2-CD2 3.86Å
544R78.5Confident88.2Confident147 Ų14729 Ų2956%0.55514%0.143SC*.Hα-helixtrans-72.4-36.1173-173-178.164.8-107.4-7.9113.2N540 D541 M542N540-R544 WeakPolarHBondContact O-CB 3.38Å; N540-R544 PolarHBondContact O-N 3.11Å; N540-R544 VanDerWaalsContact O-N 3.07Å; D541-R544 PolarHBondContact O-N 2.69Å; D541-R544 IonicContact OD1-CZ 2.99Å; D541-R544 IonicContact OD1-NH1 3.73Å; D541-R544 PolarHBondContact OD1-NH1 2.84Å; D541-R544 IonicContact OD1-NH2 2.75Å; D541-R544 PolarHBondContact OD1-NH2 3.17Å; M542-R544 PolarHBondContact O-N 3.11Å
545V74.6Confident87.9Confident66 Ų6634.4 Ų34.440%0.417%0.168SC..Hα-helixtrans-93.5-30.7-172.6178.30000112.3D541 M542D541-V545 VanDerWaalsContact O-CG2 3.29Å; D541-V545 WeakPolarHBondContact O-CG2 3.37Å; D541-V545 PolarHBondContact O-N 2.7Å; D541-V545 VanDerWaalsContact O-N 3.16Å; M542-V545 PolarHBondContact O-N 3.28Å; M542-V545 VanDerWaalsContact O-N 3.09Å
546L77.5Confident87.6Confident41 Ų4139.4 Ų39.422%0.21519%0.187CC..SBendtrans-142.865.5-178.6-70.4173.2000110.3V510 D511 M542 D549 T550V510-L546 HydrophobicContact CB-CD1 4.12Å; D511-L546 HydrophobicContact CB-CD1 3.8Å; M542-L546 CarbonylContact O-C 3.49Å; M542-L546 PolarHBondContact O-N 3.19Å; L546-D549 HydrophobicContact CB-CB 4.39Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.4Å; L546-T550 PolarHBondContact O-N 2.93Å; L546-T550 PolarHBondContact O-OG1 2.82Å
547P78.3Confident87.2Confident36 Ų3639.4 Ų39.423%0.23419%0.187CC..Hα-helixtrans-56.8-57.2-17519.1-30.5000112.4V543 D549 T550 M551 D967V543-P547 VanDerWaalsContact O-CA 3.29Å; V543-P547 WeakPolarHBondContact O-CA 3.32Å; V543-P547 VanDerWaalsContact O-CB 3.3Å; V543-P547 WeakPolarHBondContact O-CB 3.35Å; V543-P547 WeakPolarHBondContact O-CD 3.35Å; P547-D549 VanDerWaalsContact C-N 3.34Å; P547-D549 PolarHBondContact O-N 2.93Å; P547-T550 PolarHBondContact O-N 3.09Å; P547-M551 WeakPolarHBondContact O-CG 3.16Å; P547-M551 PolarHBondContact O-N 3.12Å; P547-D967 WeakPolarHBondContact CD-OD2 3.29Å
548N77.9Confident86.9Confident70 Ų7042.4 Ų42.437%0.37421%0.207SC..Hα-helixtrans-61.8-39.9-175.8-68.8-48.3000112.8K552N548-K552 WeakPolarHBondContact O-CG 3.19Å; N548-K552 PolarHBondContact O-N 3.08Å; N548-K552 VanDerWaalsContact O-N 3.09Å
549D83.9Confident86.7Confident47 Ų4747.5 Ų47.525%0.25123%0.23SC..Hα-helixtrans-78.5-30.8-179.4-69.8-18.4000111.7V510 L514 L546 P547 K552 L553V510-D549 VanDerWaalsContact CG1-C 3.49Å; V510-D549 HydrophobicContact CG1-CB 4.15Å; V510-D549 WeakPolarHBondContact CG1-O 3.3Å; L514-D549 HydrophobicContact CD1-CB 3.83Å; L514-D549 WeakPolarHBondContact CD1-O 3.44Å; L546-D549 HydrophobicContact CB-CB 4.39Å; P547-D549 VanDerWaalsContact C-N 3.34Å; P547-D549 PolarHBondContact O-N 2.93Å; D549-K552 PolarHBondContact O-N 3.25Å; D549-K552 WeakPolarHBondContact OD1-CE 3.44Å; D549-K552 IonicContact OD1-NZ 2.63Å; D549-K552 PolarHBondContact OD1-NZ 3.38Å; D549-L553 WeakPolarHBondContact O-CB 3.35Å; D549-L553 PolarHBondContact O-N 2.84Å
550T89.9Confident86.3Confident1 Ų149.8 Ų49.81%0.00624%0.241CC..Hα-helixtrans-65-41.1170.3-51.90000110.7L539 M542 V543 L546 P547 L553 L554L539-T550 HydrophobicContact CD1-CG2 3.85Å; M542-T550 HydrophobicContact CB-CG2 4.14Å; M542-T550 PolarHBondContact O-OG1 3.27Å; V543-T550 HydrophobicContact CG2-CG2 3.63Å; L546-T550 VanDerWaalsContact O-CB 3.28Å; L546-T550 WeakPolarHBondContact O-CB 3.4Å; L546-T550 PolarHBondContact O-N 2.93Å; L546-T550 PolarHBondContact O-OG1 2.82Å; P547-T550 PolarHBondContact O-N 3.09Å; T550-L553 PolarHBondContact O-N 3.09Å; T550-L554 HydrophobicContact CG2-CD1 4.5Å; T550-L554 WeakPolarHBondContact O-CG 3.3Å; T550-L554 PolarHBondContact O-N 3.37Å
551M88.5Confident86.3Confident46 Ų4649.8 Ų49.823%0.22724%0.241CC..Hα-helixtrans-64.1-43.8176.1-65.4-42.9-5700112.6P547 L553 L554 Q555 L581 H585P547-M551 WeakPolarHBondContact O-CG 3.16Å; P547-M551 PolarHBondContact O-N 3.12Å; M551-L553 VanDerWaalsContact C-N 3.32Å; M551-L553 PolarHBondContact O-N 2.81Å; M551-L554 HydrophobicContact CE-CD1 4.46Å; M551-L554 PolarHBondContact O-N 2.55Å; M551-L554 HydrophobicContact SD-CD1 4.4Å; M551-Q555 WeakPolarHBondContact O-CG 3.46Å; M551-Q555 PolarHBondContact O-N 3.05Å; M551-L581 HydrophobicContact SD-CD1 3.98Å; M551-H585 HydrophobicContact CE-CB 4.22Å; M551-H585 WeakPolarHBondContact CE-CD2 3.43Å; M551-H585 WeakPolarHBondContact CE-NE2 3.45Å
552K89.8Confident86.3Confident102 Ų10254.5 Ų54.544%0.44326%0.263SS..Hα-helixtrans-58.4-43.6172.7-69.6168.1-158.7164.30111.7L514 N548 D549 Q555 R556L514-K552 HydrophobicContact CD1-CB 4.08Å; L514-K552 HydrophobicContact CD2-CB 4.45Å; N548-K552 WeakPolarHBondContact O-CG 3.19Å; N548-K552 PolarHBondContact O-N 3.08Å; N548-K552 VanDerWaalsContact O-N 3.09Å; D549-K552 PolarHBondContact O-N 3.25Å; D549-K552 WeakPolarHBondContact OD1-CE 3.44Å; D549-K552 IonicContact OD1-NZ 2.63Å; D549-K552 PolarHBondContact OD1-NZ 3.38Å; K552-Q555 PolarHBondContact O-N 2.89Å; K552-R556 VanDerWaalsContact O-CG 3.32Å; K552-R556 WeakPolarHBondContact O-CG 3.48Å; K552-R556 PolarHBondContact O-N 3.19Å
553L92.4Very high86.2Confident1 Ų155.1 Ų55.11%0.00527%0.266CS..Hα-helixtrans-60.3-48.7178177.960.9000110.9V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557V510-L553 HydrophobicContact CB-CD2 4.35Å; V510-L553 HydrophobicContact CG1-CB 4.24Å; V510-L553 HydrophobicContact CG1-CD2 4.03Å; V510-L553 HydrophobicContact CG2-CD2 4.13Å; L513-L553 HydrophobicContact CD2-CD1 3.71Å; L513-L553 HydrophobicContact CD2-CD2 4.06Å; L513-L553 HydrophobicContact CG-CD1 4.12Å; L514-L553 HydrophobicContact CD1-CB 4.31Å; L514-L553 HydrophobicContact CD2-CB 4.35Å; L514-L553 HydrophobicContact CD2-CD1 4.47Å; L514-L553 HydrophobicContact CG-CB 4.24Å; L517-L553 HydrophobicContact CD1-CD1 3.83Å; D549-L553 WeakPolarHBondContact O-CB 3.35Å; D549-L553 PolarHBondContact O-N 2.84Å; T550-L553 PolarHBondContact O-N 3.09Å; M551-L553 VanDerWaalsContact C-N 3.32Å; M551-L553 PolarHBondContact O-N 2.81Å; L553-Q555 PolarHBondContact O-N 3.3Å; L553-R556 PolarHBondContact O-N 3.21Å; L553-L557 HydrophobicContact CD1-CD2 4.05Å; L553-L557 HydrophobicContact CD1-CG 4.29Å; L553-L557 HydrophobicContact CG-CG 4.44Å; L553-L557 WeakPolarHBondContact O-CG 3.11Å; L553-L557 PolarHBondContact O-N 2.88Å
554L93.1Very high86Confident6 Ų657.3 Ų57.33%0.03128%0.28CS..Hα-helixtrans-60.7-32.4178.5-67.2178.5000113.2L536 T550 M551 L557 P558 L581 H585 I586L536-L554 HydrophobicContact CD1-CD2 3.77Å; T550-L554 HydrophobicContact CG2-CD1 4.5Å; T550-L554 WeakPolarHBondContact O-CG 3.3Å; T550-L554 PolarHBondContact O-N 3.37Å; M551-L554 HydrophobicContact CE-CD1 4.46Å; M551-L554 PolarHBondContact O-N 2.55Å; M551-L554 HydrophobicContact SD-CD1 4.4Å; L554-L557 HydrophobicContact CD2-CD1 4.38Å; L554-P558 WeakPolarHBondContact O-CD 3.18Å; L554-L581 HydrophobicContact CD1-CD1 3.84Å; L554-H585 HydrophobicContact CD1-CB 4.21Å; L554-I586 HydrophobicContact CD1-CD1 3.77Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.29Å
555Q91.1Very high85.6Confident113 Ų11353 Ų5353%0.52827%0.266SS..Hα-helixtrans-70.6-41.2172.3-70.3168.3-26.200112.3M551 K552 L553 P558M551-Q555 WeakPolarHBondContact O-CG 3.46Å; M551-Q555 PolarHBondContact O-N 3.05Å; K552-Q555 PolarHBondContact O-N 2.89Å; L553-Q555 PolarHBondContact O-N 3.3Å; Q555-P558 VanDerWaalsContact O-CD 3.32Å; Q555-P558 WeakPolarHBondContact O-CD 3.31Å; Q555-P558 WeakPolarHBondContact O-CG 3.48Å
556R90.1Very high85.6Confident105 Ų10556.2 Ų56.240%0.39628%0.281SS..Hα-helixtrans-71.5-29.1179.7-70.8-60.4-149.8166.18.2114.5L514 K552 L553 E559 M560L514-R556 HydrophobicContact CD2-CG 4.37Å; K552-R556 VanDerWaalsContact O-CG 3.32Å; K552-R556 WeakPolarHBondContact O-CG 3.48Å; K552-R556 PolarHBondContact O-N 3.19Å; L553-R556 PolarHBondContact O-N 3.21Å; R556-E559 WeakPolarHBondContact CD-OE2 3.36Å; R556-E559 IonicContact CZ-OE2 3.61Å; R556-E559 IonicContact NE-OE2 3.15Å; R556-E559 IonicContact NH1-OE1 3.31Å; R556-E559 IonicContact NH1-OE2 2.61Å; R556-E559 PolarHBondContact NH1-OE2 3.04Å; R556-E559 WeakPolarHBondContact O-CB 3.42Å; R556-E559 PolarHBondContact O-N 3.23Å; R556-M560 PolarHBondContact O-N 3.27Å
557L90.6Very high86.1Confident1 Ų158.4 Ų58.41%0.00529%0.289CS..Hα-helixtrans-55.5-51.7-178.4-72.2-175.4000113.8I534 L536 L553 L554 E559 M560 F561 L563I534-L557 HydrophobicContact CD1-CD2 3.83Å; I534-L557 HydrophobicContact CG2-CD1 4.39Å; L536-L557 HydrophobicContact CD1-CD1 4.39Å; L553-L557 HydrophobicContact CD1-CD2 4.05Å; L553-L557 HydrophobicContact CD1-CG 4.29Å; L553-L557 HydrophobicContact CG-CG 4.44Å; L553-L557 WeakPolarHBondContact O-CG 3.11Å; L553-L557 PolarHBondContact O-N 2.88Å; L554-L557 HydrophobicContact CD2-CD1 4.38Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 3.01Å; L557-M560 PolarHBondContact O-N 2.94Å; L557-F561 HydrophobicContact CD2-CD2 4.07Å; L557-F561 HydrophobicContact CD2-CE2 4.15Å; L557-F561 WeakPolarHBondContact O-CD2 3.28Å; L557-F561 PolarHBondContact O-N 2.99Å; L557-L563 HydrophobicContact CB-CD1 4.2Å
558P89.9Confident86.7Confident66 Ų6656.8 Ų56.843%0.42928%0.278SS..Hα-helixtrans-69.9-21.517727.3-36.3000114.6L554 Q555 M560 L589L554-P558 WeakPolarHBondContact O-CD 3.18Å; Q555-P558 VanDerWaalsContact O-CD 3.32Å; Q555-P558 WeakPolarHBondContact O-CD 3.31Å; Q555-P558 WeakPolarHBondContact O-CG 3.48Å; P558-M560 PolarHBondContact O-N 3.18Å; P558-L589 HydrophobicContact CB-CD2 3.95Å; P558-L589 HydrophobicContact CG-CD2 3.89Å
559E89.3Confident87.5Confident119 Ų11954 Ų5456%0.55626%0.263SS*.Hα-helixtrans-65.7-30.1171.8-61.4174.4-166.400111.8R556 L557R556-E559 WeakPolarHBondContact CD-OE2 3.36Å; R556-E559 IonicContact CZ-OE2 3.61Å; R556-E559 IonicContact NE-OE2 3.15Å; R556-E559 IonicContact NH1-OE1 3.31Å; R556-E559 IonicContact NH1-OE2 2.61Å; R556-E559 PolarHBondContact NH1-OE2 3.04Å; R556-E559 WeakPolarHBondContact O-CB 3.42Å; R556-E559 PolarHBondContact O-N 3.23Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 3.01Å
560M85.1Confident88Confident48 Ų4851.7 Ų51.724%0.23625%0.251CS..Hα-helixtrans-110.2-23.7-169.5-64.5-172.465.100114.3L517 A528 R556 L557 P558L517-M560 HydrophobicContact CB-SD 4.34Å; L517-M560 HydrophobicContact CD1-SD 4.45Å; L517-M560 HydrophobicContact CD2-CE 3.61Å; L517-M560 HydrophobicContact CD2-SD 3.74Å; L517-M560 HydrophobicContact CG-SD 4.38Å; A528-M560 WeakPolarHBondContact CB-O 3.43Å; R556-M560 PolarHBondContact O-N 3.27Å; L557-M560 PolarHBondContact O-N 2.94Å; P558-M560 PolarHBondContact O-N 3.18Å
561F89.2Confident88.4Confident7 Ų751.7 Ų51.73%0.03125%0.25CS..SBendtrans-134137.1-171.6-54.4-69.6000112.5I451 V531 I534 L557 L563I451-F561 HydrophobicContact CD1-CE1 4.42Å; I451-F561 HydrophobicContact CD1-CE2 4.19Å; I451-F561 HydrophobicContact CD1-CZ 3.74Å; V531-F561 HydrophobicContact CB-CD1 3.92Å; V531-F561 HydrophobicContact CB-CE1 3.79Å; V531-F561 HydrophobicContact CG1-CD1 4.12Å; V531-F561 HydrophobicContact CG1-CE1 4.09Å; V531-F561 HydrophobicContact CG2-CD1 4.3Å; V531-F561 HydrophobicContact CG2-CE1 3.65Å; V531-F561 HydrophobicContact CG2-CZ 4.37Å; I534-F561 HydrophobicContact CD1-CB 4.3Å; I534-F561 HydrophobicContact CD1-CD2 3.5Å; I534-F561 VanDerWaalsContact CD1-CD2 3.5Å; I534-F561 HydrophobicContact CD1-CE2 3.9Å; I534-F561 HydrophobicContact CD1-CG 3.85Å; L557-F561 HydrophobicContact CD2-CD2 4.07Å; L557-F561 HydrophobicContact CD2-CE2 4.15Å; L557-F561 WeakPolarHBondContact O-CD2 3.28Å; L557-F561 PolarHBondContact O-N 2.99Å; F561-L563 HydrophobicContact CB-CD2 4Å; F561-L563 HydrophobicContact CB-CG 4.38Å; F561-L563 PolarHBondContact O-N 2.94Å
562Q88.2Confident88.8Confident101 Ų10149.5 Ų49.547%0.47224%0.24SC..  trans-81.385.6176.9-69.8177.6-12.500110T564 K567 C568Q562-T564 VanDerWaalsContact C-N 3.26Å; Q562-T564 PolarHBondContact O-N 3.38Å; Q562-K567 HydrophobicContact CB-CB 4.04Å; Q562-K567 HydrophobicContact CB-CG 4.28Å; Q562-K567 WeakPolarHBondContact O-CB 3.44Å; Q562-C568 WeakPolarHBondContact O-CB 3.41Å; Q562-C568 PolarHBondContact O-N 2.76Å
563L87.6Confident89.1Confident16 Ų1644.6 Ų44.68%0.08422%0.218CC..  trans-76.170.2-174.8-58.5177.9000112.4I534 L557 F561 C568 L570 L589I534-L563 HydrophobicContact CD1-CD2 4.36Å; L557-L563 HydrophobicContact CB-CD1 4.2Å; F561-L563 HydrophobicContact CB-CD2 4Å; F561-L563 HydrophobicContact CB-CG 4.38Å; F561-L563 PolarHBondContact O-N 2.94Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; L563-L570 HydrophobicContact CD1-CD2 4.42Å; L563-L589 HydrophobicContact CD1-CB 3.87Å; L563-L589 HydrophobicContact CD1-CD1 4.09Å; L563-L589 HydrophobicContact CD1-CD2 4.26Å; L563-L589 HydrophobicContact CD1-CG 4.3Å
564T79.7Confident89.2Confident64 Ų6444.6 Ų44.639%0.39322%0.218SC..SBendtrans-139157.3-179.654.80000111.2Q562 N566 K567 C568 P591Q562-T564 VanDerWaalsContact C-N 3.26Å; Q562-T564 PolarHBondContact O-N 3.38Å; T564-N566 PolarHBondContact O-N 3.07Å; T564-K567 PolarHBondContact O-N 2.93Å; T564-K567 WeakPolarHBondContact OG1-CB 3.06Å; T564-C568 PolarHBondContact N-O 3.06Å; T564-C568 PolarHBondContact O-N 2.99Å; T564-P591 HydrophobicContact CG2-CG 4.39Å
565Q71.4Confident89.1Confident57 Ų5747.9 Ų47.927%0.26623%0.23SC..THydrogen-bonded Turntrans-53.4139.6175.1-177.6-178.1-30.100111K410 K567 D592K410-Q565 VanDerWaalsContact CE-OE1 3.23Å; K410-Q565 HydrophobicContact CG-CG 4.36Å; Q565-K567 PolarHBondContact O-N 3.19Å; Q565-D592 HydrophobicContact CB-CB 4.41Å; Q565-D592 VanDerWaalsContact CB-OD2 3.3Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.46Å
566N75.2Confident89.1Confident134 Ų13443.8 Ų43.872%0.71721%0.212SC*.THydrogen-bonded Turntrans65.80.7-175.3-48.7-27.7000116T564T564-N566 PolarHBondContact O-N 3.07Å
567K86.3Confident89.2Confident87 Ų8738.9 Ų38.938%0.37819%0.193SC..THydrogen-bonded Turntrans-107.6-76.8171.6-73.3-62-160.5174.30111.6Q562 T564 Q565Q562-K567 HydrophobicContact CB-CB 4.04Å; Q562-K567 HydrophobicContact CB-CG 4.28Å; Q562-K567 WeakPolarHBondContact O-CB 3.44Å; T564-K567 PolarHBondContact O-N 2.93Å; T564-K567 WeakPolarHBondContact OG1-CB 3.06Å; Q565-K567 PolarHBondContact O-N 3.19Å
568C91.8Very high89.1Confident2 Ų240.1 Ų40.11%0.01420%0.199CC..  trans-136.6113.1176.4-178.30000110.1K532 Q562 L563 T564K532-C568 CarbonylContact O-C 3.55Å; K532-C568 WeakPolarHBondContact O-CA 3.44Å; Q562-C568 WeakPolarHBondContact O-CB 3.41Å; Q562-C568 PolarHBondContact O-N 2.76Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; T564-C568 PolarHBondContact N-O 3.06Å; T564-C568 PolarHBondContact O-N 2.99Å
569Q93.5Very high89Confident10 Ų1038.3 Ų38.35%0.04719%0.187CC..EExtended strand (participates in β ladder)trans-72.6136.6176.7-171.5175.614.900110.1V406 G409 K410 K532 C533 I534 L571V406-Q569 PolarHBondContact O-NE2 2.95Å; V406-Q569 VanDerWaalsContact O-NE2 3.11Å; G409-Q569 VanDerWaalsContact C-CD 3.42Å; K410-Q569 PolarHBondContact O-NE2 2.94Å; K532-Q569 PolarHBondContact O-N 2.88Å; C533-Q569 CarbonylContact C-O 3.51Å; C533-Q569 WeakPolarHBondContact CA-O 3.49Å; I534-Q569 PolarHBondContact N-O 2.92Å; Q569-L571 HydrophobicContact CG-CD2 3.91Å; Q569-L571 HydrophobicContact CG-CG 4.32Å
570L96.3Very high88.7Confident0 Ų035.3 Ų35.30%017%0.174CC..EExtended strand (participates in β ladder)trans-110.2127.6172.9-176.357.8000109.9S411 V412 I534 L536 L563 V572 L589 M590S411-L570 WeakPolarHBondContact CA-O 3.39Å; S411-L570 WeakPolarHBondContact CB-O 3.22Å; S411-L570 PolarHBondContact OG-N 3.04Å; S411-L570 VanDerWaalsContact OG-N 3.12Å; S411-L570 PolarHBondContact OG-O 2.83Å; V412-L570 PolarHBondContact N-O 3.02Å; I534-L570 HydrophobicContact CB-CD1 4.08Å; I534-L570 HydrophobicContact CG2-CD1 4.09Å; I534-L570 WeakPolarHBondContact O-CA 3.01Å; L536-L570 HydrophobicContact CD1-CD1 4.28Å; L536-L570 HydrophobicContact CG-CD1 4.32Å; L563-L570 HydrophobicContact CD1-CD2 4.42Å; L570-V572 HydrophobicContact CD1-CG2 4.26Å; L570-V572 HydrophobicContact CD2-CG2 4.39Å; L570-V572 HydrophobicContact CG-CG2 3.96Å; L570-L589 HydrophobicContact CD2-CB 3.73Å; L570-L589 HydrophobicContact CD2-CD1 4.32Å; L570-M590 HydrophobicContact CB-CE 4.47Å; L570-M590 HydrophobicContact CB-CG 4.23Å; L570-M590 HydrophobicContact CD2-CG 3.72Å; L570-M590 HydrophobicContact CD2-SD 4.24Å; L570-M590 HydrophobicContact CG-CE 4.34Å; L570-M590 HydrophobicContact CG-CG 4.18Å; L570-M590 HydrophobicContact CG-SD 4.46Å; L570-M590 WeakPolarHBondContact O-CE 3.41Å
571L97.4Very high88.9Confident0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-120.5122.9-178.3-53.5170.9000108.2V406 V412 Y426 V430 C533 I534 A535 L536 Q569V406-L571 HydrophobicContact CG1-CD2 4.06Å; V406-L571 HydrophobicContact CG2-CD2 4.16Å; V412-L571 HydrophobicContact CG1-CD2 3.74Å; Y426-L571 HydrophobicContact CD1-CB 4.47Å; Y426-L571 HydrophobicContact CD2-CB 4.23Å; Y426-L571 HydrophobicContact CD2-CD1 3.75Å; Y426-L571 HydrophobicContact CE2-CB 4.45Å; Y426-L571 HydrophobicContact CG-CB 4.24Å; Y426-L571 HydrophobicContact CG-CD1 3.97Å; V430-L571 HydrophobicContact CG2-CD1 3.31Å; C533-L571 WeakPolarHBondContact SG-CD1 3.42Å; I534-L571 PolarHBondContact O-N 3.02Å; A535-L571 CarbonylContact C-O 3.56Å; A535-L571 WeakPolarHBondContact CA-O 3.46Å; A535-L571 HydrophobicContact CB-CB 4.21Å; A535-L571 HydrophobicContact CB-CD1 4.39Å; L536-L571 PolarHBondContact N-O 2.83Å; Q569-L571 HydrophobicContact CG-CD2 3.91Å; Q569-L571 HydrophobicContact CG-CG 4.32Å
572V97.3Very high89Confident0 Ų033.1 Ų33.10%016%0.164CC..EExtended strand (participates in β ladder)trans-129.9136.4-175.7-173.40000110.1V412 L413 V414 L536 L539 L570 I586 M590V412-V572 PolarHBondContact O-N 3.09Å; L413-V572 CarbonylContact C-O 3.52Å; L413-V572 WeakPolarHBondContact CA-O 3.26Å; L413-V572 HydrophobicContact CD1-CB 3.73Å; L413-V572 HydrophobicContact CD1-CG1 3.6Å; V414-V572 PolarHBondContact N-O 2.87Å; L536-V572 HydrophobicContact CB-CG2 4.44Å; L536-V572 HydrophobicContact CD1-CG2 4.4Å; L539-V572 HydrophobicContact CB-CG1 4.12Å; L539-V572 HydrophobicContact CD2-CG1 3.83Å; L570-V572 HydrophobicContact CD1-CG2 4.26Å; L570-V572 HydrophobicContact CD2-CG2 4.39Å; L570-V572 HydrophobicContact CG-CG2 3.96Å; V572-I586 HydrophobicContact CG1-CG2 4.4Å; V572-I586 HydrophobicContact CG2-CG2 4.03Å; V572-M590 HydrophobicContact CB-CE 4.42Å; V572-M590 HydrophobicContact CG2-CE 3.93Å; V572-M590 HydrophobicContact CG2-SD 4.05Å
573S96.6Very high88.9Confident0 Ų030.1 Ų30.10%015%0.152CC..EExtended strand (participates in β ladder)trans-128.1138.1178146.50000109.8V414 K422 L536 D537 N538 L539V414-S573 CarbonylContact O-C 3.52Å; V414-S573 WeakPolarHBondContact O-CA 3.29Å; K422-S573 WeakPolarHBondContact CB-OG 3.38Å; K422-S573 WeakPolarHBondContact CE-OG 3.3Å; L536-S573 PolarHBondContact O-N 3.31Å; D537-S573 WeakPolarHBondContact OD1-CB 3.44Å; D537-S573 PolarHBondContact OD1-OG 3.39Å; N538-S573 CarbonylContact C-O 3.59Å; N538-S573 WeakPolarHBondContact CA-O 3.33Å; N538-S573 PolarHBondContact N-O 2.82Å; N538-S573 PolarHBondContact N-OG 3.15Å; L539-S573 PolarHBondContact N-O 2.75Å
574G94.5Very high88.8Confident0 Ų035 Ų350%018%0.175CC..EExtended strand (participates in β ladder)trans-144.6162.6-174.100000113.5V414 G416 K422 N540V414-G574 PolarHBondContact O-N 2.66Å; G416-G574 PolarHBondContact N-O 2.96Å; K422-G574 WeakPolarHBondContact CD-O 3.31Å; K422-G574 WeakPolarHBondContact CE-O 3.33Å; K422-G574 PolarHBondContact NZ-O 2.63Å; N540-G574 WeakPolarHBondContact OD1-CA 3.29Å
575R90.8Very high89.3Confident75 Ų7534.9 Ų34.928%0.28317%0.17SC..SBendtrans-98.8-32.1170.6-57-169-161.2-163.18.1112.9G416 N540 D541G416-R575 WeakPolarHBondContact O-CA 3.37Å; N540-R575 PolarHBondContact OD1-N 2.85Å; D541-R575 IonicContact OD1-CZ 3.51Å; D541-R575 IonicContact OD1-NE 2.72Å; D541-R575 IonicContact OD1-NH2 3.52Å; D541-R575 PolarHBondContact OD1-NH2 3.08Å; D541-R575 IonicContact OD2-CZ 3.41Å; D541-R575 VanDerWaalsContact OD2-CZ 3.27Å; D541-R575 IonicContact OD2-NE 2.69Å; D541-R575 PolarHBondContact OD2-NE 2.99Å; D541-R575 IonicContact OD2-NH2 3.8Å; D541-R575 PolarHBondContact OD2-NH2 2.85Å
576I91.4Very high90.3Very high28 Ų2832.1 Ų32.114%0.14416%0.157CC..SBendtrans-136.8138.3-166.3-58.1166.5000109.2N540 H578 E602 K762 H763N540-I576 PolarHBondContact ND2-O 3.39Å; N540-I576 PolarHBondContact OD1-N 3.36Å; N540-I576 PolarHBondContact OD1-O 2.86Å; I576-H578 PolarHBondContact O-N 3.32Å; I576-E602 VanDerWaalsContact CA-OE2 3.25Å; I576-E602 WeakPolarHBondContact CA-OE2 3.45Å; I576-K762 HydrophobicContact CD1-CB 4.43Å; I576-K762 HydrophobicContact CD1-CD 3.98Å; I576-K762 HydrophobicContact CD1-CG 4.27Å; I576-H763 WeakPolarHBondContact CG2-CE1 3.45Å
577W91.8Very high91.1Very high2 Ų226.6 Ų26.61%0.00813%0.127CC..  trans-8185.6172.1-173.7-94.4000111.6L413 V415 T579 M582 V583 L587 V595 F597 E602 Y606 H763L413-W577 HydrophobicContact CD2-CH2 4.16Å; L413-W577 HydrophobicContact CD2-CZ3 3.69Å; V415-W577 HydrophobicContact CG2-CE3 4.18Å; W577-T579 PolarHBondContact NE1-OG1 2.94Å; W577-T579 PolarHBondContact O-N 3.17Å; W577-M582 HydrophobicContact CD2-CB 4.3Å; W577-M582 HydrophobicContact CD2-CG 4.11Å; W577-M582 HydrophobicContact CE3-CB 4.24Å; W577-M582 HydrophobicContact CE3-CG 3.91Å; W577-M582 HydrophobicContact CH2-CB 3.48Å; W577-M582 VanDerWaalsContact CH2-CB 3.48Å; W577-M582 HydrophobicContact CH2-CG 4.06Å; W577-M582 HydrophobicContact CZ2-CB 3.5Å; W577-M582 HydrophobicContact CZ2-CG 4.22Å; W577-M582 HydrophobicContact CZ3-CB 3.87Å; W577-M582 HydrophobicContact CZ3-CG 3.91Å; W577-V583 HydrophobicContact CZ2-CG2 4.14Å; W577-L587 HydrophobicContact CH2-CD1 3.92Å; W577-L587 HydrophobicContact CZ2-CD1 4.31Å; W577-V595 HydrophobicContact CZ3-CG1 4.09Å; W577-F597 HydrophobicContact CB-CE1 4.22Å; W577-F597 AromaticContact CD2-CE1 3.98Å; W577-F597 HydrophobicContact CD2-CE1 3.98Å; W577-F597 AromaticContact CD2-CZ 3.98Å; W577-F597 HydrophobicContact CD2-CZ 3.98Å; W577-F597 AromaticContact CE3-CE1 3.51Å; W577-F597 HydrophobicContact CE3-CE1 3.51Å; W577-F597 AromaticContact CE3-CZ 3.42Å; W577-F597 HydrophobicContact CE3-CZ 3.42Å; W577-F597 VanDerWaalsContact CE3-CZ 3.42Å; W577-F597 HydrophobicContact CG-CE1 4.25Å; W577-F597 HydrophobicContact CZ3-CE1 4.23Å; W577-F597 AromaticContact CZ3-CZ 3.71Å; W577-F597 HydrophobicContact CZ3-CZ 3.71Å; W577-E602 PolarHBondContact N-OE2 3.18Å; W577-Y606 HydrophobicContact CD2-CD2 4.23Å; W577-Y606 AromaticContact CE2-CD2 3.74Å; W577-Y606 HydrophobicContact CE3-CD2 4.45Å; W577-Y606 AromaticContact CH2-CD2 3.79Å; W577-Y606 HydrophobicContact CH2-CD2 3.79Å; W577-Y606 HydrophobicContact CH2-CE2 4.14Å; W577-Y606 AromaticContact CZ2-CD2 3.54Å; W577-Y606 HydrophobicContact CZ2-CD2 3.54Å; W577-Y606 HydrophobicContact CZ2-CE2 4.16Å; W577-Y606 HydrophobicContact CZ3-CD2 4.23Å; W577-H763 PolarHBondContact O-CE1 3.4Å; W577-H763 VanDerWaalsContact O-CE1 3.25Å; W577-H763 PolarHBondContact O-ND1 3.48Å; W577-H763 VanDerWaalsContact O-ND1 3.17Å
578H88.1Confident91.2Very high26 Ų2626.7 Ų26.712%0.1214%0.137CC..  trans-79.4100.3168-62.2-39.2000109.5N540 I576 D580 L581 M582 K762N540-H578 PolarHBondContact ND2-CD2 3.38Å; N540-H578 PolarHBondContact ND2-NE2 3.31Å; I576-H578 PolarHBondContact O-N 3.32Å; H578-D580 PolarHBondContact O-N 2.81Å; H578-L581 HydrophobicContact CB-CB 4Å; H578-L581 HydrophobicContact CB-CD2 4.46Å; H578-L581 PolarHBondContact O-N 3.02Å; H578-L581 VanDerWaalsContact O-N 3.16Å; H578-M582 WeakPolarHBondContact O-CG 3.36Å; H578-M582 PolarHBondContact O-N 3.47Å; H578-K762 PolarHBondContact CE1-O 2.67Å; H578-K762 PolarHBondContact ND1-O 3.33Å
579T87.1Confident91.1Very high28 Ų2827.7 Ų27.717%0.17214%0.142CC..Hα-helixtrans-49.6-51.5-174.2-57.80000113.3V342 W577 L581 M582 V583V342-T579 HydrophobicContact CB-CG2 3.94Å; V342-T579 HydrophobicContact CG1-CG2 4.21Å; V342-T579 HydrophobicContact CG2-CG2 4.18Å; W577-T579 PolarHBondContact NE1-OG1 2.94Å; W577-T579 PolarHBondContact O-N 3.17Å; T579-L581 PolarHBondContact O-N 3.32Å; T579-M582 PolarHBondContact O-N 3.35Å; T579-V583 HydrophobicContact CG2-CG2 3.98Å; T579-V583 VanDerWaalsContact O-CB 3.29Å; T579-V583 WeakPolarHBondContact O-CB 3.19Å; T579-V583 WeakPolarHBondContact O-CG2 3.17Å; T579-V583 PolarHBondContact O-N 2.72Å
580D84.4Confident91Very high56 Ų5627.3 Ų27.330%0.29914%0.14SC..Hα-helixtrans-55-52.1179.7-40.2-28.2000111.8H578 M582 Q584 K764H578-D580 PolarHBondContact O-N 2.81Å; D580-M582 PolarHBondContact O-N 2.85Å; D580-Q584 WeakPolarHBondContact O-CB 3.5Å; D580-Q584 WeakPolarHBondContact O-CG 3.08Å; D580-Q584 PolarHBondContact O-N 2.69Å; D580-K764 WeakPolarHBondContact OD2-CE 3.24Å; D580-K764 IonicContact OD2-NZ 2.74Å; D580-K764 PolarHBondContact OD2-NZ 3.33Å
581L88.4Confident90.3Very high9 Ų929.5 Ų29.55%0.04715%0.154CC..Hα-helixtrans-60.3-48.5-178.717767.5000111.2L539 V543 M551 L554 H578 T579 H585 I586L539-L581 HydrophobicContact CD2-CD2 4.01Å; L539-L581 HydrophobicContact CD2-CG 4.37Å; L539-L581 HydrophobicContact CG-CD2 4.22Å; V543-L581 HydrophobicContact CG2-CD1 4.21Å; V543-L581 HydrophobicContact CG2-CD2 3.86Å; M551-L581 HydrophobicContact SD-CD1 3.98Å; L554-L581 HydrophobicContact CD1-CD1 3.84Å; H578-L581 HydrophobicContact CB-CB 4Å; H578-L581 HydrophobicContact CB-CD2 4.46Å; H578-L581 PolarHBondContact O-N 3.02Å; H578-L581 VanDerWaalsContact O-N 3.16Å; T579-L581 PolarHBondContact O-N 3.32Å; L581-H585 WeakPolarHBondContact O-CB 2.98Å; L581-H585 PolarHBondContact O-N 3.27Å; L581-I586 HydrophobicContact CG-CG1 4.5Å; L581-I586 PolarHBondContact O-N 2.97Å
582M90.5Very high89.7Confident0 Ų031 Ų310%016%0.163CC..Iπ-helixtrans-72-43.9-174.2-62.3-60.2178.700111.6L413 L539 W577 H578 T579 D580 I586 L587L413-M582 HydrophobicContact CD1-CE 4.42Å; L413-M582 HydrophobicContact CD1-SD 4.06Å; L413-M582 HydrophobicContact CD2-SD 4.1Å; L539-M582 HydrophobicContact CD2-CE 4.34Å; L539-M582 HydrophobicContact CD2-SD 4.46Å; W577-M582 HydrophobicContact CD2-CB 4.3Å; W577-M582 HydrophobicContact CD2-CG 4.11Å; W577-M582 HydrophobicContact CE3-CB 4.24Å; W577-M582 HydrophobicContact CE3-CG 3.91Å; W577-M582 HydrophobicContact CH2-CB 3.48Å; W577-M582 VanDerWaalsContact CH2-CB 3.48Å; W577-M582 HydrophobicContact CH2-CG 4.06Å; W577-M582 HydrophobicContact CZ2-CB 3.5Å; W577-M582 HydrophobicContact CZ2-CG 4.22Å; W577-M582 HydrophobicContact CZ3-CB 3.87Å; W577-M582 HydrophobicContact CZ3-CG 3.91Å; H578-M582 WeakPolarHBondContact O-CG 3.36Å; H578-M582 PolarHBondContact O-N 3.47Å; T579-M582 PolarHBondContact O-N 3.35Å; D580-M582 PolarHBondContact O-N 2.85Å; M582-I586 PolarHBondContact O-N 3.31Å; M582-I586 HydrophobicContact SD-CB 4.37Å; M582-I586 HydrophobicContact SD-CG1 4.19Å; M582-I586 HydrophobicContact SD-CG2 4.47Å; M582-L587 WeakPolarHBondContact O-CB 3.46Å; M582-L587 VanDerWaalsContact O-CG 3.28Å; M582-L587 WeakPolarHBondContact O-CG 3.3Å; M582-L587 PolarHBondContact O-N 2.86Å
583V86.9Confident89.4Confident38 Ų3831.1 Ų31.123%0.2316%0.163CC..Iπ-helixtrans-79.3-39.7-175.7-179.80000112.4W577 T579 L587 P588W577-V583 HydrophobicContact CZ2-CG2 4.14Å; T579-V583 HydrophobicContact CG2-CG2 3.98Å; T579-V583 VanDerWaalsContact O-CB 3.29Å; T579-V583 WeakPolarHBondContact O-CB 3.19Å; T579-V583 WeakPolarHBondContact O-CG2 3.17Å; T579-V583 PolarHBondContact O-N 2.72Å; V583-L587 HydrophobicContact CG2-CD1 4.27Å; V583-P588 WeakPolarHBondContact O-CD 3.46Å
584Q86.3Confident89.3Confident120 Ų12031.1 Ų31.156%0.56116%0.163SC*.Iπ-helixtrans-89.4-25.8-174.3-55.1176.32.700113.5D580D580-Q584 WeakPolarHBondContact O-CB 3.5Å; D580-Q584 WeakPolarHBondContact O-CG 3.08Å; D580-Q584 PolarHBondContact O-N 2.69Å
585H89.2Confident89.4Confident60 Ų6031.1 Ų31.128%0.27816%0.163SC..Iπ-helixtrans-128.1-18.8-169.7-55.9-66.2000116M551 L554 L581 L589M551-H585 HydrophobicContact CE-CB 4.22Å; M551-H585 WeakPolarHBondContact CE-CD2 3.43Å; M551-H585 WeakPolarHBondContact CE-NE2 3.45Å; L554-H585 HydrophobicContact CD1-CB 4.21Å; L581-H585 WeakPolarHBondContact O-CB 2.98Å; L581-H585 PolarHBondContact O-N 3.27Å; H585-L589 WeakPolarHBondContact O-CD1 3.43Å
586I92.9Very high89.6Confident0 Ų027.6 Ų27.60%015%0.15CC..Iπ-helixtrans-106.6-57.7-178.6-61.1-62000111.8L413 L539 L554 V572 L581 M582 P588 L589 M590L413-I586 HydrophobicContact CD2-CG2 4.43Å; L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.7Å; L554-I586 HydrophobicContact CD1-CD1 3.77Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.29Å; V572-I586 HydrophobicContact CG1-CG2 4.4Å; V572-I586 HydrophobicContact CG2-CG2 4.03Å; L581-I586 HydrophobicContact CG-CG1 4.5Å; L581-I586 PolarHBondContact O-N 2.97Å; M582-I586 PolarHBondContact O-N 3.31Å; M582-I586 HydrophobicContact SD-CB 4.37Å; M582-I586 HydrophobicContact SD-CG1 4.19Å; M582-I586 HydrophobicContact SD-CG2 4.47Å; I586-P588 VanDerWaalsContact C-CD 3.42Å; I586-L589 WeakPolarHBondContact O-CA 3.4Å; I586-L589 WeakPolarHBondContact O-CB 3.41Å; I586-L589 PolarHBondContact O-N 3.42Å; I586-M590 HydrophobicContact CG2-SD 3.46Å; I586-M590 WeakPolarHBondContact CG2-SD 3.16Å; I586-M590 WeakPolarHBondContact O-CG 3.44Å
587L90.7Very high89.8Confident17 Ų1726.3 Ų26.39%0.08914%0.143CC..G310 helixtrans-57.9-34.8-178.3-72.5168.1000114.8F345 L413 W577 M582 V583 L589 M590 V593 V595F345-L587 HydrophobicContact CE1-CD1 4.11Å; F345-L587 HydrophobicContact CE1-CD2 4.43Å; F345-L587 HydrophobicContact CZ-CD1 3.56Å; F345-L587 HydrophobicContact CZ-CD2 4.05Å; F345-L587 HydrophobicContact CZ-CG 4.36Å; L413-L587 HydrophobicContact CD2-CD2 4.28Å; W577-L587 HydrophobicContact CH2-CD1 3.92Å; W577-L587 HydrophobicContact CZ2-CD1 4.31Å; M582-L587 WeakPolarHBondContact O-CB 3.46Å; M582-L587 VanDerWaalsContact O-CG 3.28Å; M582-L587 WeakPolarHBondContact O-CG 3.3Å; M582-L587 PolarHBondContact O-N 2.86Å; V583-L587 HydrophobicContact CG2-CD1 4.27Å; L587-L589 PolarHBondContact O-N 2.88Å; L587-M590 PolarHBondContact O-N 3.08Å; L587-V593 HydrophobicContact CD2-CG1 4.02Å; L587-V595 HydrophobicContact CD2-CG2 4.04Å
588P89.3Confident89.8Confident89 Ų8928.5 Ų28.558%0.57816%0.155SC*.G310 helixtrans-61.8-23.1173.4-25.136.7000113.9V583 I586 M590V583-P588 WeakPolarHBondContact O-CD 3.46Å; I586-P588 VanDerWaalsContact C-CD 3.42Å; P588-M590 VanDerWaalsContact C-N 3.31Å
589L90.2Very high90.1Very high23 Ų2327.5 Ų27.512%0.1215%0.151CC..G310 helixtrans-88.95.2177.1-49.3-176.8000112.9P558 L563 L570 H585 I586 L587P558-L589 HydrophobicContact CB-CD2 3.95Å; P558-L589 HydrophobicContact CG-CD2 3.89Å; L563-L589 HydrophobicContact CD1-CB 3.87Å; L563-L589 HydrophobicContact CD1-CD1 4.09Å; L563-L589 HydrophobicContact CD1-CD2 4.26Å; L563-L589 HydrophobicContact CD1-CG 4.3Å; L570-L589 HydrophobicContact CD2-CB 3.73Å; L570-L589 HydrophobicContact CD2-CD1 4.32Å; H585-L589 WeakPolarHBondContact O-CD1 3.43Å; I586-L589 WeakPolarHBondContact O-CA 3.4Å; I586-L589 WeakPolarHBondContact O-CB 3.41Å; I586-L589 PolarHBondContact O-N 3.42Å; L587-L589 PolarHBondContact O-N 2.88Å
590M90.9Very high90.4Very high2 Ų226.3 Ų26.31%0.0114%0.144CC..  trans-13866.7-169.9-53.6176.186.500111.4V412 L413 L570 V572 I586 L587 P588 D592 V593V412-M590 VanDerWaalsContact O-CE 3.25Å; V412-M590 WeakPolarHBondContact O-CE 3.44Å; L413-M590 HydrophobicContact CB-CE 4.18Å; L570-M590 HydrophobicContact CB-CE 4.47Å; L570-M590 HydrophobicContact CB-CG 4.23Å; L570-M590 HydrophobicContact CD2-CG 3.72Å; L570-M590 HydrophobicContact CD2-SD 4.24Å; L570-M590 HydrophobicContact CG-CE 4.34Å; L570-M590 HydrophobicContact CG-CG 4.18Å; L570-M590 HydrophobicContact CG-SD 4.46Å; L570-M590 WeakPolarHBondContact O-CE 3.41Å; V572-M590 HydrophobicContact CB-CE 4.42Å; V572-M590 HydrophobicContact CG2-CE 3.93Å; V572-M590 HydrophobicContact CG2-SD 4.05Å; I586-M590 HydrophobicContact CG2-SD 3.46Å; I586-M590 WeakPolarHBondContact CG2-SD 3.16Å; I586-M590 WeakPolarHBondContact O-CG 3.44Å; L587-M590 PolarHBondContact O-N 3.08Å; P588-M590 VanDerWaalsContact C-N 3.31Å; M590-D592 VanDerWaalsContact C-N 3.3Å; M590-D592 PolarHBondContact O-N 3.39Å; M590-V593 HydrophobicContact CB-CB 3.84Å; M590-V593 HydrophobicContact CB-CG2 4.17Å; M590-V593 HydrophobicContact CE-CG2 3.88Å; M590-V593 WeakPolarHBondContact O-CB 3.31Å; M590-V593 PolarHBondContact O-N 2.89Å; M590-V593 HydrophobicContact SD-CG2 4.24Å
591P81.9Confident90.8Very high46 Ų4623.8 Ų23.830%0.29913%0.13SC..THydrogen-bonded Turntrans-53.9-45-177.218.6-30.9000112.9R362 T564 V593R362-P591 VanDerWaalsContact CD-O 3.3Å; R362-P591 WeakPolarHBondContact CD-O 3.4Å; R362-P591 PolarHBondContact NE-O 3.16Å; T564-P591 HydrophobicContact CG2-CG 4.39Å; P591-V593 PolarHBondContact O-N 3.09Å
592D84.1Confident91.1Very high33 Ų3324 Ų2418%0.17613%0.131CC..THydrogen-bonded Turntrans-98.928.2-172.1-52.3-68.3000113.6H363 H405 Q565 M590H363-D592 IonicContact CE1-OD1 3.14Å; H363-D592 PolarHBondContact CE1-OD1 3.22Å; H405-D592 PolarHBondContact CE1-O 2.77Å; H405-D592 PolarHBondContact NE2-O 2.81Å; Q565-D592 HydrophobicContact CB-CB 4.41Å; Q565-D592 VanDerWaalsContact CB-OD2 3.3Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.46Å; M590-D592 VanDerWaalsContact C-N 3.3Å; M590-D592 PolarHBondContact O-N 3.39Å
593V92Very high91.1Very high2 Ų224 Ų241%0.01213%0.131CC..  trans-60.9145.1-171.369.50000114.2W360 S361 S411 L413 L587 M590 P591 V595W360-V593 HydrophobicContact CE3-CG1 4.39Å; W360-V593 HydrophobicContact CZ3-CG1 3.84Å; S361-V593 WeakPolarHBondContact CA-O 3.43Å; S361-V593 WeakPolarHBondContact CB-O 3.38Å; S361-V593 PolarHBondContact OG-O 3.35Å; S411-V593 CarbonylContact O-C 3.58Å; S411-V593 WeakPolarHBondContact O-CA 3.37Å; L413-V593 HydrophobicContact CB-CG2 4.08Å; L587-V593 HydrophobicContact CD2-CG1 4.02Å; M590-V593 HydrophobicContact CB-CB 3.84Å; M590-V593 HydrophobicContact CB-CG2 4.17Å; M590-V593 HydrophobicContact CE-CG2 3.88Å; M590-V593 WeakPolarHBondContact O-CB 3.31Å; M590-V593 PolarHBondContact O-N 2.89Å; M590-V593 HydrophobicContact SD-CG2 4.24Å; P591-V593 PolarHBondContact O-N 3.09Å; V593-V595 HydrophobicContact CG1-CG2 3.99Å; V593-V595 HydrophobicContact CG2-CG2 3.88Å
594L94.6Very high91.3Very high0 Ų022.3 Ų22.30%012%0.121CC..EExtended strand (participates in β ladder)trans-107115.4153.4169.866.7000108W360 V365 F401 H405 S411 V412 L413 L596W360-L594 CarbonylContact O-C 3.56Å; W360-L594 WeakPolarHBondContact O-CA 3.14Å; V365-L594 HydrophobicContact CG1-CD2 4.39Å; V365-L594 HydrophobicContact CG2-CD1 4.29Å; V365-L594 HydrophobicContact CG2-CD2 4.36Å; F401-L594 HydrophobicContact CB-CD2 4.05Å; F401-L594 WeakPolarHBondContact O-CD2 3.33Å; H405-L594 HydrophobicContact CB-CD2 3.67Å; H405-L594 VanDerWaalsContact CD2-CB 3.42Å; H405-L594 WeakPolarHBondContact CD2-CB 3.43Å; H405-L594 VanDerWaalsContact NE2-CB 3.31Å; H405-L594 WeakPolarHBondContact NE2-CB 3.26Å; H405-L594 PolarHBondContact NE2-N 2.86Å; S411-L594 PolarHBondContact O-N 2.75Å; V412-L594 WeakPolarHBondContact CA-O 3.15Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.3Å; V412-L594 HydrophobicContact CG2-CG 4.32Å; V412-L594 VanDerWaalsContact CG2-O 3.31Å; V412-L594 WeakPolarHBondContact CG2-O 3.27Å; L413-L594 PolarHBondContact N-O 2.89Å; L594-L596 HydrophobicContact CD1-CD2 3.77Å; L594-L596 HydrophobicContact CD1-CG 4.36Å; L594-L596 HydrophobicContact CD2-CD1 4.14Å; L594-L596 HydrophobicContact CD2-CD2 4.09Å; L594-L596 HydrophobicContact CD2-CG 4.18Å; L594-L596 HydrophobicContact CG-CD1 4.42Å; L594-L596 HydrophobicContact CG-CD2 3.87Å; L594-L596 HydrophobicContact CG-CG 3.93Å
595V94.9Very high91.5Very high0 Ų017 Ų170%010%0.096CC..EExtended strand (participates in β ladder)trans-93.2131.5172.8-170.90000108.1G359 W360 L413 W577 L587 V593 F597G359-V595 CarbonylContact C-O 3.44Å; G359-V595 VanDerWaalsContact CA-O 3.28Å; G359-V595 WeakPolarHBondContact CA-O 3.5Å; W360-V595 HydrophobicContact CE3-CG2 4.2Å; W360-V595 PolarHBondContact N-O 3.26Å; W360-V595 PolarHBondContact O-N 2.89Å; L413-V595 HydrophobicContact CB-CG2 4.46Å; L413-V595 HydrophobicContact CD2-CG1 4.27Å; L413-V595 HydrophobicContact CD2-CG2 4.44Å; L413-V595 HydrophobicContact CG-CG1 4.3Å; L413-V595 CarbonylContact O-C 3.35Å; L413-V595 WeakPolarHBondContact O-CA 3.27Å; W577-V595 HydrophobicContact CZ3-CG1 4.09Å; L587-V595 HydrophobicContact CD2-CG2 4.04Å; V593-V595 HydrophobicContact CG1-CG2 3.99Å; V593-V595 HydrophobicContact CG2-CG2 3.88Å; V595-F597 HydrophobicContact CG1-CD2 4.22Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.83Å
596L95.8Very high91.4Very high0 Ų015.4 Ų15.40%09%0.088CC..EExtended strand (participates in β ladder)trans-127.9130.8179.7-62.6178.1000111V357 L358 V398 F401 A402 V412 L413 V414 V415 L594V357-L596 HydrophobicContact CG1-CB 4.39Å; V357-L596 HydrophobicContact CG1-CD2 4.02Å; L358-L596 WeakPolarHBondContact O-CA 3.47Å; V398-L596 HydrophobicContact CB-CD1 4.15Å; V398-L596 HydrophobicContact CG1-CB 4.29Å; V398-L596 WeakPolarHBondContact O-CD1 3.38Å; F401-L596 HydrophobicContact CB-CD1 4.12Å; F401-L596 HydrophobicContact CB-CD2 3.81Å; F401-L596 HydrophobicContact CD2-CD2 4.36Å; F401-L596 HydrophobicContact CG-CD2 4.21Å; A402-L596 HydrophobicContact CB-CD1 3.87Å; V412-L596 HydrophobicContact CG2-CD1 4.45Å; L413-L596 PolarHBondContact O-N 3.3Å; V414-L596 HydrophobicContact CG1-CB 4.35Å; V414-L596 HydrophobicContact CG2-CD1 4.32Å; V415-L596 PolarHBondContact N-O 2.96Å; L594-L596 HydrophobicContact CD1-CD2 3.77Å; L594-L596 HydrophobicContact CD1-CG 4.36Å; L594-L596 HydrophobicContact CD2-CD1 4.14Å; L594-L596 HydrophobicContact CD2-CD2 4.09Å; L594-L596 HydrophobicContact CD2-CG 4.18Å; L594-L596 HydrophobicContact CG-CD1 4.42Å; L594-L596 HydrophobicContact CG-CD2 3.87Å; L594-L596 HydrophobicContact CG-CG 3.93Å
597F95.1Very high91Very high1 Ų115.9 Ų15.90%0.0049%0.093CC..EExtended strand (participates in β ladder)trans-116.8117.9171.3-59-95.3000110.3V357 L358 V415 W577 V595 E602 A603 Y606V357-F597 WeakPolarHBondContact CA-O 3.28Å; L358-F597 HydrophobicContact CB-CB 4.32Å; L358-F597 HydrophobicContact CD2-CD2 4.09Å; L358-F597 PolarHBondContact N-O 3.43Å; L358-F597 PolarHBondContact O-N 2.88Å; V415-F597 HydrophobicContact CB-CD1 3.96Å; V415-F597 HydrophobicContact CB-CE1 4.13Å; V415-F597 HydrophobicContact CG1-CD1 4.16Å; V415-F597 HydrophobicContact CG1-CE1 4.3Å; V415-F597 HydrophobicContact CG2-CE1 4.5Å; V415-F597 WeakPolarHBondContact O-CA 3.47Å; W577-F597 HydrophobicContact CB-CE1 4.22Å; W577-F597 AromaticContact CD2-CE1 3.98Å; W577-F597 HydrophobicContact CD2-CE1 3.98Å; W577-F597 AromaticContact CD2-CZ 3.98Å; W577-F597 HydrophobicContact CD2-CZ 3.98Å; W577-F597 AromaticContact CE3-CE1 3.51Å; W577-F597 HydrophobicContact CE3-CE1 3.51Å; W577-F597 AromaticContact CE3-CZ 3.42Å; W577-F597 HydrophobicContact CE3-CZ 3.42Å; W577-F597 VanDerWaalsContact CE3-CZ 3.42Å; W577-F597 HydrophobicContact CG-CE1 4.25Å; W577-F597 HydrophobicContact CZ3-CE1 4.23Å; W577-F597 AromaticContact CZ3-CZ 3.71Å; W577-F597 HydrophobicContact CZ3-CZ 3.71Å; V595-F597 HydrophobicContact CG1-CD2 4.22Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.83Å; F597-E602 HydrophobicContact CD1-CB 4.32Å; F597-A603 HydrophobicContact CB-CB 3.66Å; F597-A603 HydrophobicContact CD1-CB 4.06Å; F597-A603 HydrophobicContact CD2-CB 4.25Å; F597-A603 HydrophobicContact CG-CB 3.75Å; F597-Y606 HydrophobicContact CE1-CG 4.24Å; F597-Y606 AromaticContact CE2-CD1 3.64Å; F597-Y606 HydrophobicContact CE2-CD1 3.64Å; F597-Y606 HydrophobicContact CE2-CD2 4.02Å; F597-Y606 HydrophobicContact CE2-CE1 4.03Å; F597-Y606 HydrophobicContact CE2-CE2 4.36Å; F597-Y606 AromaticContact CE2-CG 3.64Å; F597-Y606 HydrophobicContact CE2-CG 3.64Å; F597-Y606 AromaticContact CZ-CD1 3.85Å; F597-Y606 HydrophobicContact CZ-CD1 3.85Å; F597-Y606 AromaticContact CZ-CD2 3.62Å; F597-Y606 HydrophobicContact CZ-CD2 3.62Å; F597-Y606 HydrophobicContact CZ-CE2 4.33Å; F597-Y606 AromaticContact CZ-CG 3.33Å; F597-Y606 HydrophobicContact CZ-CG 3.33Å
598D92.7Very high90.7Very high49 Ų4915.5 Ų15.526%0.2629%0.093SC..SBendtrans-85.4-21.1167.1-165.184.6000111.4V357 V398 V415 I420V357-D598 HydrophobicContact CG2-CB 4.45Å; V398-D598 HydrophobicContact CG1-CB 3.8Å; V415-D598 PolarHBondContact O-N 2.76Å; I420-D598 HydrophobicContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CD1-CB 3.44Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.27Å
599D93.4Very high90.6Very high5 Ų511.5 Ų11.53%0.0277%0.067CC..  trans-104.2112.4178.7-163.1-54.4000111.1N417 L601 E602 A603 K720N417-D599 PolarHBondContact ND2-OD2 3.38Å; N417-D599 PolarHBondContact OD1-OD2 3.3Å; D599-L601 VanDerWaalsContact C-N 3.29Å; D599-L601 PolarHBondContact O-N 3.17Å; D599-L601 WeakPolarHBondContact OD1-CB 3.43Å; D599-L601 PolarHBondContact OD1-N 3.49Å; D599-E602 HydrophobicContact CB-CB 4.05Å; D599-E602 HydrophobicContact CB-CG 3.85Å; D599-E602 PolarHBondContact O-N 2.67Å; D599-E602 PolarHBondContact OD1-N 3.08Å; D599-A603 WeakPolarHBondContact O-CB 3.35Å; D599-A603 PolarHBondContact O-N 2.84Å; D599-K720 WeakPolarHBondContact OD2-CE 3.29Å; D599-K720 IonicContact OD2-NZ 2.85Å; D599-K720 PolarHBondContact OD2-NZ 3Å
600A93.4Very high90.6Very high3 Ų312.5 Ų12.53%0.0257%0.071CC..Hα-helixtrans-71-21.7-174.700000114.2S604 F723 Y727A600-S604 PolarHBondContact O-N 3.08Å; A600-S604 VanDerWaalsContact O-N 3.13Å; A600-S604 PolarHBondContact O-OG 2.89Å; A600-F723 HydrophobicContact CB-CB 4.06Å; A600-F723 WeakPolarHBondContact O-CB 3.42Å; A600-Y727 HydrophobicContact CB-CE1 3.67Å; A600-Y727 WeakPolarHBondContact CB-OH 3.36Å
601L94.4Very high90.6Very high3 Ų313.2 Ų13.22%0.0168%0.075CC..Hα-helixtrans-75.6-42.9174.3175.959.1000110.1D599 A603 S604 V605 W716 K720 F723 F759D599-L601 VanDerWaalsContact C-N 3.29Å; D599-L601 PolarHBondContact O-N 3.17Å; D599-L601 WeakPolarHBondContact OD1-CB 3.43Å; D599-L601 PolarHBondContact OD1-N 3.49Å; L601-A603 VanDerWaalsContact C-N 3.3Å; L601-A603 PolarHBondContact O-N 2.79Å; L601-S604 WeakPolarHBondContact O-CB 3.49Å; L601-S604 PolarHBondContact O-N 3.48Å; L601-V605 PolarHBondContact O-N 2.82Å; L601-W716 HydrophobicContact CD2-CH2 4.34Å; L601-W716 HydrophobicContact CD2-CZ2 4.1Å; L601-K720 HydrophobicContact CB-CB 4.06Å; L601-K720 HydrophobicContact CB-CD 4.1Å; L601-K720 HydrophobicContact CB-CG 3.91Å; L601-K720 HydrophobicContact CD2-CD 3.92Å; L601-K720 HydrophobicContact CD2-CG 3.77Å; L601-F723 HydrophobicContact CB-CD2 4.2Å; L601-F723 HydrophobicContact CB-CG 4.36Å; L601-F723 HydrophobicContact CD1-CD1 3.9Å; L601-F723 HydrophobicContact CD1-CD2 3.98Å; L601-F723 HydrophobicContact CD1-CE1 3.7Å; L601-F723 HydrophobicContact CD1-CE2 3.79Å; L601-F723 HydrophobicContact CD1-CG 4.05Å; L601-F723 HydrophobicContact CD1-CZ 3.65Å; L601-F759 HydrophobicContact CD1-CE1 4.02Å; L601-F759 HydrophobicContact CD1-CE2 4.12Å; L601-F759 HydrophobicContact CD1-CZ 3.57Å; L601-F759 HydrophobicContact CD2-CD1 4.46Å; L601-F759 HydrophobicContact CD2-CD2 3.75Å; L601-F759 HydrophobicContact CD2-CE1 4.24Å; L601-F759 HydrophobicContact CD2-CE2 3.49Å; L601-F759 VanDerWaalsContact CD2-CE2 3.49Å; L601-F759 HydrophobicContact CD2-CG 4.23Å; L601-F759 HydrophobicContact CD2-CZ 3.75Å; L601-F759 HydrophobicContact CG-CD2 4.22Å; L601-F759 HydrophobicContact CG-CE1 4.22Å; L601-F759 HydrophobicContact CG-CE2 3.43Å; L601-F759 VanDerWaalsContact CG-CE2 3.43Å; L601-F759 HydrophobicContact CG-CZ 3.42Å; L601-F759 VanDerWaalsContact CG-CZ 3.42Å
602E93.6Very high91.1Very high12 Ų1213.2 Ų13.26%0.0567%0.072CC..Hα-helixtrans-61.6-39.3171.6-62.2-65.2140.200111.6V415 I576 W577 F597 D599 S604 V605 Y606 F759 H763V415-E602 HydrophobicContact CG1-CB 4.31Å; I576-E602 VanDerWaalsContact CA-OE2 3.25Å; I576-E602 WeakPolarHBondContact CA-OE2 3.45Å; W577-E602 PolarHBondContact N-OE2 3.18Å; F597-E602 HydrophobicContact CD1-CB 4.32Å; D599-E602 HydrophobicContact CB-CB 4.05Å; D599-E602 HydrophobicContact CB-CG 3.85Å; D599-E602 PolarHBondContact O-N 2.67Å; D599-E602 PolarHBondContact OD1-N 3.08Å; E602-S604 PolarHBondContact O-N 2.84Å; E602-V605 PolarHBondContact O-N 3.17Å; E602-Y606 PolarHBondContact O-N 3.04Å; E602-Y606 VanDerWaalsContact O-N 3.12Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.01Å; E602-H763 IonicContact OE1-CE1 3.91Å; E602-H763 IonicContact OE1-NE2 3.42Å; E602-H763 PolarHBondContact OE1-NE2 3.48Å; E602-H763 IonicContact OE2-CE1 3.49Å; E602-H763 PolarHBondContact OE2-CE1 3.22Å; E602-H763 IonicContact OE2-NE2 2.62Å; E602-H763 PolarHBondContact OE2-NE2 2.91Å; E602-H763 VanDerWaalsContact OE2-NE2 3.11Å
603A91.9Very high91.5Very high0 Ų012.7 Ų12.70%07%0.071CC..Hα-helixtrans-62.4-27.1173.100000113.3L358 F597 D599 L601 G607 Y727L358-A603 HydrophobicContact CB-CB 4.43Å; L358-A603 HydrophobicContact CD2-CB 3.91Å; F597-A603 HydrophobicContact CB-CB 3.66Å; F597-A603 HydrophobicContact CD1-CB 4.06Å; F597-A603 HydrophobicContact CD2-CB 4.25Å; F597-A603 HydrophobicContact CG-CB 3.75Å; D599-A603 WeakPolarHBondContact O-CB 3.35Å; D599-A603 PolarHBondContact O-N 2.84Å; L601-A603 VanDerWaalsContact C-N 3.3Å; L601-A603 PolarHBondContact O-N 2.79Å; A603-G607 PolarHBondContact O-N 3.08Å; A603-Y727 HydrophobicContact CB-CE1 3.94Å
604S90.9Very high91.5Very high4 Ų414.6 Ų14.63%0.0288%0.077CC..Hα-helixtrans-79.7-30.2177.5-64.50000112.5A600 L601 E602 G607 G608 V609 F723A600-S604 PolarHBondContact O-N 3.08Å; A600-S604 VanDerWaalsContact O-N 3.13Å; A600-S604 PolarHBondContact O-OG 2.89Å; L601-S604 WeakPolarHBondContact O-CB 3.49Å; L601-S604 PolarHBondContact O-N 3.48Å; E602-S604 PolarHBondContact O-N 2.84Å; S604-G607 CarbonylContact O-C 3.53Å; S604-G607 PolarHBondContact O-N 3.21Å; S604-G608 PolarHBondContact O-N 3.19Å; S604-G608 VanDerWaalsContact O-N 3.15Å; S604-V609 WeakPolarHBondContact O-CB 3.36Å; S604-V609 PolarHBondContact O-N 3.11Å; S604-F723 WeakPolarHBondContact OG-CB 3.38Å
605V89.6Confident91.4Very high7 Ų715.9 Ų15.94%0.0429%0.086CC..Hα-helixtrans-66-49.2168.3-176.30000110.4L340 L601 E602 G607 G608 F759L340-V605 HydrophobicContact CD2-CG1 4.01Å; L601-V605 PolarHBondContact O-N 2.82Å; E602-V605 PolarHBondContact O-N 3.17Å; V605-G607 PolarHBondContact O-N 2.96Å; V605-G608 PolarHBondContact O-N 3.45Å; V605-G608 VanDerWaalsContact O-N 3.07Å; V605-F759 HydrophobicContact CG2-CE1 4.29Å; V605-F759 HydrophobicContact CG2-CE2 4.25Å; V605-F759 HydrophobicContact CG2-CZ 3.48Å; V605-F759 VanDerWaalsContact CG2-CZ 3.48Å
606Y88.1Confident91.2Very high27 Ų2716 Ų1611%0.1069%0.086CC..Hα-helixtrans-52.2-37.8170.8164.9-100.3000112.3F345 L358 W577 F597 E602F345-Y606 HydrophobicContact CE2-CE2 4.03Å; F345-Y606 WeakPolarHBondContact CE2-OH 3.47Å; L358-Y606 HydrophobicContact CD2-CD1 4.41Å; L358-Y606 HydrophobicContact CD2-CE1 4.5Å; W577-Y606 HydrophobicContact CD2-CD2 4.23Å; W577-Y606 AromaticContact CE2-CD2 3.74Å; W577-Y606 HydrophobicContact CE3-CD2 4.45Å; W577-Y606 AromaticContact CH2-CD2 3.79Å; W577-Y606 HydrophobicContact CH2-CD2 3.79Å; W577-Y606 HydrophobicContact CH2-CE2 4.14Å; W577-Y606 AromaticContact CZ2-CD2 3.54Å; W577-Y606 HydrophobicContact CZ2-CD2 3.54Å; W577-Y606 HydrophobicContact CZ2-CE2 4.16Å; W577-Y606 HydrophobicContact CZ3-CD2 4.23Å; F597-Y606 HydrophobicContact CE1-CG 4.24Å; F597-Y606 AromaticContact CE2-CD1 3.64Å; F597-Y606 HydrophobicContact CE2-CD1 3.64Å; F597-Y606 HydrophobicContact CE2-CD2 4.02Å; F597-Y606 HydrophobicContact CE2-CE1 4.03Å; F597-Y606 HydrophobicContact CE2-CE2 4.36Å; F597-Y606 AromaticContact CE2-CG 3.64Å; F597-Y606 HydrophobicContact CE2-CG 3.64Å; F597-Y606 AromaticContact CZ-CD1 3.85Å; F597-Y606 HydrophobicContact CZ-CD1 3.85Å; F597-Y606 AromaticContact CZ-CD2 3.62Å; F597-Y606 HydrophobicContact CZ-CD2 3.62Å; F597-Y606 HydrophobicContact CZ-CE2 4.33Å; F597-Y606 AromaticContact CZ-CG 3.33Å; F597-Y606 HydrophobicContact CZ-CG 3.33Å; E602-Y606 PolarHBondContact O-N 3.04Å; E602-Y606 VanDerWaalsContact O-N 3.12Å
607G83.5Confident90.7Very high10 Ų1018 Ų1810%0.10310%0.103CC..THydrogen-bonded Turntrans-78.5-7.3179.200000117A603 S604 V605 V609 V738A603-G607 PolarHBondContact O-N 3.08Å; S604-G607 CarbonylContact O-C 3.53Å; S604-G607 PolarHBondContact O-N 3.21Å; V605-G607 PolarHBondContact O-N 2.96Å; G607-V609 VanDerWaalsContact C-N 3.32Å; G607-V609 PolarHBondContact O-N 3.07Å; G607-V738 VanDerWaalsContact O-CB 3.25Å; G607-V738 WeakPolarHBondContact O-CB 3.29Å; G607-V738 WeakPolarHBondContact O-CG2 3.26Å
608G84.6Confident90.4Very high9 Ų923.1 Ų23.19%0.09313%0.13CC..THydrogen-bonded Turntrans66.230.8-174.800000114.4S604 V605 V738S604-G608 PolarHBondContact O-N 3.19Å; S604-G608 VanDerWaalsContact O-N 3.15Å; V605-G608 PolarHBondContact O-N 3.45Å; V605-G608 VanDerWaalsContact O-N 3.07Å; G608-V738 PolarHBondContact O-N 3.33Å
609V88.1Confident90Very high5 Ų524.1 Ų24.13%0.0313%0.133CC..  trans-77.4120.2175.3176.30000109.4L340 S604 G607 F726 G739L340-V609 WeakPolarHBondContact CD1-O 3.39Å; S604-V609 WeakPolarHBondContact O-CB 3.36Å; S604-V609 PolarHBondContact O-N 3.11Å; G607-V609 VanDerWaalsContact C-N 3.32Å; G607-V609 PolarHBondContact O-N 3.07Å; V609-F726 HydrophobicContact CG1-CD2 3.94Å; V609-F726 HydrophobicContact CG1-CE1 4.24Å; V609-F726 HydrophobicContact CG1-CE2 3.6Å; V609-F726 HydrophobicContact CG1-CG 4.4Å; V609-F726 HydrophobicContact CG1-CZ 3.75Å; V609-F726 HydrophobicContact CG2-CB 4.37Å; V609-F726 HydrophobicContact CG2-CD1 4.45Å; V609-F726 HydrophobicContact CG2-CD2 4.27Å; V609-F726 HydrophobicContact CG2-CG 4.13Å; V609-G739 WeakPolarHBondContact CA-O 3.41Å
610Q89.1Confident89.7Confident44 Ų4428.3 Ų28.321%0.20616%0.161CC..EExtended strand (participates in β ladder)trans-67.8140.4179.3-67.6178.5-22.700111.1P737 G739 Q740 S741Q610-P737 HydrophobicContact CG-CB 4.14Å; Q610-G739 PolarHBondContact N-O 3.31Å; Q610-Q740 HydrophobicContact CB-CG 4.29Å; Q610-Q740 CarbonylContact O-C 3.59Å; Q610-Q740 WeakPolarHBondContact O-CA 3.39Å; Q610-S741 PolarHBondContact O-N 3.08Å
611L91.4Very high89.5Confident18 Ų1832.2 Ų32.29%0.09418%0.178CC..EExtended strand (participates in β ladder)trans-118.8117.7177.4-175.659.3000110.2V613 F723 S741 V743 L756 F759 Y760L611-V613 HydrophobicContact CG-CG2 4.47Å; L611-F723 HydrophobicContact CD1-CE1 4.37Å; L611-F723 HydrophobicContact CD1-CZ 4.11Å; L611-S741 WeakPolarHBondContact CD1-OG 3.46Å; L611-V743 HydrophobicContact CD1-CG2 3.93Å; L611-L756 HydrophobicContact CD2-CD2 4.36Å; L611-F759 HydrophobicContact CD2-CD1 4.31Å; L611-F759 HydrophobicContact CD2-CE1 4.03Å; L611-Y760 HydrophobicContact CD2-CD2 4.46Å; L611-Y760 HydrophobicContact CD2-CE2 3.58Å; L611-Y760 HydrophobicContact CG-CE2 4.11Å; L611-Y760 PolarHBondContact O-OH 3.46Å
612D91Very high89.3Confident45 Ų4532.1 Ų32.124%0.24118%0.178CC..EExtended strand (participates in β ladder)trans-110139.7173.8-179.317.6000109R614 S741 V742 V743D612-R614 IonicContact OD2-CZ 2.94Å; D612-R614 IonicContact OD2-NE 3.05Å; D612-R614 PolarHBondContact OD2-NE 2.92Å; D612-R614 IonicContact OD2-NH2 4Å; D612-R614 PolarHBondContact OD2-NH2 3.08Å; D612-S741 PolarHBondContact N-O 2.88Å; D612-V742 HydrophobicContact CB-CG1 4.42Å; D612-V742 HydrophobicContact CB-CG2 4.19Å; D612-V742 WeakPolarHBondContact O-CA 3.43Å; D612-V743 PolarHBondContact O-N 3.48Å
613V93.1Very high89Confident23 Ų2332.4 Ų32.414%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-132.4100.7179.5-176.10000108.3L611 V743 A745 L756 Y760 L771L611-V613 HydrophobicContact CG-CG2 4.47Å; V613-V743 CarbonylContact C-O 3.29Å; V613-V743 WeakPolarHBondContact CA-O 3.32Å; V613-V743 HydrophobicContact CG1-CB 4.43Å; V613-V743 HydrophobicContact CG2-CB 4.26Å; V613-V743 HydrophobicContact CG2-CG2 4.48Å; V613-A745 HydrophobicContact CG1-CB 4.23Å; V613-L756 HydrophobicContact CG1-CD1 4.18Å; V613-L756 HydrophobicContact CG2-CD1 4.18Å; V613-Y760 HydrophobicContact CG2-CE2 4.26Å; V613-L771 HydrophobicContact CB-CD1 4.26Å; V613-L771 HydrophobicContact CG1-CD1 3.96Å; V613-L771 HydrophobicContact CG1-CD2 4.13Å
614R92.6Very high88.8Confident41 Ų4137.2 Ų37.216%0.15520%0.202CC..EExtended strand (participates in β ladder)trans-91.9121.2177.7-56.4-173.7-174.3-161.1-8.7108D612 V616 E632 V742 V743 F744 A745D612-R614 IonicContact OD2-CZ 2.94Å; D612-R614 IonicContact OD2-NE 3.05Å; D612-R614 PolarHBondContact OD2-NE 2.92Å; D612-R614 IonicContact OD2-NH2 4Å; D612-R614 PolarHBondContact OD2-NH2 3.08Å; R614-V616 HydrophobicContact CB-CG2 4.17Å; R614-E632 IonicContact NH1-OE2 2.64Å; R614-E632 IonicContact NH2-OE2 3.16Å; R614-E632 PolarHBondContact NH2-OE2 2.67Å; R614-V742 HydrophobicContact CG-CG1 4.25Å; R614-V743 PolarHBondContact N-O 2.85Å; R614-F744 HydrophobicContact CB-CD1 4.2Å; R614-F744 WeakPolarHBondContact O-CA 3.35Å; R614-A745 PolarHBondContact O-N 3.4Å
615V92.3Very high88.6Confident28 Ų2839.9 Ų39.917%0.1721%0.214CC..EExtended strand (participates in β ladder)trans-86.6125.6173.5179.90000107.9A745 P747 L771 I774V615-A745 CarbonylContact C-O 3.56Å; V615-A745 VanDerWaalsContact CA-O 3.25Å; V615-A745 WeakPolarHBondContact CA-O 3.16Å; V615-P747 HydrophobicContact CG1-CG 3.81Å; V615-L771 HydrophobicContact CG2-CD2 3.37Å; V615-I774 HydrophobicContact CB-CD1 4.25Å; V615-I774 HydrophobicContact CG1-CD1 3.69Å; V615-I774 HydrophobicContact CG2-CD1 3.69Å
616V91.4Very high88.6Confident1 Ų139.6 Ų39.61%0.00621%0.212CC..  trans-142.8122.9-171.1-169.20000107.9R614 E621 K622 A745 K746R614-V616 HydrophobicContact CB-CG2 4.17Å; V616-E621 WeakPolarHBondContact CA-OE2 3.5Å; V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.67Å; V616-E621 VanDerWaalsContact CG1-OE2 3.22Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.5Å; V616-K622 HydrophobicContact CB-CG 3.97Å; V616-K622 HydrophobicContact CG1-CB 4.17Å; V616-K622 HydrophobicContact CG1-CG 3.52Å; V616-K622 VanDerWaalsContact CG1-N 3.32Å; V616-A745 PolarHBondContact N-O 3.19Å; V616-K746 WeakPolarHBondContact O-CA 3.38Å
617A85.3Confident88.4Confident43 Ų4341.7 Ų41.736%0.35522%0.222SC..  trans-80.7-52.8-175.900000111.1E621 P747A617-E621 PolarHBondContact N-OE2 2.86Å; A617-P747 HydrophobicContact CB-CG 4.46Å
618D86.9Confident88.4Confident108 Ų10843 Ų4358%0.57823%0.232SC*.SBendtrans-106.7150-165.6-66-52000112.7E621 K622D618-E621 HydrophobicContact CB-CB 4.36Å; D618-E621 WeakPolarHBondContact O-CB 3.41Å; D618-E621 PolarHBondContact O-N 2.86Å; D618-K622 PolarHBondContact O-N 3.28Å
619E86.1Confident88.4Confident70 Ų7042.7 Ų42.733%0.32723%0.228SC..Hα-helixtrans-65.3-37.2-179.4-64.7-6413500113.5E621 K622 I623 Y710 K746E619-E621 VanDerWaalsContact C-N 3.31Å; E619-E621 PolarHBondContact O-N 3.12Å; E619-K622 WeakPolarHBondContact O-CB 3.32Å; E619-K622 PolarHBondContact O-N 2.92Å; E619-K622 WeakPolarHBondContact OE1-CE 3.4Å; E619-K622 IonicContact OE1-NZ 2.9Å; E619-K622 PolarHBondContact OE1-NZ 2.88Å; E619-K622 IonicContact OE2-NZ 2.82Å; E619-I623 WeakPolarHBondContact O-CG1 3.41Å; E619-I623 PolarHBondContact O-N 3.43Å; E619-I623 VanDerWaalsContact O-N 3.15Å; E619-Y710 VanDerWaalsContact OE2-CE1 3.23Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.34Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.3Å; E619-Y710 PolarHBondContact OE2-OH 3.4Å; E619-K746 WeakPolarHBondContact OE1-CE 3.36Å; E619-K746 IonicContact OE1-NZ 3.17Å; E619-K746 PolarHBondContact OE1-NZ 3.42Å
620P86.8Confident88Confident94 Ų9444 Ų4461%0.6124%0.235SC*.Hα-helixtrans-59.1-39.8169.7-25.636000113.1K622 I623 E624P620-K622 VanDerWaalsContact C-N 3.33Å; P620-K622 PolarHBondContact O-N 2.77Å; P620-I623 PolarHBondContact O-N 3.04Å; P620-I623 VanDerWaalsContact O-N 3.1Å; P620-E624 PolarHBondContact O-N 3.47Å
621E88.3Confident87.4Confident84 Ų8445.5 Ų45.539%0.39325%0.254SS..Hα-helixtrans-64.3-37.6177.4-166.6-170.5-148.900111.1V616 A617 D618 E619 I623 E624 H625V616-E621 WeakPolarHBondContact CA-OE2 3.5Å; V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.67Å; V616-E621 VanDerWaalsContact CG1-OE2 3.22Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.5Å; A617-E621 PolarHBondContact N-OE2 2.86Å; D618-E621 HydrophobicContact CB-CB 4.36Å; D618-E621 WeakPolarHBondContact O-CB 3.41Å; D618-E621 PolarHBondContact O-N 2.86Å; E619-E621 VanDerWaalsContact C-N 3.31Å; E619-E621 PolarHBondContact O-N 3.12Å; E621-I623 VanDerWaalsContact C-N 3.32Å; E621-I623 PolarHBondContact O-N 3.01Å; E621-E624 PolarHBondContact O-N 3.33Å; E621-H625 PolarHBondContact O-CD2 3.04Å; E621-H625 PolarHBondContact O-N 3.28Å
622K89.8Confident86.6Confident1 Ų150.2 Ų50.20%0.00428%0.276CS..Hα-helixtrans-61.2-39.1171.1-73.8-174.8-179.9174.30112.2V616 D618 E619 P620 L626 Y710 S711 F744V616-K622 HydrophobicContact CB-CG 3.97Å; V616-K622 HydrophobicContact CG1-CB 4.17Å; V616-K622 HydrophobicContact CG1-CG 3.52Å; V616-K622 VanDerWaalsContact CG1-N 3.32Å; D618-K622 PolarHBondContact O-N 3.28Å; E619-K622 WeakPolarHBondContact O-CB 3.32Å; E619-K622 PolarHBondContact O-N 2.92Å; E619-K622 WeakPolarHBondContact OE1-CE 3.4Å; E619-K622 IonicContact OE1-NZ 2.9Å; E619-K622 PolarHBondContact OE1-NZ 2.88Å; E619-K622 IonicContact OE2-NZ 2.82Å; P620-K622 VanDerWaalsContact C-N 3.33Å; P620-K622 PolarHBondContact O-N 2.77Å; K622-L626 WeakPolarHBondContact O-CB 3.29Å; K622-L626 PolarHBondContact O-N 2.91Å; K622-Y710 HydrophobicContact CB-CE2 4.06Å; K622-Y710 HydrophobicContact CD-CD1 4.42Å; K622-Y710 HydrophobicContact CD-CE1 3.79Å; K622-Y710 HydrophobicContact CD-CE2 3.98Å; K622-Y710 WeakPolarHBondContact CE-O 3.24Å; K622-Y710 PolarHBondContact NZ-O 3.11Å; K622-S711 PolarHBondContact NZ-OG 3.44Å; K622-S711 VanDerWaalsContact NZ-OG 3.12Å; K622-F744 HydrophobicContact CB-CD2 4.11Å; K622-F744 HydrophobicContact CB-CE2 4.3Å; K622-F744 HydrophobicContact CD-CD2 4.13Å; K622-F744 HydrophobicContact CG-CD2 3.98Å
623I88.1Confident85.7Confident18 Ų1851 Ų519%0.09228%0.275CS..Hα-helixtrans-68.6-38.3178.1-61.8-61.1000111E619 P620 E621 L626 K627 L654 I661 Y710E619-I623 WeakPolarHBondContact O-CG1 3.41Å; E619-I623 PolarHBondContact O-N 3.43Å; E619-I623 VanDerWaalsContact O-N 3.15Å; P620-I623 PolarHBondContact O-N 3.04Å; P620-I623 VanDerWaalsContact O-N 3.1Å; E621-I623 VanDerWaalsContact C-N 3.32Å; E621-I623 PolarHBondContact O-N 3.01Å; I623-L626 PolarHBondContact O-N 3.48Å; I623-K627 HydrophobicContact CG2-CD 4.47Å; I623-K627 WeakPolarHBondContact O-CG 3.27Å; I623-K627 PolarHBondContact O-N 3.42Å; I623-L654 HydrophobicContact CD1-CD1 3.53Å; I623-I661 HydrophobicContact CG2-CD1 4.13Å; I623-Y710 HydrophobicContact CD1-CE2 4.48Å
624E87.4Confident83.7Confident101 Ų10161.2 Ų61.247%0.47231%0.312SS..Hα-helixtrans-68.6-41.7173.2-59.3-42.8122.200112.6P620 E621 L626 K627 A628P620-E624 PolarHBondContact O-N 3.47Å; E621-E624 PolarHBondContact O-N 3.33Å; E624-L626 VanDerWaalsContact C-N 3.25Å; E624-L626 PolarHBondContact O-N 2.97Å; E624-K627 WeakPolarHBondContact O-CB 3.33Å; E624-K627 PolarHBondContact O-N 2.97Å; E624-K627 IonicContact OE1-NZ 2.75Å; E624-K627 PolarHBondContact OE1-NZ 3.2Å; E624-K627 WeakPolarHBondContact OE2-CD 3.29Å; E624-K627 IonicContact OE2-NZ 3.09Å; E624-K627 PolarHBondContact OE2-NZ 3.18Å; E624-A628 WeakPolarHBondContact O-CB 3.36Å; E624-A628 PolarHBondContact O-N 3.46Å
625H87.9Confident81.9Confident61 Ų6163.8 Ų63.828%0.28233%0.328SS..Hα-helixtrans-62.7-32.2172.2-84.3-57.4000113.2E621 L629 F744E621-H625 PolarHBondContact O-CD2 3.04Å; E621-H625 PolarHBondContact O-N 3.28Å; H625-L629 WeakPolarHBondContact O-CB 3.49Å; H625-L629 PolarHBondContact O-N 2.98Å; H625-F744 HydrophobicContact CB-CE1 4.5Å; H625-F744 HydrophobicContact CB-CZ 4.27Å
626L88Confident80.1Confident0 Ų063.5 Ų63.50%033%0.325CS..Hα-helixtrans-71.6-43.5174.5178.754.4000111.8K622 I623 E624 A628 L629 I630 M643 L654 L658 I708 F744K622-L626 WeakPolarHBondContact O-CB 3.29Å; K622-L626 PolarHBondContact O-N 2.91Å; I623-L626 PolarHBondContact O-N 3.48Å; E624-L626 VanDerWaalsContact C-N 3.25Å; E624-L626 PolarHBondContact O-N 2.97Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 2.89Å; L626-L629 PolarHBondContact O-N 2.91Å; L626-I630 HydrophobicContact CD1-CD1 3.83Å; L626-I630 HydrophobicContact CD1-CG1 4.2Å; L626-I630 HydrophobicContact CG-CD1 3.96Å; L626-I630 WeakPolarHBondContact O-CB 3.45Å; L626-I630 WeakPolarHBondContact O-CD1 3.17Å; L626-I630 VanDerWaalsContact O-CG1 3.24Å; L626-I630 WeakPolarHBondContact O-CG1 3.46Å; L626-I630 PolarHBondContact O-N 3.25Å; L626-M643 HydrophobicContact CD1-CE 3.4Å; L626-M643 VanDerWaalsContact CD1-CE 3.4Å; L626-M643 HydrophobicContact CD2-CE 3.58Å; L626-M643 HydrophobicContact CD2-SD 4.46Å; L626-M643 HydrophobicContact CG-CE 4.15Å; L626-L654 HydrophobicContact CD2-CD1 4.49Å; L626-L658 HydrophobicContact CD2-CD2 3.7Å; L626-L658 HydrophobicContact CG-CD2 4.42Å; L626-I708 HydrophobicContact CD1-CD1 3.95Å; L626-F744 HydrophobicContact CB-CE2 4.24Å; L626-F744 HydrophobicContact CB-CZ 4.26Å
627K83.7Confident78.2Confident72 Ų7266.4 Ų66.431%0.31335%0.349SS..Hα-helixtrans-56.6-46.9170.3-76.4161.4167.7177.20111.4I623 E624 I630 A631 I661I623-K627 HydrophobicContact CG2-CD 4.47Å; I623-K627 WeakPolarHBondContact O-CG 3.27Å; I623-K627 PolarHBondContact O-N 3.42Å; E624-K627 WeakPolarHBondContact O-CB 3.33Å; E624-K627 PolarHBondContact O-N 2.97Å; E624-K627 IonicContact OE1-NZ 2.75Å; E624-K627 PolarHBondContact OE1-NZ 3.2Å; E624-K627 WeakPolarHBondContact OE2-CD 3.29Å; E624-K627 IonicContact OE2-NZ 3.09Å; E624-K627 PolarHBondContact OE2-NZ 3.18Å; K627-I630 PolarHBondContact O-N 3.38Å; K627-A631 WeakPolarHBondContact O-CB 3.48Å; K627-A631 PolarHBondContact O-N 3.01Å; K627-I661 HydrophobicContact CD-CD1 4.23Å; K627-I661 HydrophobicContact CG-CD1 3.62Å
628A85.5Confident76.9Confident38 Ų3869.5 Ų69.531%0.31436%0.36SS..Hα-helixtrans-59.5-50.1177.400000111.2E624 L626 I630 A631 E632E624-A628 WeakPolarHBondContact O-CB 3.36Å; E624-A628 PolarHBondContact O-N 3.46Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 2.89Å; A628-I630 VanDerWaalsContact C-N 3.27Å; A628-I630 PolarHBondContact O-N 3.05Å; A628-A631 PolarHBondContact O-N 3.45Å; A628-A631 VanDerWaalsContact O-N 3.12Å; A628-E632 VanDerWaalsContact O-CB 3.31Å; A628-E632 WeakPolarHBondContact O-CB 3.13Å; A628-E632 WeakPolarHBondContact O-CG 3.04Å; A628-E632 PolarHBondContact O-N 3.35Å
629L84.7Confident76.3Confident2 Ų267.2 Ų67.21%0.0135%0.345CS..Hα-helixtrans-59.5-35.1177.3-179.163.7000113.1H625 L626 L706 I708 V742H625-L629 WeakPolarHBondContact O-CB 3.49Å; H625-L629 PolarHBondContact O-N 2.98Å; L626-L629 PolarHBondContact O-N 2.91Å; L629-L706 HydrophobicContact CD2-CD2 4.33Å; L629-L706 HydrophobicContact CG-CD2 4.38Å; L629-I708 HydrophobicContact CD2-CD1 3.71Å; L629-I708 HydrophobicContact CD2-CG1 3.95Å; L629-V742 HydrophobicContact CD1-CG2 4.16Å; L629-V742 HydrophobicContact CD2-CB 4.23Å; L629-V742 HydrophobicContact CD2-CG1 4.21Å; L629-V742 HydrophobicContact CD2-CG2 4.03Å
630I78.4Confident76.1Confident33 Ų3365 Ų6517%0.16934%0.337CS..Hα-helixtrans-71.6-40.5175.7-68.7165.7000111.3L626 K627 A628 F636 V663L626-I630 HydrophobicContact CD1-CD1 3.83Å; L626-I630 HydrophobicContact CD1-CG1 4.2Å; L626-I630 HydrophobicContact CG-CD1 3.96Å; L626-I630 WeakPolarHBondContact O-CB 3.45Å; L626-I630 WeakPolarHBondContact O-CD1 3.17Å; L626-I630 VanDerWaalsContact O-CG1 3.24Å; L626-I630 WeakPolarHBondContact O-CG1 3.46Å; L626-I630 PolarHBondContact O-N 3.25Å; K627-I630 PolarHBondContact O-N 3.38Å; A628-I630 VanDerWaalsContact C-N 3.27Å; A628-I630 PolarHBondContact O-N 3.05Å; I630-F636 HydrophobicContact CB-CD2 4.16Å; I630-F636 HydrophobicContact CB-CE2 4.23Å; I630-F636 HydrophobicContact CG1-CD2 4.15Å; I630-F636 HydrophobicContact CG1-CE1 4.36Å; I630-F636 HydrophobicContact CG1-CE2 3.75Å; I630-F636 HydrophobicContact CG1-CZ 3.86Å; I630-F636 HydrophobicContact CG2-CB 4.4Å; I630-F636 HydrophobicContact CG2-CD2 4.19Å; I630-F636 HydrophobicContact CG2-CG 4.15Å; I630-V663 HydrophobicContact CD1-CG1 4.3Å; I630-V663 HydrophobicContact CD1-CG2 4.21Å
631A76.9Confident76.1Confident74 Ų7460.6 Ų60.661%0.61231%0.308SS*.Hα-helixtrans-78.6-36-178.300000114.1K627 A628 R633K627-A631 WeakPolarHBondContact O-CB 3.48Å; K627-A631 PolarHBondContact O-N 3.01Å; A628-A631 PolarHBondContact O-N 3.45Å; A628-A631 VanDerWaalsContact O-N 3.12Å; A631-R633 VanDerWaalsContact C-N 3.29Å; A631-R633 PolarHBondContact O-N 3.5Å
632E74.7Confident76.3Confident118 Ų11856.6 Ų56.655%0.55129%0.29SS*.Hα-helixtrans-55.4-45.9174.5-79.1164.5-174.300110.8R614 A628 R634R614-E632 IonicContact NH1-OE2 2.64Å; R614-E632 IonicContact NH2-OE2 3.16Å; R614-E632 PolarHBondContact NH2-OE2 2.67Å; A628-E632 VanDerWaalsContact O-CB 3.31Å; A628-E632 WeakPolarHBondContact O-CB 3.13Å; A628-E632 WeakPolarHBondContact O-CG 3.04Å; A628-E632 PolarHBondContact O-N 3.35Å; E632-R634 PolarHBondContact O-N 3.28Å
633R71.4Confident76.6Confident60 Ų6056.5 Ų56.523%0.22629%0.289CS..SBendtrans-78.584.5174.7-79-176.8175.5-110.50.4110.4A631 N635 F636 E639A631-R633 VanDerWaalsContact C-N 3.29Å; A631-R633 PolarHBondContact O-N 3.5Å; R633-N635 PolarHBondContact O-N 3.22Å; R633-F636 HydrophobicContact CB-CD2 3.86Å; R633-F636 PolarHBondContact O-N 3.46Å; R633-E639 IonicContact CZ-OE2 3.95Å; R633-E639 IonicContact NH1-OE2 2.64Å; R633-E639 PolarHBondContact NH1-OE2 3.01Å
634R52.3Low77Confident239 Ų23955.7 Ų55.790%0.90229%0.285SS*.THydrogen-bonded Turntrans-48.4-13.3174.5-62.9-177.5179.1-177.7-1.1116.1E632E632-R634 PolarHBondContact O-N 3.28Å
635N53Low77.3Confident95 Ų9550.9 Ų50.951%0.50826%0.263SS..THydrogen-bonded Turntrans-112.816.3177.4-86.4-11.6000114.7R633 A637 N638 E639R633-N635 PolarHBondContact O-N 3.22Å; N635-A637 PolarHBondContact O-N 2.68Å; N635-N638 PolarHBondContact O-N 3.1Å; N635-E639 PolarHBondContact O-N 2.86Å
636F54.4Low77.4Confident21 Ų2150.1 Ų50.19%0.09226%0.264CS..G310 helixtrans-54.4-27.2174.5-132.6-72.2000112.5I630 R633 N638 E639 A641 S686 L706I630-F636 HydrophobicContact CB-CD2 4.16Å; I630-F636 HydrophobicContact CB-CE2 4.23Å; I630-F636 HydrophobicContact CG1-CD2 4.15Å; I630-F636 HydrophobicContact CG1-CE1 4.36Å; I630-F636 HydrophobicContact CG1-CE2 3.75Å; I630-F636 HydrophobicContact CG1-CZ 3.86Å; I630-F636 HydrophobicContact CG2-CB 4.4Å; I630-F636 HydrophobicContact CG2-CD2 4.19Å; I630-F636 HydrophobicContact CG2-CG 4.15Å; R633-F636 HydrophobicContact CB-CD2 3.86Å; R633-F636 PolarHBondContact O-N 3.46Å; F636-N638 PolarHBondContact O-N 3.42Å; F636-E639 PolarHBondContact O-N 3.33Å; F636-A641 HydrophobicContact CE1-CB 3.61Å; F636-A641 HydrophobicContact CZ-CB 3.58Å; F636-S686 WeakPolarHBondContact O-CA 3.49Å; F636-L706 HydrophobicContact CE2-CD2 3.59Å; F636-L706 HydrophobicContact CZ-CD2 3.72Å
637A51.6Low77.5Confident62 Ų6253.3 Ų53.351%0.51228%0.281SS..G310 helixtrans-59.3-10.1170.700000115.3N635 S686N635-A637 PolarHBondContact O-N 2.68Å; A637-S686 WeakPolarHBondContact O-CB 3.39Å; A637-S686 PolarHBondContact O-OG 3.46Å
638N59.1Low77.9Confident109 Ų10952.7 Ų52.758%0.58329%0.286SS*.G310 helixtrans-135.1-1-178.9-67.7-54.5000113.9N635 F636 P685N635-N638 PolarHBondContact O-N 3.1Å; F636-N638 PolarHBondContact O-N 3.42Å; N638-P685 CarbonylContact C-O 3.57Å
639E73.7Confident78.3Confident60 Ų6055 Ų5528%0.2830%0.296SS..SBendtrans-116.3115.7-172.5-80.4-172.3-165.600112.1R633 N635 F636 A641 P685 P705R633-E639 IonicContact CZ-OE2 3.95Å; R633-E639 IonicContact NH1-OE2 2.64Å; R633-E639 PolarHBondContact NH1-OE2 3.01Å; N635-E639 PolarHBondContact O-N 2.86Å; F636-E639 PolarHBondContact O-N 3.33Å; E639-A641 PolarHBondContact O-N 2.74Å; E639-P685 CarbonylContact C-O 3.13Å; E639-P685 PolarHBondContact N-O 3.04Å; E639-P705 HydrophobicContact CB-CG 3.72Å; E639-P705 HydrophobicContact CG-CG 3.93Å
640P81.8Confident78.6Confident23 Ų2356.1 Ų56.115%0.14930%0.302CS..  trans-75121.8-175.426.7-32.9000111.6W680 P685 P705P640-W680 HydrophobicContact CB-CH2 4Å; P640-W680 HydrophobicContact CB-CZ2 3.56Å; P640-P685 WeakPolarHBondContact CA-O 3.5Å; P640-P685 WeakPolarHBondContact CD-O 3.19Å; P640-P705 WeakPolarHBondContact O-CD 3.22Å
641A88Confident79.4Confident1 Ų154.6 Ų54.61%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-108.8139.8178.600000111.5F636 E639 G687 L688 L689 L706F636-A641 HydrophobicContact CE1-CB 3.61Å; F636-A641 HydrophobicContact CZ-CB 3.58Å; E639-A641 PolarHBondContact O-N 2.74Å; A641-G687 PolarHBondContact N-O 3.1Å; A641-L688 HydrophobicContact CB-CD1 3.69Å; A641-L689 PolarHBondContact O-N 3.3Å; A641-L706 HydrophobicContact CB-CB 4.21Å; A641-L706 HydrophobicContact CB-CD2 4.21Å; A641-L706 HydrophobicContact CB-CG 4.39Å
642V92.9Very high80.1Confident0 Ų055.6 Ų55.60%029%0.288CS..EExtended strand (participates in β ladder)trans-112.4136.8172.2-177.50000109.2W680 L689 V691 C701 I704 L706 L707 I708 L725V642-W680 HydrophobicContact CG2-CH2 3.71Å; V642-W680 HydrophobicContact CG2-CZ2 4.27Å; V642-L689 HydrophobicContact CG2-CB 4.48Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; V642-V691 HydrophobicContact CG1-CG1 4.44Å; V642-V691 HydrophobicContact CG1-CG2 3.9Å; V642-C701 HydrophobicContact CG2-CB 4.23Å; V642-I704 HydrophobicContact CB-CD1 4.44Å; V642-I704 HydrophobicContact CG2-CD1 4.31Å; V642-I704 HydrophobicContact CG2-CG2 3.8Å; V642-L706 PolarHBondContact N-O 3.07Å; V642-L706 VanDerWaalsContact N-O 3.14Å; V642-L707 HydrophobicContact CB-CD1 4.16Å; V642-L707 HydrophobicContact CG1-CD1 4.27Å; V642-L707 CarbonylContact O-C 3.52Å; V642-L707 WeakPolarHBondContact O-CA 3.42Å; V642-I708 PolarHBondContact O-N 2.88Å; V642-L725 HydrophobicContact CB-CD1 4.48Å; V642-L725 HydrophobicContact CG1-CD1 3.91Å
643M94.3Very high81Confident0 Ų054.7 Ų54.70%029%0.287CS..EExtended strand (participates in β ladder)trans-124.5124.4177.1-177-179.4-73.600110.5L626 L654 L688 L689 L690 V691 I708 Y710L626-M643 HydrophobicContact CD1-CE 3.4Å; L626-M643 VanDerWaalsContact CD1-CE 3.4Å; L626-M643 HydrophobicContact CD2-CE 3.58Å; L626-M643 HydrophobicContact CD2-SD 4.46Å; L626-M643 HydrophobicContact CG-CE 4.15Å; M643-L654 HydrophobicContact SD-CD2 3.48Å; M643-L654 WeakPolarHBondContact SD-CD2 3.38Å; M643-L688 HydrophobicContact CB-CD1 4.08Å; M643-L688 HydrophobicContact CB-CG 4.47Å; M643-L688 HydrophobicContact CE-CD1 4.35Å; M643-L688 HydrophobicContact CE-CD2 3.9Å; M643-L688 HydrophobicContact SD-CD2 4.3Å; M643-L689 PolarHBondContact N-O 3.43Å; M643-L690 HydrophobicContact CB-CD2 3.96Å; M643-L690 HydrophobicContact CG-CD2 4.26Å; M643-L690 HydrophobicContact SD-CD2 3.73Å; M643-V691 PolarHBondContact O-N 2.78Å; M643-I708 CarbonylContact C-O 3.54Å; M643-I708 VanDerWaalsContact CA-O 3.27Å; M643-I708 WeakPolarHBondContact CA-O 3.31Å; M643-I708 HydrophobicContact CB-CB 4.2Å; M643-I708 HydrophobicContact CE-CB 3.98Å; M643-I708 HydrophobicContact CE-CD1 3.65Å; M643-I708 HydrophobicContact CE-CG1 4.42Å; M643-I708 HydrophobicContact CE-CG2 3.75Å; M643-I708 HydrophobicContact CG-CB 4.02Å; M643-I708 HydrophobicContact CG-CG2 4.17Å; M643-Y710 HydrophobicContact SD-CD2 3.93Å; M643-Y710 HydrophobicContact SD-CG 4.29Å
644V96.4Very high81.9Confident0 Ų052.1 Ų52.10%028%0.277CS..EExtended strand (participates in β ladder)trans-103.5117.6-178.9-164.20000110.2V691 V696 L707 I708 Y710 R722 L725V644-V691 WeakPolarHBondContact CA-O 3.42Å; V644-V691 HydrophobicContact CB-CG2 4.27Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.83Å; V644-V696 HydrophobicContact CG1-CG2 4.31Å; V644-V696 HydrophobicContact CG2-CG2 4.46Å; V644-L707 HydrophobicContact CG2-CD1 3.9Å; V644-I708 PolarHBondContact N-O 3.23Å; V644-Y710 PolarHBondContact O-N 3.26Å; V644-Y710 VanDerWaalsContact O-N 3.16Å; V644-R722 HydrophobicContact CB-CG 4.36Å; V644-R722 HydrophobicContact CG1-CG 4.1Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.43Å; V644-R722 HydrophobicContact CG2-CG 4.19Å; V644-R722 PolarHBondContact O-NH1 3.34Å; V644-L725 HydrophobicContact CG2-CD1 4.5Å
645C94.6Very high83.8Confident0 Ų045 Ų450%025%0.25CS..EExtended strand (participates in β ladder)trans-96.1163.6171.4-61.60000110.5E650 V651 V691C645-E650 HydrophobicContact CB-CB 4.28Å; C645-E650 HydrophobicContact CB-CG 4.02Å; C645-E650 WeakPolarHBondContact CB-OE2 3.49Å; C645-V651 HydrophobicContact CB-CG2 3.57Å; C645-V691 PolarHBondContact N-O 3.27Å
646S89.4Confident85.6Confident46 Ų4648.7 Ų48.732%0.32226%0.257SS..SBendtrans-71.5-35.917865.50000113.2E650S646-E650 WeakPolarHBondContact CB-OE2 3.18Å; S646-E650 PolarHBondContact N-OE2 3.03Å; S646-E650 PolarHBondContact OG-OE2 2.86Å
647N90.3Very high87.2Confident67 Ų6750.2 Ų50.236%0.35827%0.271SS..SBendtrans-152.6168.8-173.969.978.4000112.8T649 E650 V651N647-T649 WeakPolarHBondContact OD1-CA 3.49Å; N647-T649 VanDerWaalsContact OD1-CB 3.26Å; N647-T649 WeakPolarHBondContact OD1-CB 3.35Å; N647-T649 PolarHBondContact OD1-N 3.05Å; N647-E650 PolarHBondContact O-N 3.16Å; N647-E650 PolarHBondContact OD1-N 3.38Å; N647-V651 PolarHBondContact O-N 3.48Å
648S92.4Very high88.9Confident58 Ų5847.3 Ų47.341%0.40625%0.246SC..Hα-helixtrans-70.3-30.4-176.449.70000114.2V651 L652S648-V651 PolarHBondContact O-N 3.12Å; S648-L652 WeakPolarHBondContact O-CG 3.41Å; S648-L652 PolarHBondContact O-N 2.96Å
649T93.1Very high90.3Very high86 Ų8646.4 Ų46.453%0.52824%0.239SC..Hα-helixtrans-66-43.4175.5-51.80000110.8N647 V651 L652 L653N647-T649 WeakPolarHBondContact OD1-CA 3.49Å; N647-T649 VanDerWaalsContact OD1-CB 3.26Å; N647-T649 WeakPolarHBondContact OD1-CB 3.35Å; N647-T649 PolarHBondContact OD1-N 3.05Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 3.01Å; T649-L652 PolarHBondContact O-N 3.22Å; T649-L653 HydrophobicContact CG2-CD1 4.24Å; T649-L653 WeakPolarHBondContact O-CG 3.29Å; T649-L653 PolarHBondContact O-N 3.24Å
650E92.8Very high90.9Very high27 Ų2747.8 Ų47.813%0.12626%0.26CS..Hα-helixtrans-58.9-43.7173.7-175.4175.4-141.400111.4C645 S646 N647 L652 L653 L654 Y710 S711C645-E650 HydrophobicContact CB-CB 4.28Å; C645-E650 HydrophobicContact CB-CG 4.02Å; C645-E650 WeakPolarHBondContact CB-OE2 3.49Å; S646-E650 WeakPolarHBondContact CB-OE2 3.18Å; S646-E650 PolarHBondContact N-OE2 3.03Å; S646-E650 PolarHBondContact OG-OE2 2.86Å; N647-E650 PolarHBondContact O-N 3.16Å; N647-E650 PolarHBondContact OD1-N 3.38Å; E650-L652 PolarHBondContact O-N 3.49Å; E650-L653 PolarHBondContact O-N 3.36Å; E650-L654 WeakPolarHBondContact O-CB 3.34Å; E650-L654 PolarHBondContact O-N 2.79Å; E650-Y710 HydrophobicContact CG-CD1 4.34Å; E650-Y710 HydrophobicContact CG-CE1 4.5Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.39Å; E650-S711 VanDerWaalsContact OE1-CB 3.24Å; E650-S711 WeakPolarHBondContact OE1-CB 3.33Å; E650-S711 PolarHBondContact OE1-OG 2.87Å
651V94.4Very high90.8Very high0 Ų049.5 Ų49.50%027%0.267CS..Hα-helixtrans-59.4-42.4174.2171.40000112.4C645 N647 S648 T649 R655 I667 V669 L690 T692C645-V651 HydrophobicContact CB-CG2 3.57Å; N647-V651 PolarHBondContact O-N 3.48Å; S648-V651 PolarHBondContact O-N 3.12Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 3.01Å; V651-R655 WeakPolarHBondContact O-CB 3.47Å; V651-R655 PolarHBondContact O-N 3.03Å; V651-I667 HydrophobicContact CG1-CB 4.39Å; V651-I667 HydrophobicContact CG1-CD1 3.74Å; V651-I667 HydrophobicContact CG1-CG1 3.7Å; V651-I667 HydrophobicContact CG1-CG2 3.93Å; V651-V669 HydrophobicContact CB-CG1 4.07Å; V651-V669 HydrophobicContact CG1-CG1 3.9Å; V651-V669 HydrophobicContact CG2-CG1 4.08Å; V651-L690 HydrophobicContact CG1-CB 3.7Å; V651-L690 HydrophobicContact CG1-CD1 4.14Å; V651-L690 HydrophobicContact CG2-CB 4.46Å; V651-T692 HydrophobicContact CG2-CG2 4.2Å
652L92.4Very high90.5Very high96 Ų9652.6 Ų52.650%0.50330%0.3SS..Hα-helixtrans-71-39.7-179.4-71.6171.7000112.9S648 T649 E650 R656 I667S648-L652 WeakPolarHBondContact O-CG 3.41Å; S648-L652 PolarHBondContact O-N 2.96Å; T649-L652 PolarHBondContact O-N 3.22Å; E650-L652 PolarHBondContact O-N 3.49Å; L652-R656 WeakPolarHBondContact O-CG 3.41Å; L652-R656 PolarHBondContact O-N 2.65Å; L652-I667 HydrophobicContact CD2-CD1 4.09Å
653L92Very high89.9Confident99 Ų9954 Ų5452%0.51831%0.308SS..Hα-helixtrans-65.5-49.3174.5-69.2172.8000110.7T649 E650 R655 R656 S657T649-L653 HydrophobicContact CG2-CD1 4.24Å; T649-L653 WeakPolarHBondContact O-CG 3.29Å; T649-L653 PolarHBondContact O-N 3.24Å; E650-L653 PolarHBondContact O-N 3.36Å; L653-R655 VanDerWaalsContact C-N 3.33Å; L653-R655 PolarHBondContact O-N 2.9Å; L653-R656 WeakPolarHBondContact O-CB 3.46Å; L653-R656 PolarHBondContact O-N 2.87Å; L653-S657 PolarHBondContact O-N 2.99Å; L653-S657 VanDerWaalsContact O-N 3.12Å; L653-S657 PolarHBondContact O-OG 3.25Å
654L92.1Very high89.2Confident5 Ų559.9 Ų59.93%0.02634%0.34CS..Hα-helixtrans-62.1-37.5-179.4-178.155.3000112.5I623 L626 M643 E650 R656 S657 L658 L690 Y710I623-L654 HydrophobicContact CD1-CD1 3.53Å; L626-L654 HydrophobicContact CD2-CD1 4.49Å; M643-L654 HydrophobicContact SD-CD2 3.48Å; M643-L654 WeakPolarHBondContact SD-CD2 3.38Å; E650-L654 WeakPolarHBondContact O-CB 3.34Å; E650-L654 PolarHBondContact O-N 2.79Å; L654-R656 VanDerWaalsContact C-N 3.31Å; L654-R656 PolarHBondContact O-N 2.69Å; L654-S657 PolarHBondContact O-N 2.71Å; L654-L658 HydrophobicContact CD1-CD1 4.19Å; L654-L658 HydrophobicContact CD1-CG 4.18Å; L654-L658 HydrophobicContact CG-CD1 3.94Å; L654-L658 HydrophobicContact CG-CG 4.42Å; L654-L658 WeakPolarHBondContact O-CB 3.41Å; L654-L658 VanDerWaalsContact O-CG 3.3Å; L654-L658 WeakPolarHBondContact O-CG 3.43Å; L654-L658 PolarHBondContact O-N 3.32Å; L654-L690 HydrophobicContact CD2-CD2 4.29Å; L654-Y710 HydrophobicContact CD1-CD2 4.32Å; L654-Y710 HydrophobicContact CD1-CE2 3.71Å; L654-Y710 HydrophobicContact CD2-CD1 4.1Å; L654-Y710 HydrophobicContact CD2-CD2 3.65Å; L654-Y710 HydrophobicContact CD2-CE1 4.3Å; L654-Y710 HydrophobicContact CD2-CE2 3.85Å; L654-Y710 HydrophobicContact CD2-CG 3.79Å; L654-Y710 HydrophobicContact CG-CE2 4.45Å
655R91.1Very high88.7Confident90 Ų9060.2 Ų60.234%0.3434%0.342SS..Hα-helixtrans-58.8-40.8172.5179.1170.3175.5168.44.2112.3V651 L653 L658 Q659 I667 L690V651-R655 WeakPolarHBondContact O-CB 3.47Å; V651-R655 PolarHBondContact O-N 3.03Å; L653-R655 VanDerWaalsContact C-N 3.33Å; L653-R655 PolarHBondContact O-N 2.9Å; R655-L658 PolarHBondContact O-N 3.36Å; R655-Q659 HydrophobicContact CG-CG 4.29Å; R655-Q659 WeakPolarHBondContact O-CB 3.45Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.4Å; R655-Q659 PolarHBondContact O-N 2.97Å; R655-I667 HydrophobicContact CB-CD1 4.11Å; R655-I667 HydrophobicContact CG-CD1 4.33Å; R655-L690 HydrophobicContact CB-CD1 3.92Å
656R90.9Very high88.4Confident173 Ų17361.6 Ų61.665%0.65335%0.349SS*.Hα-helixtrans-64.8-45.5177.3-65.7171.6-177.5176.80.8110.9L652 L653 L654 L658 Q659 A660L652-R656 WeakPolarHBondContact O-CG 3.41Å; L652-R656 PolarHBondContact O-N 2.65Å; L653-R656 WeakPolarHBondContact O-CB 3.46Å; L653-R656 PolarHBondContact O-N 2.87Å; L654-R656 VanDerWaalsContact C-N 3.31Å; L654-R656 PolarHBondContact O-N 2.69Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.5Å; R656-Q659 PolarHBondContact O-N 3.16Å; R656-A660 WeakPolarHBondContact O-CB 3.48Å; R656-A660 PolarHBondContact O-N 3.15Å
657S88.9Confident88.6Confident53 Ų5360.2 Ų60.237%0.37134%0.337SS..Hα-helixtrans-59.3-42.4175.7-54.70000112.2L653 L654 A660 I661L653-S657 PolarHBondContact O-N 2.99Å; L653-S657 VanDerWaalsContact O-N 3.12Å; L653-S657 PolarHBondContact O-OG 3.25Å; L654-S657 PolarHBondContact O-N 2.71Å; S657-A660 PolarHBondContact O-N 3Å; S657-I661 PolarHBondContact O-N 2.9Å
658L86.9Confident88.6Confident0 Ų057 Ų570%032%0.32CS..Hα-helixtrans-66.5-44.1177.1-73.8167.6000112.5L626 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690L626-L658 HydrophobicContact CD2-CD2 3.7Å; L626-L658 HydrophobicContact CG-CD2 4.42Å; L654-L658 HydrophobicContact CD1-CD1 4.19Å; L654-L658 HydrophobicContact CD1-CG 4.18Å; L654-L658 HydrophobicContact CG-CD1 3.94Å; L654-L658 HydrophobicContact CG-CG 4.42Å; L654-L658 WeakPolarHBondContact O-CB 3.41Å; L654-L658 VanDerWaalsContact O-CG 3.3Å; L654-L658 WeakPolarHBondContact O-CG 3.43Å; L654-L658 PolarHBondContact O-N 3.32Å; R655-L658 PolarHBondContact O-N 3.36Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.5Å; L658-A660 VanDerWaalsContact C-N 3.31Å; L658-A660 PolarHBondContact O-N 2.69Å; L658-I661 HydrophobicContact CD2-CD1 4.22Å; L658-I661 CarbonylContact O-C 3.53Å; L658-I661 WeakPolarHBondContact O-CG1 3.31Å; L658-I661 PolarHBondContact O-N 2.96Å; L658-I661 VanDerWaalsContact O-N 3.12Å; L658-G662 PolarHBondContact O-N 3.16Å; L658-V663 CarbonylContact C-O 3.3Å; L658-V663 HydrophobicContact CB-CB 4.15Å; L658-V663 HydrophobicContact CB-CG1 4.39Å; L658-V663 HydrophobicContact CD2-CB 3.97Å; L658-V663 HydrophobicContact CD2-CG1 3.89Å; L658-V663 HydrophobicContact CD2-CG2 4.46Å; L658-V663 PolarHBondContact O-N 2.83Å; L658-A665 HydrophobicContact CD1-CB 4.07Å; L658-L688 HydrophobicContact CD1-CD2 3.74Å; L658-L690 HydrophobicContact CD1-CD1 4.22Å; L658-L690 HydrophobicContact CD1-CD2 4.06Å
659Q87.3Confident88.5Confident91 Ų9156.3 Ų56.343%0.42531%0.314SS..Hα-helixtrans-62.8-38176.2-74.1177.1-53.300112R655 R656 I661 G662R655-Q659 HydrophobicContact CG-CG 4.29Å; R655-Q659 WeakPolarHBondContact O-CB 3.45Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.4Å; R655-Q659 PolarHBondContact O-N 2.97Å; R656-Q659 PolarHBondContact O-N 3.16Å; Q659-I661 PolarHBondContact O-N 3.08Å; Q659-G662 PolarHBondContact O-N 3.27Å; Q659-G662 VanDerWaalsContact O-N 3.12Å
660A87Confident88.3Confident88 Ų8854.8 Ų54.873%0.72731%0.307SS*.Hα-helixtrans-64.4-20.7175.800000113.8R656 S657 L658R656-A660 WeakPolarHBondContact O-CB 3.48Å; R656-A660 PolarHBondContact O-N 3.15Å; S657-A660 PolarHBondContact O-N 3Å; L658-A660 VanDerWaalsContact C-N 3.31Å; L658-A660 PolarHBondContact O-N 2.69Å
661I80.4Confident87.9Confident59 Ų5958 Ų5830%0.30332%0.321SS..THydrogen-bonded Turntrans-106.415.1175.667.4166.7000112.9I623 K627 S657 L658 Q659 V663I623-I661 HydrophobicContact CG2-CD1 4.13Å; K627-I661 HydrophobicContact CD-CD1 4.23Å; K627-I661 HydrophobicContact CG-CD1 3.62Å; S657-I661 PolarHBondContact O-N 2.9Å; L658-I661 HydrophobicContact CD2-CD1 4.22Å; L658-I661 CarbonylContact O-C 3.53Å; L658-I661 WeakPolarHBondContact O-CG1 3.31Å; L658-I661 PolarHBondContact O-N 2.96Å; L658-I661 VanDerWaalsContact O-N 3.12Å; Q659-I661 PolarHBondContact O-N 3.08Å; I661-V663 HydrophobicContact CD1-CG2 4.17Å; I661-V663 HydrophobicContact CG1-CB 4.45Å; I661-V663 HydrophobicContact CG1-CG2 4.09Å; I661-V663 PolarHBondContact O-N 2.99Å
662G79.9Confident87.4Confident67 Ų6762.1 Ų62.169%0.69136%0.355SS*.THydrogen-bonded Turntrans79.67.417600000115.9L658 Q659L658-G662 PolarHBondContact O-N 3.16Å; Q659-G662 PolarHBondContact O-N 3.27Å; Q659-G662 VanDerWaalsContact O-N 3.12Å
663V80.2Confident87.1Confident30 Ų3058.7 Ų58.718%0.18234%0.339CS..  trans-92.1112.9-179.9177.50000110.3I630 L658 I661I630-V663 HydrophobicContact CD1-CG1 4.3Å; I630-V663 HydrophobicContact CD1-CG2 4.21Å; L658-V663 CarbonylContact C-O 3.3Å; L658-V663 HydrophobicContact CB-CB 4.15Å; L658-V663 HydrophobicContact CB-CG1 4.39Å; L658-V663 HydrophobicContact CD2-CB 3.97Å; L658-V663 HydrophobicContact CD2-CG1 3.89Å; L658-V663 HydrophobicContact CD2-CG2 4.46Å; L658-V663 PolarHBondContact O-N 2.83Å; I661-V663 HydrophobicContact CD1-CG2 4.17Å; I661-V663 HydrophobicContact CG1-CB 4.45Å; I661-V663 HydrophobicContact CG1-CG2 4.09Å; I661-V663 PolarHBondContact O-N 2.99Å
664N79.8Confident86.8Confident123 Ų12357 Ų5766%0.65833%0.327SS*.  trans-76.6127.6173.7-78.2-41000111.3
665A86.6Confident86.4Confident6 Ų660.4 Ų60.45%0.0535%0.35CS..EExtended strand (participates in β ladder)trans-133.1129-178.500000112.1L658 L688 L690L658-A665 HydrophobicContact CD1-CB 4.07Å; A665-L688 CarbonylContact C-O 3.36Å; A665-L688 VanDerWaalsContact CA-O 3.31Å; A665-L688 WeakPolarHBondContact CA-O 3.43Å; A665-L688 HydrophobicContact CB-CB 4.3Å; A665-L688 HydrophobicContact CB-CD2 4.49Å; A665-L690 HydrophobicContact CB-CD1 4.05Å; A665-L690 HydrophobicContact CB-CG 4.03Å
666H89.2Confident86Confident30 Ų3058.4 Ų58.414%0.13935%0.347CS..EExtended strand (participates in β ladder)trans-83158.5171.7-66.6-107000110W680 L688 L689 L690H666-W680 HydrophobicContact CB-CB 4.1Å; H666-W680 HydrophobicContact CB-CG 4.43Å; H666-W680 AromaticContact CD2-CD1 3.71Å; H666-L688 PolarHBondContact N-O 3.39Å; H666-L689 HydrophobicContact CB-CD1 3.82Å; H666-L690 PolarHBondContact O-N 2.86Å
667I92.1Very high85.8Confident16 Ų1650.6 Ų50.68%0.08232%0.318CS..EExtended strand (participates in β ladder)trans-124.5135-178.7-72.6-179.4000110.3V651 L652 R655 V669 N676 L690V651-I667 HydrophobicContact CG1-CB 4.39Å; V651-I667 HydrophobicContact CG1-CD1 3.74Å; V651-I667 HydrophobicContact CG1-CG1 3.7Å; V651-I667 HydrophobicContact CG1-CG2 3.93Å; L652-I667 HydrophobicContact CD2-CD1 4.09Å; R655-I667 HydrophobicContact CB-CD1 4.11Å; R655-I667 HydrophobicContact CG-CD1 4.33Å; I667-V669 HydrophobicContact CG2-CG1 3.85Å; I667-V669 HydrophobicContact CG2-CG2 4.18Å; I667-N676 WeakPolarHBondContact O-CB 3.45Å; I667-N676 PolarHBondContact O-ND2 2.86Å; I667-L690 WeakPolarHBondContact CA-O 3.5Å; I667-L690 HydrophobicContact CG1-CB 4.4Å; I667-L690 HydrophobicContact CG1-CD1 4.44Å
668C91.6Very high85.4Confident0 Ų050.7 Ų50.70%032%0.322CS..EExtended strand (participates in β ladder)trans-137.1100.1162.4-177.90000110.5C673 V677 L689 L690 V691 V695C668-C673 HydrophobicContact CB-CB 4.16Å; C668-V677 HydrophobicContact CB-CG2 3.88Å; C668-L689 HydrophobicContact CB-CD1 4.31Å; C668-L690 PolarHBondContact N-O 2.72Å; C668-V691 HydrophobicContact CB-CG1 4.13Å; C668-V691 WeakPolarHBondContact O-CA 3.33Å; C668-V695 WeakPolarHBondContact O-CG2 3.41Å
669V90.4Very high85.1Confident44 Ų4453.9 Ų53.927%0.26734%0.337SS..  trans-109.4-8.7-178.7-68.80000114.2V651 I667 T692V651-V669 HydrophobicContact CB-CG1 4.07Å; V651-V669 HydrophobicContact CG1-CG1 3.9Å; V651-V669 HydrophobicContact CG2-CG1 4.08Å; I667-V669 HydrophobicContact CG2-CG1 3.85Å; I667-V669 HydrophobicContact CG2-CG2 4.18Å; V669-T692 HydrophobicContact CG1-CG2 4.15Å; V669-T692 PolarHBondContact O-OG1 2.91Å
670S89.3Confident85.1Confident54 Ų5449.6 Ų49.638%0.37832%0.317SS..SBendtrans-151.4168177.569.70000110.6A672 C673S670-A672 PolarHBondContact O-N 3.12Å; S670-C673 WeakPolarHBondContact O-CB 3.4Å; S670-C673 PolarHBondContact O-N 2.82Å
671E84Confident84.8Confident93 Ų9349.2 Ų49.244%0.43530%0.302SS..G310 helixtrans-62.5-29.1-179.2-53.1-143.5106.800113C673 Y674 R698E671-C673 PolarHBondContact O-N 2.89Å; E671-Y674 HydrophobicContact CB-CD2 3.98Å; E671-Y674 HydrophobicContact CB-CE2 3.46Å; E671-Y674 VanDerWaalsContact CB-CE2 3.46Å; E671-Y674 HydrophobicContact CG-CE2 3.71Å; E671-Y674 WeakPolarHBondContact CG-OH 3.18Å; E671-Y674 WeakPolarHBondContact O-CD2 3.4Å; E671-Y674 VanDerWaalsContact O-CG 3.32Å; E671-Y674 PolarHBondContact O-N 2.72Å; E671-Y674 VanDerWaalsContact O-N 3.14Å; E671-Y674 VanDerWaalsContact OE1-CE2 3.27Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.33Å; E671-Y674 PolarHBondContact OE1-OH 3.39Å; E671-R698 WeakPolarHBondContact OE1-CD 3.42Å; E671-R698 IonicContact OE1-CZ 3.73Å; E671-R698 IonicContact OE1-NE 3.61Å; E671-R698 IonicContact OE1-NH1 2.68Å; E671-R698 PolarHBondContact OE1-NH1 3.34Å; E671-R698 IonicContact OE2-CZ 2.7Å; E671-R698 IonicContact OE2-NH1 4Å; E671-R698 PolarHBondContact OE2-NH1 2.9Å
672A84.3Confident84.6Confident87 Ų8754.7 Ų54.772%0.71932%0.319SS*.G310 helixtrans-62.8-18.9173.600000113S670S670-A672 PolarHBondContact O-N 3.12Å
673C85.1Confident83.9Confident24 Ų2456.8 Ų56.816%0.16231%0.311CS..G310 helixtrans-92.64.1177.3-56.10000114.1C668 S670 E671 S675 N676C668-C673 HydrophobicContact CB-CB 4.16Å; S670-C673 WeakPolarHBondContact O-CB 3.4Å; S670-C673 PolarHBondContact O-N 2.82Å; E671-C673 PolarHBondContact O-N 2.89Å; C673-S675 PolarHBondContact O-N 2.9Å; C673-N676 WeakPolarHBondContact O-CB 3.25Å; C673-N676 PolarHBondContact O-N 2.84Å
674Y85.9Confident82.9Confident65 Ų6557 Ų5726%0.25531%0.313SS..Hα-helixtrans-62.3-24.1-179.9-69.1-36.7000113.6E671 N676 V677 A678 V695 R698 L699E671-Y674 HydrophobicContact CB-CD2 3.98Å; E671-Y674 HydrophobicContact CB-CE2 3.46Å; E671-Y674 VanDerWaalsContact CB-CE2 3.46Å; E671-Y674 HydrophobicContact CG-CE2 3.71Å; E671-Y674 WeakPolarHBondContact CG-OH 3.18Å; E671-Y674 WeakPolarHBondContact O-CD2 3.4Å; E671-Y674 VanDerWaalsContact O-CG 3.32Å; E671-Y674 PolarHBondContact O-N 2.72Å; E671-Y674 VanDerWaalsContact O-N 3.14Å; E671-Y674 VanDerWaalsContact OE1-CE2 3.27Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.33Å; E671-Y674 PolarHBondContact OE1-OH 3.39Å; Y674-N676 VanDerWaalsContact C-N 3.25Å; Y674-N676 PolarHBondContact O-N 3.25Å; Y674-V677 WeakPolarHBondContact O-CB 3.45Å; Y674-V677 PolarHBondContact O-N 2.61Å; Y674-V677 VanDerWaalsContact O-N 3.15Å; Y674-A678 PolarHBondContact O-N 3.41Å; Y674-V695 HydrophobicContact CE1-CB 4.13Å; Y674-V695 HydrophobicContact CE1-CG1 4.27Å; Y674-R698 WeakPolarHBondContact OH-CB 3.29Å; Y674-L699 HydrophobicContact CD1-CD1 4.19Å; Y674-L699 HydrophobicContact CE1-CD1 4.13Å
675S83Confident81.7Confident75 Ų7554.2 Ų54.252%0.52430%0.303SS..Hα-helixtrans-53.7-41.8168.144.50000112.3C673 V677 A678 E679C673-S675 PolarHBondContact O-N 2.9Å; S675-V677 PolarHBondContact O-N 3.18Å; S675-A678 CarbonylContact O-C 3.54Å; S675-A678 PolarHBondContact O-N 3.43Å; S675-A678 VanDerWaalsContact O-N 3.13Å; S675-E679 PolarHBondContact O-N 3.3Å
676N83.5Confident80.3Confident49 Ų4956.5 Ų56.526%0.26232%0.318SS..Hα-helixtrans-64.1-25.6-179.1-52.5-2.5000111.9I667 C673 Y674 W680I667-N676 WeakPolarHBondContact O-CB 3.45Å; I667-N676 PolarHBondContact O-ND2 2.86Å; C673-N676 WeakPolarHBondContact O-CB 3.25Å; C673-N676 PolarHBondContact O-N 2.84Å; Y674-N676 VanDerWaalsContact C-N 3.25Å; Y674-N676 PolarHBondContact O-N 3.25Å; N676-W680 VanDerWaalsContact O-CB 3.25Å; N676-W680 WeakPolarHBondContact O-CB 3.28Å; N676-W680 PolarHBondContact O-N 2.96Å
677V86.1Confident79.5Confident8 Ų855.3 Ų55.35%0.04831%0.314CS..Hα-helixtrans-74.3-43.3175.9-171.30000110.3C668 Y674 S675 E679 W680 L681 L689 L699C668-V677 HydrophobicContact CB-CG2 3.88Å; Y674-V677 WeakPolarHBondContact O-CB 3.45Å; Y674-V677 PolarHBondContact O-N 2.61Å; Y674-V677 VanDerWaalsContact O-N 3.15Å; S675-V677 PolarHBondContact O-N 3.18Å; V677-E679 PolarHBondContact O-N 2.99Å; V677-W680 HydrophobicContact CG1-CE3 3.99Å; V677-W680 HydrophobicContact CG1-CZ3 4.26Å; V677-W680 PolarHBondContact O-N 3.26Å; V677-L681 HydrophobicContact CG1-CD1 4.39Å; V677-L681 WeakPolarHBondContact O-CB 3.37Å; V677-L681 VanDerWaalsContact O-CG 3.3Å; V677-L681 WeakPolarHBondContact O-CG 3.46Å; V677-L681 PolarHBondContact O-N 3Å; V677-L689 HydrophobicContact CG1-CD2 4.26Å; V677-L689 HydrophobicContact CG2-CD2 4.26Å; V677-L699 HydrophobicContact CG2-CD1 3.76Å
678A81.6Confident79.2Confident55 Ų5554.7 Ų54.746%0.45531%0.311SS..Hα-helixtrans-72.1-13.817400000113.2Y674 S675 R682Y674-A678 PolarHBondContact O-N 3.41Å; S675-A678 CarbonylContact O-C 3.54Å; S675-A678 PolarHBondContact O-N 3.43Å; S675-A678 VanDerWaalsContact O-N 3.13Å; A678-R682 PolarHBondContact O-NE 3.47Å; A678-R682 PolarHBondContact O-NH2 3.39Å
679E80.9Confident79.2Confident68 Ų6854.7 Ų54.732%0.31831%0.311SS..Hα-helixtrans-85.6-50.7169.9-177.6171.4-131.200111.7S675 V677 L681 R682 Q683S675-E679 PolarHBondContact O-N 3.3Å; V677-E679 PolarHBondContact O-N 2.99Å; E679-L681 VanDerWaalsContact C-N 3.35Å; E679-L681 PolarHBondContact O-N 2.79Å; E679-R682 WeakPolarHBondContact O-CA 3.15Å; E679-R682 WeakPolarHBondContact O-CB 3.43Å; E679-R682 PolarHBondContact O-N 2.98Å; E679-Q683 HydrophobicContact CG-CG 4.11Å; E679-Q683 VanDerWaalsContact CG-NE2 3.32Å; E679-Q683 VanDerWaalsContact CG-OE1 3.28Å; E679-Q683 PolarHBondContact O-N 2.7Å; E679-Q683 PolarHBondContact OE1-NE2 2.86Å
680W85.9Confident79.4Confident0 Ų052.6 Ų52.60%030%0.298CS..Hα-helixtrans-48.9-52.6172.9166.160.7000111.9P640 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704P640-W680 HydrophobicContact CB-CH2 4Å; P640-W680 HydrophobicContact CB-CZ2 3.56Å; V642-W680 HydrophobicContact CG2-CH2 3.71Å; V642-W680 HydrophobicContact CG2-CZ2 4.27Å; H666-W680 HydrophobicContact CB-CB 4.1Å; H666-W680 HydrophobicContact CB-CG 4.43Å; H666-W680 AromaticContact CD2-CD1 3.71Å; N676-W680 VanDerWaalsContact O-CB 3.25Å; N676-W680 WeakPolarHBondContact O-CB 3.28Å; N676-W680 PolarHBondContact O-N 2.96Å; V677-W680 HydrophobicContact CG1-CE3 3.99Å; V677-W680 HydrophobicContact CG1-CZ3 4.26Å; V677-W680 PolarHBondContact O-N 3.26Å; W680-R682 PolarHBondContact O-N 3.37Å; W680-S684 CarbonylContact O-C 3.45Å; W680-S684 VanDerWaalsContact O-C 3.3Å; W680-S684 PolarHBondContact O-N 3.31Å; W680-G687 VanDerWaalsContact NE1-C 3.3Å; W680-G687 PolarHBondContact NE1-O 3.23Å; W680-L689 HydrophobicContact CD2-CB 3.87Å; W680-L689 HydrophobicContact CD2-CD1 4.44Å; W680-L689 HydrophobicContact CD2-CD2 4.31Å; W680-L689 HydrophobicContact CD2-CG 4.42Å; W680-L689 HydrophobicContact CE3-CB 4.18Å; W680-L689 HydrophobicContact CE3-CD2 3.8Å; W680-L689 HydrophobicContact CE3-CG 4.39Å; W680-L689 HydrophobicContact CG-CB 4.4Å; W680-L689 HydrophobicContact CG-CD1 4.5Å; W680-L689 HydrophobicContact CH2-CB 4.17Å; W680-L689 HydrophobicContact CH2-CD2 4.26Å; W680-L689 HydrophobicContact CZ2-CB 3.83Å; W680-L689 HydrophobicContact CZ3-CB 4.34Å; W680-L689 HydrophobicContact CZ3-CD2 3.78Å; W680-C701 HydrophobicContact CH2-CB 4.11Å; W680-C701 HydrophobicContact CZ3-CB 3.86Å; W680-I704 HydrophobicContact CH2-CG2 4.26Å
681L80.8Confident79.7Confident81 Ų8150 Ų5042%0.42428%0.28SS..Hα-helixtrans-61.4-13.2177.5-70.8172.6000115V677 E679 C701V677-L681 HydrophobicContact CG1-CD1 4.39Å; V677-L681 WeakPolarHBondContact O-CB 3.37Å; V677-L681 VanDerWaalsContact O-CG 3.3Å; V677-L681 WeakPolarHBondContact O-CG 3.46Å; V677-L681 PolarHBondContact O-N 3Å; E679-L681 VanDerWaalsContact C-N 3.35Å; E679-L681 PolarHBondContact O-N 2.79Å; L681-C701 WeakPolarHBondContact CD2-O 3.46Å
682R76.6Confident80.2Confident174 Ų17445.8 Ų45.866%0.65726%0.26SS*.Hα-helixtrans-110.1-38.9-174.6-165.3-159.9-38.8138.416.3112.8A678 E679 W680A678-R682 PolarHBondContact O-NE 3.47Å; A678-R682 PolarHBondContact O-NH2 3.39Å; E679-R682 WeakPolarHBondContact O-CA 3.15Å; E679-R682 WeakPolarHBondContact O-CB 3.43Å; E679-R682 PolarHBondContact O-N 2.98Å; W680-R682 PolarHBondContact O-N 3.37Å
683Q65.9Low80.7Confident110 Ų11041.9 Ų41.951%0.51423%0.228SC..Hα-helixtrans-89.8-32.9-177.6-71.8174.2-4.600112.5E679E679-Q683 HydrophobicContact CG-CG 4.11Å; E679-Q683 VanDerWaalsContact CG-NE2 3.32Å; E679-Q683 VanDerWaalsContact CG-OE1 3.28Å; E679-Q683 PolarHBondContact O-N 2.7Å; E679-Q683 PolarHBondContact OE1-NE2 2.86Å
684S57.4Low81Confident34 Ų3445.4 Ų45.424%0.23825%0.245CC..  trans-149.484.6-170.9-67.70000111.7W680 S686 G687W680-S684 CarbonylContact O-C 3.45Å; W680-S684 VanDerWaalsContact O-C 3.3Å; W680-S684 PolarHBondContact O-N 3.31Å; S684-S686 PolarHBondContact O-N 3.22Å; S684-S686 VanDerWaalsContact O-N 3.12Å; S684-G687 PolarHBondContact O-N 2.74Å
685P55.3Low81.3Confident66 Ų6642.4 Ų42.443%0.42923%0.233SC..THydrogen-bonded Turntrans-56.9-19.7159.827.4-35000111.7N638 E639 P640 G687N638-P685 CarbonylContact C-O 3.57Å; E639-P685 CarbonylContact C-O 3.13Å; E639-P685 PolarHBondContact N-O 3.04Å; P640-P685 WeakPolarHBondContact CA-O 3.5Å; P640-P685 WeakPolarHBondContact CD-O 3.19Å; P685-G687 VanDerWaalsContact C-N 3.3Å; P685-G687 PolarHBondContact O-N 3.44Å
686S58Low81.7Confident53 Ų5338.9 Ų38.937%0.37121%0.209SC..THydrogen-bonded Turntrans-70.1-10.9170.2-31.50000115.9F636 A637 S684F636-S686 WeakPolarHBondContact O-CA 3.49Å; A637-S686 WeakPolarHBondContact O-CB 3.39Å; A637-S686 PolarHBondContact O-OG 3.46Å; S684-S686 PolarHBondContact O-N 3.22Å; S684-S686 VanDerWaalsContact O-N 3.12Å
687G71.6Confident81.9Confident5 Ų540.6 Ų40.65%0.05222%0.222CC..  trans-89.5150.6-159.700000114.4A641 W680 S684 P685A641-G687 PolarHBondContact N-O 3.1Å; W680-G687 VanDerWaalsContact NE1-C 3.3Å; W680-G687 PolarHBondContact NE1-O 3.23Å; S684-G687 PolarHBondContact O-N 2.74Å; P685-G687 VanDerWaalsContact C-N 3.3Å; P685-G687 PolarHBondContact O-N 3.44Å
688L86.6Confident81.8Confident3 Ų348 Ų482%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-87.6131.8164.9-171.468.4000110.4A641 M643 L658 A665 H666 L690 I708A641-L688 HydrophobicContact CB-CD1 3.69Å; M643-L688 HydrophobicContact CB-CD1 4.08Å; M643-L688 HydrophobicContact CB-CG 4.47Å; M643-L688 HydrophobicContact CE-CD1 4.35Å; M643-L688 HydrophobicContact CE-CD2 3.9Å; M643-L688 HydrophobicContact SD-CD2 4.3Å; L658-L688 HydrophobicContact CD1-CD2 3.74Å; A665-L688 CarbonylContact C-O 3.36Å; A665-L688 VanDerWaalsContact CA-O 3.31Å; A665-L688 WeakPolarHBondContact CA-O 3.43Å; A665-L688 HydrophobicContact CB-CB 4.3Å; A665-L688 HydrophobicContact CB-CD2 4.49Å; H666-L688 PolarHBondContact N-O 3.39Å; L688-L690 HydrophobicContact CD2-CD2 3.69Å; L688-L690 HydrophobicContact CG-CD2 4.07Å; L688-I708 HydrophobicContact CD1-CD1 4.49Å
689L91.9Very high82.2Confident0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-105.7115.3170.5-177.771.7000110.6A641 V642 M643 H666 C668 V677 W680 V691 L699A641-L689 PolarHBondContact O-N 3.3Å; V642-L689 HydrophobicContact CG2-CB 4.48Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; M643-L689 PolarHBondContact N-O 3.43Å; H666-L689 HydrophobicContact CB-CD1 3.82Å; C668-L689 HydrophobicContact CB-CD1 4.31Å; V677-L689 HydrophobicContact CG1-CD2 4.26Å; V677-L689 HydrophobicContact CG2-CD2 4.26Å; W680-L689 HydrophobicContact CD2-CB 3.87Å; W680-L689 HydrophobicContact CD2-CD1 4.44Å; W680-L689 HydrophobicContact CD2-CD2 4.31Å; W680-L689 HydrophobicContact CD2-CG 4.42Å; W680-L689 HydrophobicContact CE3-CB 4.18Å; W680-L689 HydrophobicContact CE3-CD2 3.8Å; W680-L689 HydrophobicContact CE3-CG 4.39Å; W680-L689 HydrophobicContact CG-CB 4.4Å; W680-L689 HydrophobicContact CG-CD1 4.5Å; W680-L689 HydrophobicContact CH2-CB 4.17Å; W680-L689 HydrophobicContact CH2-CD2 4.26Å; W680-L689 HydrophobicContact CZ2-CB 3.83Å; W680-L689 HydrophobicContact CZ3-CB 4.34Å; W680-L689 HydrophobicContact CZ3-CD2 3.78Å; L689-V691 HydrophobicContact CD2-CG1 3.84Å; L689-V691 HydrophobicContact CG-CG1 3.77Å; L689-L699 HydrophobicContact CD2-CD2 4.36Å
690L94.1Very high82.4Confident0 Ų051.5 Ų51.50%025%0.254CS..EExtended strand (participates in β ladder)trans-88.1128.1173.8-51.9179.6000110.5M643 V651 L654 R655 L658 A665 H666 I667 C668 L688M643-L690 HydrophobicContact CB-CD2 3.96Å; M643-L690 HydrophobicContact CG-CD2 4.26Å; M643-L690 HydrophobicContact SD-CD2 3.73Å; V651-L690 HydrophobicContact CG1-CB 3.7Å; V651-L690 HydrophobicContact CG1-CD1 4.14Å; V651-L690 HydrophobicContact CG2-CB 4.46Å; L654-L690 HydrophobicContact CD2-CD2 4.29Å; R655-L690 HydrophobicContact CB-CD1 3.92Å; L658-L690 HydrophobicContact CD1-CD1 4.22Å; L658-L690 HydrophobicContact CD1-CD2 4.06Å; A665-L690 HydrophobicContact CB-CD1 4.05Å; A665-L690 HydrophobicContact CB-CG 4.03Å; H666-L690 PolarHBondContact O-N 2.86Å; I667-L690 WeakPolarHBondContact CA-O 3.5Å; I667-L690 HydrophobicContact CG1-CB 4.4Å; I667-L690 HydrophobicContact CG1-CD1 4.44Å; C668-L690 PolarHBondContact N-O 2.72Å; L688-L690 HydrophobicContact CD2-CD2 3.69Å; L688-L690 HydrophobicContact CG-CD2 4.07Å
691V95.6Very high82.2Confident0 Ų051.8 Ų51.80%026%0.256CS..EExtended strand (participates in β ladder)trans-138.9162.8-178.4-54.30000113V642 M643 V644 C645 C668 L689 V695 V696 L699V642-V691 HydrophobicContact CG1-CG1 4.44Å; V642-V691 HydrophobicContact CG1-CG2 3.9Å; M643-V691 PolarHBondContact O-N 2.78Å; V644-V691 WeakPolarHBondContact CA-O 3.42Å; V644-V691 HydrophobicContact CB-CG2 4.27Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.83Å; C645-V691 PolarHBondContact N-O 3.27Å; C668-V691 HydrophobicContact CB-CG1 4.13Å; C668-V691 WeakPolarHBondContact O-CA 3.33Å; L689-V691 HydrophobicContact CD2-CG1 3.84Å; L689-V691 HydrophobicContact CG-CG1 3.77Å; V691-V695 HydrophobicContact CB-CG2 3.79Å; V691-V695 HydrophobicContact CG1-CG2 4.26Å; V691-V696 HydrophobicContact CG2-CG2 4.32Å; V691-L699 HydrophobicContact CG1-CD2 3.89Å; V691-L699 HydrophobicContact CG2-CD2 4.41Å
692T94.8Very high82.3Confident4 Ų449.8 Ų49.83%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-102.3161.1167.148.50000111.4V651 V669 D694 V695V651-T692 HydrophobicContact CG2-CG2 4.2Å; V669-T692 HydrophobicContact CG1-CG2 4.15Å; V669-T692 PolarHBondContact O-OG1 2.91Å; T692-D694 PolarHBondContact O-N 3.13Å; T692-V695 VanDerWaalsContact O-CG2 3.31Å; T692-V695 WeakPolarHBondContact O-CG2 3.48Å; T692-V695 PolarHBondContact O-N 3.38Å
693D93.4Very high82.7Confident6 Ų646.5 Ų46.53%0.03225%0.245CC..THydrogen-bonded Turntrans-56.5-20.3175.5-80.7-60.9000114.5P697 A713 R722D693-P697 WeakPolarHBondContact O-CD 3.28Å; D693-A713 WeakPolarHBondContact OD2-CB 3.2Å; D693-R722 VanDerWaalsContact OD1-CG 3.26Å; D693-R722 WeakPolarHBondContact OD1-CG 3.44Å; D693-R722 IonicContact OD1-CZ 3.84Å; D693-R722 IonicContact OD1-NE 3.91Å; D693-R722 PolarHBondContact OD1-NE 3.43Å; D693-R722 IonicContact OD1-NH2 2.67Å; D693-R722 IonicContact OD2-CZ 3.46Å; D693-R722 IonicContact OD2-NE 3.23Å; D693-R722 PolarHBondContact OD2-NE 3.07Å; D693-R722 IonicContact OD2-NH2 3.03Å; D693-R722 PolarHBondContact OD2-NH2 3.03Å
694D91.4Very high83.7Confident97 Ų9741.3 Ų41.352%0.51922%0.221SC..THydrogen-bonded Turntrans-75.3-31.1-176.3-60.6-69.3000114T692 P697 R718T692-D694 PolarHBondContact O-N 3.13Å; D694-P697 WeakPolarHBondContact O-CD 3.24Å; D694-R718 IonicContact OD1-CZ 2.78Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.64Å; D694-R718 PolarHBondContact OD1-NH1 3.2Å; D694-R718 IonicContact OD1-NH2 3.49Å; D694-R718 PolarHBondContact OD1-NH2 3.41Å; D694-R718 IonicContact OD2-NH2 3.76Å; D694-R718 PolarHBondContact OD2-NH2 3.37Å
695V92.3Very high85.1Confident2 Ų241.3 Ų41.31%0.01222%0.22CC..THydrogen-bonded Turntrans-84.8-26.3176.8-66.50000112.7C668 Y674 V691 T692 R698 L699C668-V695 WeakPolarHBondContact O-CG2 3.41Å; Y674-V695 HydrophobicContact CE1-CB 4.13Å; Y674-V695 HydrophobicContact CE1-CG1 4.27Å; V691-V695 HydrophobicContact CB-CG2 3.79Å; V691-V695 HydrophobicContact CG1-CG2 4.26Å; T692-V695 VanDerWaalsContact O-CG2 3.31Å; T692-V695 WeakPolarHBondContact O-CG2 3.48Å; T692-V695 PolarHBondContact O-N 3.38Å; V695-R698 PolarHBondContact O-N 3.12Å; V695-R698 VanDerWaalsContact O-N 3.1Å; V695-L699 HydrophobicContact CB-CD1 4.46Å; V695-L699 HydrophobicContact CG2-CD1 4.35Å; V695-L699 WeakPolarHBondContact O-CB 3.39Å; V695-L699 PolarHBondContact O-N 3.5Å
696V91.9Very high86.7Confident2 Ų238.3 Ų38.31%0.01220%0.201CC..G310 helixtrans-45.8-46.3-176.9169.40000114.1V644 V691 R698 L699 N721 L725V644-V696 HydrophobicContact CG1-CG2 4.31Å; V644-V696 HydrophobicContact CG2-CG2 4.46Å; V691-V696 HydrophobicContact CG2-CG2 4.32Å; V696-R698 PolarHBondContact O-N 3.03Å; V696-L699 PolarHBondContact O-N 3.35Å; V696-N721 WeakPolarHBondContact CG1-O 3.21Å; V696-L725 HydrophobicContact CG1-CG 4.43Å
697P86.9Confident88.4Confident84 Ų8435.8 Ų35.855%0.54518%0.183SC..G310 helixtrans-62.7-14-175.6-20.331.5000115.6D693 D694D693-P697 WeakPolarHBondContact O-CD 3.28Å; D694-P697 WeakPolarHBondContact O-CD 3.24Å
698R85.9Confident89.5Confident163 Ų16335.6 Ų35.662%0.61518%0.181SC*.G310 helixtrans-126.7-6.5-178.2-71.2174.8174.5-1692.6113.3E671 Y674 V695 V696E671-R698 WeakPolarHBondContact OE1-CD 3.42Å; E671-R698 IonicContact OE1-CZ 3.73Å; E671-R698 IonicContact OE1-NE 3.61Å; E671-R698 IonicContact OE1-NH1 2.68Å; E671-R698 PolarHBondContact OE1-NH1 3.34Å; E671-R698 IonicContact OE2-CZ 2.7Å; E671-R698 IonicContact OE2-NH1 4Å; E671-R698 PolarHBondContact OE2-NH1 2.9Å; Y674-R698 WeakPolarHBondContact OH-CB 3.29Å; V695-R698 PolarHBondContact O-N 3.12Å; V695-R698 VanDerWaalsContact O-N 3.1Å; V696-R698 PolarHBondContact O-N 3.03Å
699L88.3Confident90Very high17 Ų1735.4 Ų35.49%0.08918%0.18CC..  trans-65.8134.6-176.7-161.470.4000111.3Y674 V677 L689 V691 V695 V696 C701 L725Y674-L699 HydrophobicContact CD1-CD1 4.19Å; Y674-L699 HydrophobicContact CE1-CD1 4.13Å; V677-L699 HydrophobicContact CG2-CD1 3.76Å; L689-L699 HydrophobicContact CD2-CD2 4.36Å; V691-L699 HydrophobicContact CG1-CD2 3.89Å; V691-L699 HydrophobicContact CG2-CD2 4.41Å; V695-L699 HydrophobicContact CB-CD1 4.46Å; V695-L699 HydrophobicContact CG2-CD1 4.35Å; V695-L699 WeakPolarHBondContact O-CB 3.39Å; V695-L699 PolarHBondContact O-N 3.5Å; V696-L699 PolarHBondContact O-N 3.35Å; L699-C701 WeakPolarHBondContact CD2-SG 3.25Å; L699-L725 HydrophobicContact CB-CD2 4.06Å; L699-L725 HydrophobicContact CD2-CD2 3.9Å; L699-L725 HydrophobicContact CG-CD2 4.38Å
700K85Confident90.1Very high181 Ų18135.8 Ų35.879%0.78718%0.181SC*.  trans-120.973.9-177.3-64.7-178.4-175.4173.60111.3G702K700-G702 VanDerWaalsContact C-N 3.26Å; K700-G702 PolarHBondContact O-N 3.07Å
701C81.8Confident90Very high5 Ų536.8 Ų36.83%0.03419%0.188CC..  trans-75.4-1-177.8-64.70000115.6V642 W680 L681 L699 I704V642-C701 HydrophobicContact CG2-CB 4.23Å; W680-C701 HydrophobicContact CH2-CB 4.11Å; W680-C701 HydrophobicContact CZ3-CB 3.86Å; L681-C701 WeakPolarHBondContact CD2-O 3.46Å; L699-C701 WeakPolarHBondContact CD2-SG 3.25Å; C701-I704 HydrophobicContact CB-CG2 3.71Å
702G83.6Confident89.9Confident39 Ų3937.6 Ų37.640%0.40219%0.192SC..  trans64.6-148.6-166.100000110.8K700 A728K700-G702 VanDerWaalsContact C-N 3.26Å; K700-G702 PolarHBondContact O-N 3.07Å; G702-A728 WeakPolarHBondContact O-CB 3.35Å
703K85.3Confident89.7Confident106 Ų10637.6 Ų37.646%0.46119%0.192SC..  trans-82.9131.5177.2-66.3-168.2175.6-171.70110.9A728 N729 S732K703-A728 WeakPolarHBondContact CE-O 3.44Å; K703-A728 HydrophobicContact CG-CB 4.32Å; K703-N729 WeakPolarHBondContact CA-OD1 3.25Å; K703-S732 PolarHBondContact NZ-OG 3.5Å
704I87.3Confident89.3Confident0 Ų042.5 Ų42.50%023%0.227CC..  trans-123.6112.2-17953.2146.9000112V642 W680 C701 L706 L707 L725 F726 N729V642-I704 HydrophobicContact CB-CD1 4.44Å; V642-I704 HydrophobicContact CG2-CD1 4.31Å; V642-I704 HydrophobicContact CG2-CG2 3.8Å; W680-I704 HydrophobicContact CH2-CG2 4.26Å; C701-I704 HydrophobicContact CB-CG2 3.71Å; I704-L706 VanDerWaalsContact C-N 3.26Å; I704-L706 PolarHBondContact O-N 3.41Å; I704-L707 HydrophobicContact CD1-CB 4.26Å; I704-L707 HydrophobicContact CD1-CD1 4.41Å; I704-L725 HydrophobicContact CD1-CB 3.61Å; I704-L725 HydrophobicContact CG1-CB 4.38Å; I704-F726 HydrophobicContact CD1-CD1 4.23Å; I704-F726 HydrophobicContact CD1-CE1 4.13Å; I704-F726 HydrophobicContact CG1-CD1 4.17Å; I704-F726 HydrophobicContact CG1-CE1 4.33Å; I704-F726 WeakPolarHBondContact O-CE1 3.28Å; I704-N729 PolarHBondContact N-OD1 3.45Å; I704-N729 PolarHBondContact O-ND2 3.12Å
705P86.1Confident89.3Confident35 Ų3543.1 Ų43.123%0.22723%0.228CC..SBendtrans-68.1-21177.825.1-35.2000114.4E639 P640 Q740E639-P705 HydrophobicContact CB-CG 3.72Å; E639-P705 HydrophobicContact CG-CG 3.93Å; P640-P705 WeakPolarHBondContact O-CD 3.22Å; P705-Q740 PolarHBondContact O-N 2.99Å
706L89.4Confident89.3Confident3 Ų345.5 Ų45.52%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-139.3129.7-174.8-177.760.6000112.4L629 F636 A641 V642 I704 I708 Q740 V742L629-L706 HydrophobicContact CD2-CD2 4.33Å; L629-L706 HydrophobicContact CG-CD2 4.38Å; F636-L706 HydrophobicContact CE2-CD2 3.59Å; F636-L706 HydrophobicContact CZ-CD2 3.72Å; A641-L706 HydrophobicContact CB-CB 4.21Å; A641-L706 HydrophobicContact CB-CD2 4.21Å; A641-L706 HydrophobicContact CB-CG 4.39Å; V642-L706 PolarHBondContact N-O 3.07Å; V642-L706 VanDerWaalsContact N-O 3.14Å; I704-L706 VanDerWaalsContact C-N 3.26Å; I704-L706 PolarHBondContact O-N 3.41Å; L706-I708 HydrophobicContact CD1-CG1 4.28Å; L706-I708 HydrophobicContact CD2-CD1 4.06Å; L706-I708 HydrophobicContact CD2-CG1 4.25Å; L706-I708 HydrophobicContact CG-CD1 4.33Å; L706-I708 HydrophobicContact CG-CG1 4.01Å; L706-Q740 WeakPolarHBondContact CA-O 3.26Å; L706-Q740 HydrophobicContact CD1-CB 4.18Å; L706-Q740 HydrophobicContact CD1-CG 4.41Å; L706-V742 HydrophobicContact CD1-CG2 3.86Å
707L94.2Very high89.2Confident0 Ų048.8 Ų48.80%026%0.264CS..EExtended strand (participates in β ladder)trans-120.2123.5171.2-178.662.4000109.6V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742V642-L707 HydrophobicContact CB-CD1 4.16Å; V642-L707 HydrophobicContact CG1-CD1 4.27Å; V642-L707 CarbonylContact O-C 3.52Å; V642-L707 WeakPolarHBondContact O-CA 3.42Å; V644-L707 HydrophobicContact CG2-CD1 3.9Å; I704-L707 HydrophobicContact CD1-CB 4.26Å; I704-L707 HydrophobicContact CD1-CD1 4.41Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.42Å; L707-R722 HydrophobicContact CD2-CB 4.36Å; L707-R722 WeakPolarHBondContact CD2-O 3.43Å; L707-L725 HydrophobicContact CD1-CD1 3.71Å; L707-F726 HydrophobicContact CB-CE1 4.24Å; L707-F726 HydrophobicContact CB-CE2 3.79Å; L707-F726 HydrophobicContact CB-CZ 3.4Å; L707-F726 VanDerWaalsContact CB-CZ 3.4Å; L707-F726 HydrophobicContact CD2-CD2 4.31Å; L707-F726 HydrophobicContact CD2-CE2 3.64Å; L707-F726 HydrophobicContact CD2-CZ 4.17Å; L707-F726 HydrophobicContact CG-CE2 4.38Å; L707-F726 HydrophobicContact CG-CZ 4.44Å; L707-Q740 PolarHBondContact N-O 3.43Å; L707-S741 CarbonylContact O-C 3.59Å; L707-S741 VanDerWaalsContact O-CA 3.32Å; L707-S741 WeakPolarHBondContact O-CA 3.18Å; L707-V742 PolarHBondContact O-N 3.32Å
708I94.7Very high89.5Confident0 Ų048.1 Ų48.10%025%0.251CS..EExtended strand (participates in β ladder)trans-111.4127.4179.5-54.8166.9000109.4L626 L629 V642 M643 V644 L688 L706 V742 F744L626-I708 HydrophobicContact CD1-CD1 3.95Å; L629-I708 HydrophobicContact CD2-CD1 3.71Å; L629-I708 HydrophobicContact CD2-CG1 3.95Å; V642-I708 PolarHBondContact O-N 2.88Å; M643-I708 CarbonylContact C-O 3.54Å; M643-I708 VanDerWaalsContact CA-O 3.27Å; M643-I708 WeakPolarHBondContact CA-O 3.31Å; M643-I708 HydrophobicContact CB-CB 4.2Å; M643-I708 HydrophobicContact CE-CB 3.98Å; M643-I708 HydrophobicContact CE-CD1 3.65Å; M643-I708 HydrophobicContact CE-CG1 4.42Å; M643-I708 HydrophobicContact CE-CG2 3.75Å; M643-I708 HydrophobicContact CG-CB 4.02Å; M643-I708 HydrophobicContact CG-CG2 4.17Å; V644-I708 PolarHBondContact N-O 3.23Å; L688-I708 HydrophobicContact CD1-CD1 4.49Å; L706-I708 HydrophobicContact CD1-CG1 4.28Å; L706-I708 HydrophobicContact CD2-CD1 4.06Å; L706-I708 HydrophobicContact CD2-CG1 4.25Å; L706-I708 HydrophobicContact CG-CD1 4.33Å; L706-I708 HydrophobicContact CG-CG1 4.01Å; I708-V742 CarbonylContact C-O 3.6Å; I708-V742 WeakPolarHBondContact CA-O 3.48Å; I708-F744 HydrophobicContact CG2-CE2 4.48Å; I708-F744 HydrophobicContact CG2-CZ 4.38Å
709H96.1Very high90Very high0 Ų040.4 Ų40.40%022%0.222CC..EExtended strand (participates in β ladder)trans-10389.5176.5-54.2-127.3000106.8L707 S711 F719 R722 F723 S741 V742 V743 F744L707-H709 WeakPolarHBondContact CD2-NE2 3.42Å; H709-S711 VanDerWaalsContact C-N 3.31Å; H709-S711 PolarHBondContact O-N 2.97Å; H709-F719 HydrophobicContact CB-CE2 4.23Å; H709-F719 AromaticContact CE1-CE2 3.96Å; H709-F719 AromaticContact CG-CE2 3.96Å; H709-F719 AromaticContact ND1-CD2 3.74Å; H709-F719 AromaticContact ND1-CE2 3.22Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.47Å; H709-F719 AromaticContact ND1-CZ 3.8Å; H709-R722 WeakPolarHBondContact ND1-CD 3.25Å; H709-F723 AromaticContact CE1-CE2 3.39Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.43Å; H709-F723 AromaticContact CE1-CZ 3.65Å; H709-F723 AromaticContact NE2-CE2 3.96Å; H709-F723 AromaticContact NE2-CZ 3.76Å; H709-S741 PolarHBondContact CD2-OG 3.03Å; H709-S741 PolarHBondContact NE2-OG 3.23Å; H709-V742 PolarHBondContact N-O 3.11Å; H709-V743 HydrophobicContact CB-CB 4.42Å; H709-V743 HydrophobicContact CB-CG1 4.27Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; H709-F744 PolarHBondContact O-N 3.35Å
710Y94.8Very high90.3Very high8 Ų840.6 Ų40.63%0.03122%0.222CC..SBendtrans-67.6-32.9-171.5-174.1-88.3000113E619 K622 I623 M643 V644 E650 L654 F744E619-Y710 VanDerWaalsContact OE2-CE1 3.23Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.34Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.3Å; E619-Y710 PolarHBondContact OE2-OH 3.4Å; K622-Y710 HydrophobicContact CB-CE2 4.06Å; K622-Y710 HydrophobicContact CD-CD1 4.42Å; K622-Y710 HydrophobicContact CD-CE1 3.79Å; K622-Y710 HydrophobicContact CD-CE2 3.98Å; K622-Y710 WeakPolarHBondContact CE-O 3.24Å; K622-Y710 PolarHBondContact NZ-O 3.11Å; I623-Y710 HydrophobicContact CD1-CE2 4.48Å; M643-Y710 HydrophobicContact SD-CD2 3.93Å; M643-Y710 HydrophobicContact SD-CG 4.29Å; V644-Y710 PolarHBondContact O-N 3.26Å; V644-Y710 VanDerWaalsContact O-N 3.16Å; E650-Y710 HydrophobicContact CG-CD1 4.34Å; E650-Y710 HydrophobicContact CG-CE1 4.5Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.39Å; L654-Y710 HydrophobicContact CD1-CD2 4.32Å; L654-Y710 HydrophobicContact CD1-CE2 3.71Å; L654-Y710 HydrophobicContact CD2-CD1 4.1Å; L654-Y710 HydrophobicContact CD2-CD2 3.65Å; L654-Y710 HydrophobicContact CD2-CE1 4.3Å; L654-Y710 HydrophobicContact CD2-CE2 3.85Å; L654-Y710 HydrophobicContact CD2-CG 3.79Å; L654-Y710 HydrophobicContact CG-CE2 4.45Å; Y710-F744 AromaticContact CD2-CD2 3.95Å; Y710-F744 HydrophobicContact CD2-CD2 3.95Å; Y710-F744 HydrophobicContact CD2-CE2 4.1Å; Y710-F744 HydrophobicContact CE2-CD2 4.31Å; Y710-F744 HydrophobicContact CE2-CE2 4.36Å
711S92.1Very high90.7Very high20 Ų2034.3 Ų34.314%0.1420%0.197CC..SBendtrans-145.1152.8169.6-70.10000108.5K622 E650 H709 R722K622-S711 PolarHBondContact NZ-OG 3.44Å; K622-S711 VanDerWaalsContact NZ-OG 3.12Å; E650-S711 VanDerWaalsContact OE1-CB 3.24Å; E650-S711 WeakPolarHBondContact OE1-CB 3.33Å; E650-S711 PolarHBondContact OE1-OG 2.87Å; H709-S711 VanDerWaalsContact C-N 3.31Å; H709-S711 PolarHBondContact O-N 2.97Å; S711-R722 PolarHBondContact O-NH1 2.93Å; S711-R722 PolarHBondContact O-NH2 2.89Å; S711-R722 VanDerWaalsContact O-NH2 3.15Å
712F92.1Very high91.3Very high17 Ų1734 Ų348%0.07520%0.195CC..  trans-61.1162.7177.9-77.3-75.5000113F719 R722 V743 A745 D749 N752 L756F712-F719 AromaticContact CD1-CD2 3.71Å; F712-F719 HydrophobicContact CD1-CD2 3.71Å; F712-F719 AromaticContact CD1-CE2 3.68Å; F712-F719 HydrophobicContact CD1-CE2 3.68Å; F712-F719 HydrophobicContact CD1-CG 4.46Å; F712-F719 HydrophobicContact CD1-CZ 4.44Å; F712-F719 HydrophobicContact CE1-CD2 4.23Å; F712-F719 AromaticContact CE1-CE2 3.78Å; F712-F719 HydrophobicContact CE1-CE2 3.78Å; F712-F719 HydrophobicContact CE1-CZ 4.14Å; F712-R722 PolarHBondContact O-NH2 3.4Å; F712-V743 HydrophobicContact CE1-CG1 3.83Å; F712-V743 HydrophobicContact CZ-CG1 3.78Å; F712-A745 HydrophobicContact CE2-CB 3.59Å; F712-A745 HydrophobicContact CZ-CB 3.89Å; F712-D749 HydrophobicContact CD2-CB 3.78Å; F712-D749 VanDerWaalsContact CD2-OD2 3.27Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.43Å; F712-D749 HydrophobicContact CE2-CB 3.65Å; F712-D749 WeakPolarHBondContact CE2-OD2 3.45Å; F712-N752 HydrophobicContact CD1-CB 3.67Å; F712-N752 HydrophobicContact CD2-CB 3.99Å; F712-N752 HydrophobicContact CE1-CB 3.62Å; F712-N752 HydrophobicContact CE2-CB 3.92Å; F712-N752 HydrophobicContact CG-CB 3.87Å; F712-N752 HydrophobicContact CZ-CB 3.74Å; F712-L756 HydrophobicContact CE1-CD1 3.83Å; F712-L756 HydrophobicContact CZ-CD1 3.68Å
713A90.3Very high91.8Very high5 Ų532.3 Ų32.34%0.04118%0.176CC..  trans-83.2151.7168.500000110D693 M715 R718 F719D693-A713 WeakPolarHBondContact OD2-CB 3.2Å; A713-M715 PolarHBondContact O-N 2.9Å; A713-M715 VanDerWaalsContact O-N 3.09Å; A713-R718 HydrophobicContact CB-CB 3.84Å; A713-F719 HydrophobicContact CB-CB 3.9Å
714S86.4Confident92.2Very high108 Ų10828.1 Ų28.176%0.75516%0.161SC*.SBendtrans-59.4-19.417555.20000114.3
715M90.6Very high92.5Very high111 Ų11128.6 Ų28.655%0.54716%0.163SC..SBendtrans-137.5138.6176.7-68-173.2-77.300111.2A713 A717 R718 F719A713-M715 PolarHBondContact O-N 2.9Å; A713-M715 VanDerWaalsContact O-N 3.09Å; M715-A717 PolarHBondContact O-N 3.03Å; M715-R718 HydrophobicContact CE-CG 4.35Å; M715-R718 PolarHBondContact O-N 3.4Å; M715-F719 PolarHBondContact O-N 2.86Å
716W92.3Very high92.7Very high52 Ų5226.9 Ų26.920%0.19715%0.152CC..Hα-helixtrans-55.5-35.2177.7-175.1-125.1000113.1L601 R718 F719 K720 K755 L756L601-W716 HydrophobicContact CD2-CH2 4.34Å; L601-W716 HydrophobicContact CD2-CZ2 4.1Å; W716-R718 PolarHBondContact O-N 3.42Å; W716-F719 HydrophobicContact CE3-CB 4.25Å; W716-F719 AromaticContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CE1 4.36Å; W716-F719 HydrophobicContact CE3-CG 4.18Å; W716-F719 AromaticContact CH2-CD1 3.86Å; W716-F719 HydrophobicContact CH2-CD1 3.86Å; W716-F719 AromaticContact CH2-CE1 3.83Å; W716-F719 HydrophobicContact CH2-CE1 3.83Å; W716-F719 AromaticContact CZ3-CD1 3.27Å; W716-F719 HydrophobicContact CZ3-CD1 3.27Å; W716-F719 AromaticContact CZ3-CE1 3.52Å; W716-F719 HydrophobicContact CZ3-CE1 3.52Å; W716-F719 HydrophobicContact CZ3-CG 4.09Å; W716-F719 HydrophobicContact CZ3-CZ 4.48Å; W716-F719 PolarHBondContact O-N 3.5Å; W716-K720 HydrophobicContact CD2-CG 4.29Å; W716-K720 HydrophobicContact CZ2-CD 4.19Å; W716-K720 HydrophobicContact CZ2-CG 4.21Å; W716-K720 WeakPolarHBondContact O-CG 3.45Å; W716-K720 PolarHBondContact O-N 2.82Å; W716-K755 HydrophobicContact CB-CD 4.06Å; W716-K755 HydrophobicContact CD2-CB 4.07Å; W716-K755 HydrophobicContact CD2-CD 3.86Å; W716-K755 HydrophobicContact CD2-CG 4.43Å; W716-K755 HydrophobicContact CE3-CB 4.02Å; W716-K755 HydrophobicContact CE3-CD 4.05Å; W716-K755 HydrophobicContact CG-CD 3.86Å; W716-K755 HydrophobicContact CH2-CB 3.96Å; W716-K755 HydrophobicContact CZ2-CB 3.97Å; W716-K755 HydrophobicContact CZ3-CB 3.96Å; W716-L756 HydrophobicContact CH2-CD2 4.1Å; W716-L756 HydrophobicContact CH2-CG 4.28Å; W716-L756 HydrophobicContact CZ3-CG 4.44Å
717A90.9Very high92.7Very high71 Ų7127.2 Ų27.259%0.58715%0.153SC*.Hα-helixtrans-62.8-39.3174.700000113M715 N721M715-A717 PolarHBondContact O-N 3.03Å; A717-N721 WeakPolarHBondContact O-CB 3.29Å; A717-N721 PolarHBondContact O-N 2.78Å
718R92.8Very high92.3Very high70 Ų7028.2 Ų28.226%0.26416%0.161SC..Hα-helixtrans-69.3-43.5174.9-73.7174.865.4120.2-13110.8D694 A713 M715 W716 K720 N721 R722D694-R718 IonicContact OD1-CZ 2.78Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.64Å; D694-R718 PolarHBondContact OD1-NH1 3.2Å; D694-R718 IonicContact OD1-NH2 3.49Å; D694-R718 PolarHBondContact OD1-NH2 3.41Å; D694-R718 IonicContact OD2-NH2 3.76Å; D694-R718 PolarHBondContact OD2-NH2 3.37Å; A713-R718 HydrophobicContact CB-CB 3.84Å; M715-R718 HydrophobicContact CE-CG 4.35Å; M715-R718 PolarHBondContact O-N 3.4Å; W716-R718 PolarHBondContact O-N 3.42Å; R718-K720 PolarHBondContact O-N 3.4Å; R718-N721 WeakPolarHBondContact O-CB 3.49Å; R718-N721 PolarHBondContact O-N 3.12Å; R718-N721 VanDerWaalsContact O-N 3.08Å; R718-R722 PolarHBondContact O-N 2.96Å
719F95.3Very high91.8Very high1 Ų128.7 Ų28.70%0.00416%0.164CC..Hα-helixtrans-56.2-48.2174.4177.5-93.4000112.2H709 F712 A713 M715 W716 N721 R722 F723 V743 L756H709-F719 HydrophobicContact CB-CE2 4.23Å; H709-F719 AromaticContact CE1-CE2 3.96Å; H709-F719 AromaticContact CG-CE2 3.96Å; H709-F719 AromaticContact ND1-CD2 3.74Å; H709-F719 AromaticContact ND1-CE2 3.22Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.47Å; H709-F719 AromaticContact ND1-CZ 3.8Å; F712-F719 AromaticContact CD1-CD2 3.71Å; F712-F719 HydrophobicContact CD1-CD2 3.71Å; F712-F719 AromaticContact CD1-CE2 3.68Å; F712-F719 HydrophobicContact CD1-CE2 3.68Å; F712-F719 HydrophobicContact CD1-CG 4.46Å; F712-F719 HydrophobicContact CD1-CZ 4.44Å; F712-F719 HydrophobicContact CE1-CD2 4.23Å; F712-F719 AromaticContact CE1-CE2 3.78Å; F712-F719 HydrophobicContact CE1-CE2 3.78Å; F712-F719 HydrophobicContact CE1-CZ 4.14Å; A713-F719 HydrophobicContact CB-CB 3.9Å; M715-F719 PolarHBondContact O-N 2.86Å; W716-F719 HydrophobicContact CE3-CB 4.25Å; W716-F719 AromaticContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CD1 3.66Å; W716-F719 HydrophobicContact CE3-CE1 4.36Å; W716-F719 HydrophobicContact CE3-CG 4.18Å; W716-F719 AromaticContact CH2-CD1 3.86Å; W716-F719 HydrophobicContact CH2-CD1 3.86Å; W716-F719 AromaticContact CH2-CE1 3.83Å; W716-F719 HydrophobicContact CH2-CE1 3.83Å; W716-F719 AromaticContact CZ3-CD1 3.27Å; W716-F719 HydrophobicContact CZ3-CD1 3.27Å; W716-F719 AromaticContact CZ3-CE1 3.52Å; W716-F719 HydrophobicContact CZ3-CE1 3.52Å; W716-F719 HydrophobicContact CZ3-CG 4.09Å; W716-F719 HydrophobicContact CZ3-CZ 4.48Å; W716-F719 PolarHBondContact O-N 3.5Å; F719-N721 VanDerWaalsContact C-N 3.31Å; F719-N721 PolarHBondContact O-N 3.33Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.41Å; F719-R722 WeakPolarHBondContact O-CG 3.41Å; F719-R722 PolarHBondContact O-N 3.33Å; F719-F723 HydrophobicContact CD1-CE2 4.33Å; F719-F723 AromaticContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CZ 4.42Å; F719-F723 HydrophobicContact CZ-CE2 4.1Å; F719-F723 HydrophobicContact CZ-CZ 4.47Å; F719-V743 HydrophobicContact CE2-CG1 4.26Å; F719-V743 HydrophobicContact CE2-CG2 4.3Å; F719-V743 HydrophobicContact CZ-CG1 4.42Å; F719-V743 HydrophobicContact CZ-CG2 3.92Å; F719-L756 HydrophobicContact CE1-CD2 4.29Å; F719-L756 HydrophobicContact CZ-CD2 4.37Å
720K94.7Very high91Very high21 Ų2129.5 Ų29.59%0.09117%0.168CC..Hα-helixtrans-62.8-37.3175.6-68.8-165.4-66.2175.70112.1N417 D599 L601 W716 R718 R722 F723N417-K720 PolarHBondContact OD1-NZ 2.87Å; D599-K720 WeakPolarHBondContact OD2-CE 3.29Å; D599-K720 IonicContact OD2-NZ 2.85Å; D599-K720 PolarHBondContact OD2-NZ 3Å; L601-K720 HydrophobicContact CB-CB 4.06Å; L601-K720 HydrophobicContact CB-CD 4.1Å; L601-K720 HydrophobicContact CB-CG 3.91Å; L601-K720 HydrophobicContact CD2-CD 3.92Å; L601-K720 HydrophobicContact CD2-CG 3.77Å; W716-K720 HydrophobicContact CD2-CG 4.29Å; W716-K720 HydrophobicContact CZ2-CD 4.19Å; W716-K720 HydrophobicContact CZ2-CG 4.21Å; W716-K720 WeakPolarHBondContact O-CG 3.45Å; W716-K720 PolarHBondContact O-N 2.82Å; R718-K720 PolarHBondContact O-N 3.4Å; K720-R722 PolarHBondContact O-N 2.73Å; K720-F723 WeakPolarHBondContact O-CB 3.19Å; K720-F723 WeakPolarHBondContact O-CD2 3.35Å; K720-F723 PolarHBondContact O-N 2.88Å
721N93.3Very high89.7Confident48 Ų4833.3 Ų33.326%0.25719%0.185SC..Hα-helixtrans-64-22.9177-170.465000113.9V696 A717 R718 F719 F723 S724V696-N721 WeakPolarHBondContact CG1-O 3.21Å; A717-N721 WeakPolarHBondContact O-CB 3.29Å; A717-N721 PolarHBondContact O-N 2.78Å; R718-N721 WeakPolarHBondContact O-CB 3.49Å; R718-N721 PolarHBondContact O-N 3.12Å; R718-N721 VanDerWaalsContact O-N 3.08Å; F719-N721 VanDerWaalsContact C-N 3.31Å; F719-N721 PolarHBondContact O-N 3.33Å; N721-F723 PolarHBondContact O-N 3.32Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.31Å; N721-S724 PolarHBondContact O-N 3.17Å; N721-S724 PolarHBondContact O-OG 2.66Å
722R95.2Very high88Confident0 Ų034.4 Ų34.40%019%0.193CC..G310 helixtrans-55.3-32.6172.1-61.4178.5177.8-169.40.5113V644 D693 L707 H709 S711 F712 R718 F719 K720 S724 L725V644-R722 HydrophobicContact CB-CG 4.36Å; V644-R722 HydrophobicContact CG1-CG 4.1Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.43Å; V644-R722 HydrophobicContact CG2-CG 4.19Å; V644-R722 PolarHBondContact O-NH1 3.34Å; D693-R722 VanDerWaalsContact OD1-CG 3.26Å; D693-R722 WeakPolarHBondContact OD1-CG 3.44Å; D693-R722 IonicContact OD1-CZ 3.84Å; D693-R722 IonicContact OD1-NE 3.91Å; D693-R722 PolarHBondContact OD1-NE 3.43Å; D693-R722 IonicContact OD1-NH2 2.67Å; D693-R722 IonicContact OD2-CZ 3.46Å; D693-R722 IonicContact OD2-NE 3.23Å; D693-R722 PolarHBondContact OD2-NE 3.07Å; D693-R722 IonicContact OD2-NH2 3.03Å; D693-R722 PolarHBondContact OD2-NH2 3.03Å; L707-R722 HydrophobicContact CD2-CB 4.36Å; L707-R722 WeakPolarHBondContact CD2-O 3.43Å; H709-R722 WeakPolarHBondContact ND1-CD 3.25Å; S711-R722 PolarHBondContact O-NH1 2.93Å; S711-R722 PolarHBondContact O-NH2 2.89Å; S711-R722 VanDerWaalsContact O-NH2 3.15Å; F712-R722 PolarHBondContact O-NH2 3.4Å; R718-R722 PolarHBondContact O-N 2.96Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.41Å; F719-R722 WeakPolarHBondContact O-CG 3.41Å; F719-R722 PolarHBondContact O-N 3.33Å; K720-R722 PolarHBondContact O-N 2.73Å; R722-S724 PolarHBondContact O-N 3.48Å; R722-L725 WeakPolarHBondContact O-CG 3.48Å; R722-L725 PolarHBondContact O-N 2.65Å
723F94.6Very high86Confident3 Ų338.3 Ų38.31%0.01322%0.219CC..G310 helixtrans-69.8-12.4178.8-69.3-96.2000113.6A600 L601 S604 L611 H709 F719 K720 N721 L725 F726 S741A600-F723 HydrophobicContact CB-CB 4.06Å; A600-F723 WeakPolarHBondContact O-CB 3.42Å; L601-F723 HydrophobicContact CB-CD2 4.2Å; L601-F723 HydrophobicContact CB-CG 4.36Å; L601-F723 HydrophobicContact CD1-CD1 3.9Å; L601-F723 HydrophobicContact CD1-CD2 3.98Å; L601-F723 HydrophobicContact CD1-CE1 3.7Å; L601-F723 HydrophobicContact CD1-CE2 3.79Å; L601-F723 HydrophobicContact CD1-CG 4.05Å; L601-F723 HydrophobicContact CD1-CZ 3.65Å; S604-F723 WeakPolarHBondContact OG-CB 3.38Å; L611-F723 HydrophobicContact CD1-CE1 4.37Å; L611-F723 HydrophobicContact CD1-CZ 4.11Å; H709-F723 AromaticContact CE1-CE2 3.39Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.43Å; H709-F723 AromaticContact CE1-CZ 3.65Å; H709-F723 AromaticContact NE2-CE2 3.96Å; H709-F723 AromaticContact NE2-CZ 3.76Å; F719-F723 HydrophobicContact CD1-CE2 4.33Å; F719-F723 AromaticContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CE2 3.8Å; F719-F723 HydrophobicContact CE1-CZ 4.42Å; F719-F723 HydrophobicContact CZ-CE2 4.1Å; F719-F723 HydrophobicContact CZ-CZ 4.47Å; K720-F723 WeakPolarHBondContact O-CB 3.19Å; K720-F723 WeakPolarHBondContact O-CD2 3.35Å; K720-F723 PolarHBondContact O-N 2.88Å; N721-F723 PolarHBondContact O-N 3.32Å; F723-L725 PolarHBondContact O-N 3.07Å; F723-L725 VanDerWaalsContact O-N 3.14Å; F723-F726 HydrophobicContact CB-CD2 4.48Å; F723-F726 HydrophobicContact CD1-CD2 4.11Å; F723-F726 AromaticContact CD1-CE2 4Å; F723-F726 HydrophobicContact CD1-CE2 4Å; F723-F726 HydrophobicContact CE1-CE2 4.49Å; F723-F726 WeakPolarHBondContact O-CB 3.2Å; F723-F726 PolarHBondContact O-N 2.97Å; F723-S741 WeakPolarHBondContact CE1-OG 3.46Å; F723-S741 WeakPolarHBondContact CZ-OG 3.42Å
724S93.4Very high84Confident18 Ų1841.8 Ų41.813%0.12624%0.24CC..G310 helixtrans-62.4-20.5175.164.40000113N721 R722 F726 Y727N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.31Å; N721-S724 PolarHBondContact O-N 3.17Å; N721-S724 PolarHBondContact O-OG 2.66Å; R722-S724 PolarHBondContact O-N 3.48Å; S724-F726 PolarHBondContact O-N 2.73Å; S724-Y727 WeakPolarHBondContact O-CB 3.42Å; S724-Y727 PolarHBondContact O-N 2.81Å
725L92.6Very high82.1Confident9 Ų942.3 Ų42.35%0.04724%0.239CC..G310 helixtrans-61.3-27.4173.4-59.9174.2000112.3V642 V644 V696 L699 I704 L707 R722 F723 Y727V642-L725 HydrophobicContact CB-CD1 4.48Å; V642-L725 HydrophobicContact CG1-CD1 3.91Å; V644-L725 HydrophobicContact CG2-CD1 4.5Å; V696-L725 HydrophobicContact CG1-CG 4.43Å; L699-L725 HydrophobicContact CB-CD2 4.06Å; L699-L725 HydrophobicContact CD2-CD2 3.9Å; L699-L725 HydrophobicContact CG-CD2 4.38Å; I704-L725 HydrophobicContact CD1-CB 3.61Å; I704-L725 HydrophobicContact CG1-CB 4.38Å; L707-L725 HydrophobicContact CD1-CD1 3.71Å; R722-L725 WeakPolarHBondContact O-CG 3.48Å; R722-L725 PolarHBondContact O-N 2.65Å; F723-L725 PolarHBondContact O-N 3.07Å; F723-L725 VanDerWaalsContact O-N 3.14Å; L725-Y727 VanDerWaalsContact C-N 3.29Å; L725-Y727 PolarHBondContact O-N 3.44Å
726F91.3Very high80.3Confident0 Ų046.6 Ų46.60%025%0.249CC..G310 helixtrans-75.1-10.7174.1-66.7-63.1000114.1V609 I704 L707 F723 S724 A728 N729 L730V609-F726 HydrophobicContact CG1-CD2 3.94Å; V609-F726 HydrophobicContact CG1-CE1 4.24Å; V609-F726 HydrophobicContact CG1-CE2 3.6Å; V609-F726 HydrophobicContact CG1-CG 4.4Å; V609-F726 HydrophobicContact CG1-CZ 3.75Å; V609-F726 HydrophobicContact CG2-CB 4.37Å; V609-F726 HydrophobicContact CG2-CD1 4.45Å; V609-F726 HydrophobicContact CG2-CD2 4.27Å; V609-F726 HydrophobicContact CG2-CG 4.13Å; I704-F726 HydrophobicContact CD1-CD1 4.23Å; I704-F726 HydrophobicContact CD1-CE1 4.13Å; I704-F726 HydrophobicContact CG1-CD1 4.17Å; I704-F726 HydrophobicContact CG1-CE1 4.33Å; I704-F726 WeakPolarHBondContact O-CE1 3.28Å; L707-F726 HydrophobicContact CB-CE1 4.24Å; L707-F726 HydrophobicContact CB-CE2 3.79Å; L707-F726 HydrophobicContact CB-CZ 3.4Å; L707-F726 VanDerWaalsContact CB-CZ 3.4Å; L707-F726 HydrophobicContact CD2-CD2 4.31Å; L707-F726 HydrophobicContact CD2-CE2 3.64Å; L707-F726 HydrophobicContact CD2-CZ 4.17Å; L707-F726 HydrophobicContact CG-CE2 4.38Å; L707-F726 HydrophobicContact CG-CZ 4.44Å; F723-F726 HydrophobicContact CB-CD2 4.48Å; F723-F726 HydrophobicContact CD1-CD2 4.11Å; F723-F726 AromaticContact CD1-CE2 4Å; F723-F726 HydrophobicContact CD1-CE2 4Å; F723-F726 HydrophobicContact CE1-CE2 4.49Å; F723-F726 WeakPolarHBondContact O-CB 3.2Å; F723-F726 PolarHBondContact O-N 2.97Å; S724-F726 PolarHBondContact O-N 2.73Å; F726-A728 PolarHBondContact O-N 2.83Å; F726-N729 WeakPolarHBondContact O-CA 3.38Å; F726-N729 WeakPolarHBondContact O-CB 3.03Å; F726-N729 PolarHBondContact O-N 3.28Å; F726-L730 WeakPolarHBondContact O-CG 3.25Å; F726-L730 PolarHBondContact O-N 3.32Å
727Y90Very high78.6Confident9 Ų947.3 Ų47.34%0.03526%0.261CS..G310 helixtrans-57.7-23.7-176.9-71.9-5.5000114.2N353 G356 L358 A600 A603 S724 L725 L730 K731N353-Y727 HydrophobicContact CB-CD2 3.97Å; N353-Y727 HydrophobicContact CB-CG 4.29Å; G356-Y727 VanDerWaalsContact O-CE2 3.31Å; G356-Y727 WeakPolarHBondContact O-CE2 3.07Å; G356-Y727 PolarHBondContact O-OH 2.91Å; L358-Y727 HydrophobicContact CB-CD1 3.95Å; L358-Y727 HydrophobicContact CB-CD2 4.47Å; L358-Y727 HydrophobicContact CB-CE1 3.72Å; L358-Y727 HydrophobicContact CB-CE2 4.27Å; L358-Y727 HydrophobicContact CB-CG 4.31Å; L358-Y727 HydrophobicContact CD1-CD1 3.97Å; L358-Y727 HydrophobicContact CD1-CG 3.97Å; L358-Y727 HydrophobicContact CG-CD1 4.38Å; A600-Y727 HydrophobicContact CB-CE1 3.67Å; A600-Y727 WeakPolarHBondContact CB-OH 3.36Å; A603-Y727 HydrophobicContact CB-CE1 3.94Å; S724-Y727 WeakPolarHBondContact O-CB 3.42Å; S724-Y727 PolarHBondContact O-N 2.81Å; L725-Y727 VanDerWaalsContact C-N 3.29Å; L725-Y727 PolarHBondContact O-N 3.44Å; Y727-L730 HydrophobicContact CD1-CD1 4.32Å; Y727-K731 WeakPolarHBondContact O-CG 3.43Å
728A85.8Confident77.8Confident21 Ų2145.3 Ų45.317%0.17424%0.241CC..G310 helixtrans-75.7-31.817400000112.9G702 K703 F726 L730 K731G702-A728 WeakPolarHBondContact O-CB 3.35Å; K703-A728 WeakPolarHBondContact CE-O 3.44Å; K703-A728 HydrophobicContact CG-CB 4.32Å; F726-A728 PolarHBondContact O-N 2.83Å; A728-L730 VanDerWaalsContact C-N 3.35Å; A728-K731 WeakPolarHBondContact O-CB 3.38Å; A728-K731 PolarHBondContact O-N 3.07Å
729N84.3Confident77.5Confident10 Ų1042.3 Ų42.35%0.05323%0.232CC..G310 helixtrans-67.7-41.4177.4-5325.7000109.8K703 I704 F726 K731 S732 V738K703-N729 WeakPolarHBondContact CA-OD1 3.25Å; I704-N729 PolarHBondContact N-OD1 3.45Å; I704-N729 PolarHBondContact O-ND2 3.12Å; F726-N729 WeakPolarHBondContact O-CA 3.38Å; F726-N729 WeakPolarHBondContact O-CB 3.03Å; F726-N729 PolarHBondContact O-N 3.28Å; N729-K731 PolarHBondContact O-N 3.45Å; N729-S732 PolarHBondContact O-N 3.37Å; N729-V738 HydrophobicContact CB-CG1 3.35Å; N729-V738 PolarHBondContact ND2-O 3.17Å
730L78.1Confident77.3Confident18 Ų1843.4 Ų43.49%0.09424%0.237CC..G310 helixtrans-665.8178.9-55.3174.5000114.7T351 L358 F726 Y727 A728 V738T351-L730 WeakPolarHBondContact CG2-O 3.39Å; T351-L730 PolarHBondContact OG1-O 3.4Å; L358-L730 HydrophobicContact CD1-CB 4.16Å; L358-L730 HydrophobicContact CD1-CD1 4.27Å; L358-L730 HydrophobicContact CD2-CB 4.28Å; L358-L730 HydrophobicContact CD2-CD1 3.52Å; L358-L730 HydrophobicContact CD2-CG 4.5Å; F726-L730 WeakPolarHBondContact O-CG 3.25Å; F726-L730 PolarHBondContact O-N 3.32Å; Y727-L730 HydrophobicContact CD1-CD1 4.32Å; A728-L730 VanDerWaalsContact C-N 3.35Å; L730-V738 HydrophobicContact CD2-CB 4.4Å; L730-V738 HydrophobicContact CD2-CG1 3.85Å
731K68.9Low77.3Confident88 Ų8842.4 Ų42.438%0.38323%0.233SC..G310 helixtrans-89.25.1174.6-57.7-152.6173.2-156.60114.8T351 N353 Y727 A728 N729T351-K731 HydrophobicContact CG2-CG 3.95Å; T351-K731 WeakPolarHBondContact O-CE 3.09Å; T351-K731 PolarHBondContact O-NZ 3.45Å; N353-K731 VanDerWaalsContact CG-CE 3.4Å; N353-K731 WeakPolarHBondContact OD1-CE 3.34Å; N353-K731 PolarHBondContact OD1-NZ 3.14Å; Y727-K731 WeakPolarHBondContact O-CG 3.43Å; A728-K731 WeakPolarHBondContact O-CB 3.38Å; A728-K731 PolarHBondContact O-N 3.07Å; N729-K731 PolarHBondContact O-N 3.45Å
732S55.5Low77.3Confident43 Ų4340.1 Ų40.130%0.30122%0.221SC..SBendtrans-140.5125.2-179.9-53.10000110.4K703 N729 T734K703-S732 PolarHBondContact NZ-OG 3.5Å; N729-S732 PolarHBondContact O-N 3.37Å; S732-T734 PolarHBondContact O-N 3.04Å; S732-T734 VanDerWaalsContact O-N 3.15Å
733P49.1Very low77.4Confident98 Ų9840.2 Ų40.264%0.63622%0.221SC*.  trans-69.5110.2171.328.6-31.8000108.6
734T49.3Very low77.4Confident78 Ų7840.1 Ų40.148%0.47922%0.221SC..  trans-133.6135.8-179.452.20000110.8S732 R736S732-T734 PolarHBondContact O-N 3.04Å; S732-T734 VanDerWaalsContact O-N 3.15Å; T734-R736 PolarHBondContact O-N 3.26Å
735T45.5Very low77.4Confident120 Ų12039.2 Ų39.274%0.73622%0.215SC*.SBendtrans-76.331.9-176.8490000114.1
736R53.1Low77.4Confident200 Ų20041.3 Ų41.376%0.75522%0.223SC*.SBendtrans-137.7151-177-69.2-173.1178.8-174.2-0.5109.8T734 V738T734-R736 PolarHBondContact O-N 3.26Å; R736-V738 WeakPolarHBondContact O-CG2 3.24Å; R736-V738 PolarHBondContact O-N 2.74Å
737P57.9Low77.4Confident68 Ų6843.1 Ų43.144%0.44224%0.235SC..  trans-54.4128.8174.923.5-34.1000109.9Q610 G739Q610-P737 HydrophobicContact CG-CB 4.14Å; P737-G739 VanDerWaalsContact C-N 3.26Å; P737-G739 PolarHBondContact O-N 2.83Å
738V74.2Confident77.4Confident28 Ų2847.1 Ų47.117%0.1726%0.26CS..  trans-82.6-8.5-162.2-178.20000112.4G607 G608 N729 L730 R736G607-V738 VanDerWaalsContact O-CB 3.25Å; G607-V738 WeakPolarHBondContact O-CB 3.29Å; G607-V738 WeakPolarHBondContact O-CG2 3.26Å; G608-V738 PolarHBondContact O-N 3.33Å; N729-V738 HydrophobicContact CB-CG1 3.35Å; N729-V738 PolarHBondContact ND2-O 3.17Å; L730-V738 HydrophobicContact CD2-CB 4.4Å; L730-V738 HydrophobicContact CD2-CG1 3.85Å; R736-V738 WeakPolarHBondContact O-CG2 3.24Å; R736-V738 PolarHBondContact O-N 2.74Å
739G86.1Confident77.7Confident8 Ų848.1 Ų48.18%0.08226%0.263CS..  trans177.5175.9169.400000111.2V609 Q610 P737V609-G739 WeakPolarHBondContact CA-O 3.41Å; Q610-G739 PolarHBondContact N-O 3.31Å; P737-G739 VanDerWaalsContact C-N 3.26Å; P737-G739 PolarHBondContact O-N 2.83Å
740Q90.6Very high78Confident24 Ų2448.6 Ų48.611%0.11227%0.266CS..EExtended strand (participates in β ladder)trans-123.9132168.7-173.1-175.910.600110.2Q610 P705 L706 L707 V742Q610-Q740 HydrophobicContact CB-CG 4.29Å; Q610-Q740 CarbonylContact O-C 3.59Å; Q610-Q740 WeakPolarHBondContact O-CA 3.39Å; P705-Q740 PolarHBondContact O-N 2.99Å; L706-Q740 WeakPolarHBondContact CA-O 3.26Å; L706-Q740 HydrophobicContact CD1-CB 4.18Å; L706-Q740 HydrophobicContact CD1-CG 4.41Å; L707-Q740 PolarHBondContact N-O 3.43Å; Q740-V742 HydrophobicContact CG-CG2 4.02Å
741S94.3Very high78.7Confident0 Ų051.7 Ų51.70%028%0.28CS..EExtended strand (participates in β ladder)trans-99.9131.1163.2171.10000108.9Q610 L611 D612 L707 H709 F723Q610-S741 PolarHBondContact O-N 3.08Å; L611-S741 WeakPolarHBondContact CD1-OG 3.46Å; D612-S741 PolarHBondContact N-O 2.88Å; L707-S741 CarbonylContact O-C 3.59Å; L707-S741 VanDerWaalsContact O-CA 3.32Å; L707-S741 WeakPolarHBondContact O-CA 3.18Å; H709-S741 PolarHBondContact CD2-OG 3.03Å; H709-S741 PolarHBondContact NE2-OG 3.23Å; F723-S741 WeakPolarHBondContact CE1-OG 3.46Å; F723-S741 WeakPolarHBondContact CZ-OG 3.42Å
742V94.7Very high79.8Confident0 Ų048.7 Ų48.70%027%0.268CS..EExtended strand (participates in β ladder)trans-119.8121.4172.9-175.70000108.5D612 R614 L629 L706 L707 I708 H709 Q740 F744D612-V742 HydrophobicContact CB-CG1 4.42Å; D612-V742 HydrophobicContact CB-CG2 4.19Å; D612-V742 WeakPolarHBondContact O-CA 3.43Å; R614-V742 HydrophobicContact CG-CG1 4.25Å; L629-V742 HydrophobicContact CD1-CG2 4.16Å; L629-V742 HydrophobicContact CD2-CB 4.23Å; L629-V742 HydrophobicContact CD2-CG1 4.21Å; L629-V742 HydrophobicContact CD2-CG2 4.03Å; L706-V742 HydrophobicContact CD1-CG2 3.86Å; L707-V742 PolarHBondContact O-N 3.32Å; I708-V742 CarbonylContact C-O 3.6Å; I708-V742 WeakPolarHBondContact CA-O 3.48Å; H709-V742 PolarHBondContact N-O 3.11Å; Q740-V742 HydrophobicContact CG-CG2 4.02Å; V742-F744 HydrophobicContact CG1-CD1 4.19Å; V742-F744 HydrophobicContact CG1-CE1 3.85Å
743V95.6Very high81.7Confident1 Ų146.7 Ų46.71%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-105.8124.9179.9-1750000109.8L611 D612 V613 R614 H709 F712 F719 L756L611-V743 HydrophobicContact CD1-CG2 3.93Å; D612-V743 PolarHBondContact O-N 3.48Å; V613-V743 CarbonylContact C-O 3.29Å; V613-V743 WeakPolarHBondContact CA-O 3.32Å; V613-V743 HydrophobicContact CG1-CB 4.43Å; V613-V743 HydrophobicContact CG2-CB 4.26Å; V613-V743 HydrophobicContact CG2-CG2 4.48Å; R614-V743 PolarHBondContact N-O 2.85Å; H709-V743 HydrophobicContact CB-CB 4.42Å; H709-V743 HydrophobicContact CB-CG1 4.27Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; F712-V743 HydrophobicContact CE1-CG1 3.83Å; F712-V743 HydrophobicContact CZ-CG1 3.78Å; F719-V743 HydrophobicContact CE2-CG1 4.26Å; F719-V743 HydrophobicContact CE2-CG2 4.3Å; F719-V743 HydrophobicContact CZ-CG1 4.42Å; F719-V743 HydrophobicContact CZ-CG2 3.92Å; V743-L756 HydrophobicContact CG1-CD1 4.44Å
744F95.3Very high83.9Confident1 Ų143.3 Ų43.30%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-92.5115.7167.4-65-7.3000108.2R614 K622 H625 L626 I708 H709 Y710 V742R614-F744 HydrophobicContact CB-CD1 4.2Å; R614-F744 WeakPolarHBondContact O-CA 3.35Å; K622-F744 HydrophobicContact CB-CD2 4.11Å; K622-F744 HydrophobicContact CB-CE2 4.3Å; K622-F744 HydrophobicContact CD-CD2 4.13Å; K622-F744 HydrophobicContact CG-CD2 3.98Å; H625-F744 HydrophobicContact CB-CE1 4.5Å; H625-F744 HydrophobicContact CB-CZ 4.27Å; L626-F744 HydrophobicContact CB-CE2 4.24Å; L626-F744 HydrophobicContact CB-CZ 4.26Å; I708-F744 HydrophobicContact CG2-CE2 4.48Å; I708-F744 HydrophobicContact CG2-CZ 4.38Å; H709-F744 PolarHBondContact O-N 3.35Å; Y710-F744 AromaticContact CD2-CD2 3.95Å; Y710-F744 HydrophobicContact CD2-CD2 3.95Å; Y710-F744 HydrophobicContact CD2-CE2 4.1Å; Y710-F744 HydrophobicContact CE2-CD2 4.31Å; Y710-F744 HydrophobicContact CE2-CE2 4.36Å; V742-F744 HydrophobicContact CG1-CD1 4.19Å; V742-F744 HydrophobicContact CG1-CE1 3.85Å
745A94.1Very high86Confident0 Ų041.7 Ų41.70%022%0.215CC..EExtended strand (participates in β ladder)trans-117.9133.8-177.900000110.4V613 R614 V615 V616 F712 I753V613-A745 HydrophobicContact CG1-CB 4.23Å; R614-A745 PolarHBondContact O-N 3.4Å; V615-A745 CarbonylContact C-O 3.56Å; V615-A745 VanDerWaalsContact CA-O 3.25Å; V615-A745 WeakPolarHBondContact CA-O 3.16Å; V616-A745 PolarHBondContact N-O 3.19Å; F712-A745 HydrophobicContact CE2-CB 3.59Å; F712-A745 HydrophobicContact CZ-CB 3.89Å; A745-I753 HydrophobicContact CB-CD1 4.47Å; A745-I753 HydrophobicContact CB-CG1 4.33Å
746K92.1Very high88.3Confident53 Ų5336 Ų3623%0.2318%0.18CC..  trans-83.5149.8172.1-58.8-159.8176.7-1550110.6V616 E619 T748 D749 I753V616-K746 WeakPolarHBondContact O-CA 3.38Å; E619-K746 WeakPolarHBondContact OE1-CE 3.36Å; E619-K746 IonicContact OE1-NZ 3.17Å; E619-K746 PolarHBondContact OE1-NZ 3.42Å; K746-T748 WeakPolarHBondContact CB-OG1 3.35Å; K746-T748 PolarHBondContact O-N 3.09Å; K746-D749 WeakPolarHBondContact CB-OD2 3.25Å; K746-D749 PolarHBondContact N-OD2 3.31Å; K746-D749 WeakPolarHBondContact O-CB 3.33Å; K746-D749 PolarHBondContact O-N 3Å; K746-I753 WeakPolarHBondContact O-CD1 3.39Å
747P91Very high90.3Very high38 Ų3826.5 Ų26.525%0.24714%0.144CC..THydrogen-bonded Turntrans-58.2-10.1170.4-24.233.9000114.6V615 A617 R778V615-P747 HydrophobicContact CG1-CG 3.81Å; A617-P747 HydrophobicContact CB-CG 4.46Å; P747-R778 PolarHBondContact O-NE 3.45Å; P747-R778 PolarHBondContact O-NH2 3.02Å; P747-R778 VanDerWaalsContact O-NH2 3.08Å
748T90.3Very high91.9Very high92 Ų9224.8 Ų24.856%0.56413%0.131SC*.THydrogen-bonded Turntrans-86.4-15.4172.450.30000114K746 V750K746-T748 WeakPolarHBondContact CB-OG1 3.35Å; K746-T748 PolarHBondContact O-N 3.09Å; T748-V750 PolarHBondContact O-N 3.1Å
749D91.1Very high92.8Very high42 Ų4224 Ų2423%0.22513%0.126CC..  trans-81.336.9-171.9-61.1-28.4000113F712 K746 E751 N752 I753F712-D749 HydrophobicContact CD2-CB 3.78Å; F712-D749 VanDerWaalsContact CD2-OD2 3.27Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.43Å; F712-D749 HydrophobicContact CE2-CB 3.65Å; F712-D749 WeakPolarHBondContact CE2-OD2 3.45Å; K746-D749 WeakPolarHBondContact CB-OD2 3.25Å; K746-D749 PolarHBondContact N-OD2 3.31Å; K746-D749 WeakPolarHBondContact O-CB 3.33Å; K746-D749 PolarHBondContact O-N 3Å; D749-E751 PolarHBondContact O-N 3.4Å; D749-E751 VanDerWaalsContact O-N 3.08Å; D749-N752 PolarHBondContact O-N 2.9Å; D749-I753 HydrophobicContact CB-CD1 4.37Å; D749-I753 HydrophobicContact CB-CG1 4.37Å; D749-I753 WeakPolarHBondContact O-CG1 3.41Å; D749-I753 PolarHBondContact O-N 3.46Å
750V91.3Very high93Very high20 Ų2024.6 Ų24.612%0.12113%0.126CC..Hα-helixtrans-46.1-45.8-170.5-176.20000112.3T748 N752 I753 W754 L775 R778T748-V750 PolarHBondContact O-N 3.1Å; V750-N752 VanDerWaalsContact C-N 3.34Å; V750-N752 PolarHBondContact O-N 3.42Å; V750-I753 PolarHBondContact O-N 2.77Å; V750-W754 WeakPolarHBondContact O-CB 3.22Å; V750-W754 PolarHBondContact O-N 2.99Å; V750-L775 HydrophobicContact CG1-CD2 3.78Å; V750-L775 WeakPolarHBondContact O-CD2 3.32Å; V750-R778 HydrophobicContact CG2-CB 4.04Å; V750-R778 HydrophobicContact CG2-CG 3.69Å
751E92Very high92.9Very high84 Ų8424.1 Ų24.139%0.39312%0.124SC..Hα-helixtrans-61.5-37-179.7179.758.7-161.700113.7D749 K755 H806D749-E751 PolarHBondContact O-N 3.4Å; D749-E751 VanDerWaalsContact O-N 3.08Å; E751-K755 WeakPolarHBondContact O-CD 3.21Å; E751-K755 WeakPolarHBondContact O-CG 2.99Å; E751-K755 WeakPolarHBondContact OE1-CE 3.45Å; E751-K755 IonicContact OE1-NZ 3.33Å; E751-K755 PolarHBondContact OE1-NZ 2.86Å; E751-H806 VanDerWaalsContact CD-NE2 3.35Å; E751-H806 IonicContact OE1-CE1 2.63Å; E751-H806 IonicContact OE1-NE2 2.7Å; E751-H806 PolarHBondContact OE1-NE2 3.2Å; E751-H806 IonicContact OE2-CD2 3.11Å; E751-H806 IonicContact OE2-CE1 2.66Å; E751-H806 IonicContact OE2-NE2 2.68Å; E751-H806 PolarHBondContact OE2-NE2 3.42Å
752N93.2Very high92.5Very high25 Ų2528.1 Ų28.113%0.13414%0.141CC..Hα-helixtrans-88.8-33179.3-68.9-44.5000111.8F712 D749 V750 W754 K755 L756F712-N752 HydrophobicContact CD1-CB 3.67Å; F712-N752 HydrophobicContact CD2-CB 3.99Å; F712-N752 HydrophobicContact CE1-CB 3.62Å; F712-N752 HydrophobicContact CE2-CB 3.92Å; F712-N752 HydrophobicContact CG-CB 3.87Å; F712-N752 HydrophobicContact CZ-CB 3.74Å; D749-N752 PolarHBondContact O-N 2.9Å; V750-N752 VanDerWaalsContact C-N 3.34Å; V750-N752 PolarHBondContact O-N 3.42Å; N752-W754 VanDerWaalsContact C-N 3.31Å; N752-W754 PolarHBondContact O-N 2.72Å; N752-K755 PolarHBondContact O-N 2.89Å; N752-L756 WeakPolarHBondContact O-CG 3.32Å; N752-L756 PolarHBondContact O-N 2.64Å
753I95Very high92.1Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-61.1-41170.5-67.3173.9000110.3A745 K746 D749 V750 L756 C757 L771 I774 L775A745-I753 HydrophobicContact CB-CD1 4.47Å; A745-I753 HydrophobicContact CB-CG1 4.33Å; K746-I753 WeakPolarHBondContact O-CD1 3.39Å; D749-I753 HydrophobicContact CB-CD1 4.37Å; D749-I753 HydrophobicContact CB-CG1 4.37Å; D749-I753 WeakPolarHBondContact O-CG1 3.41Å; D749-I753 PolarHBondContact O-N 3.46Å; V750-I753 PolarHBondContact O-N 2.77Å; I753-L756 PolarHBondContact O-N 2.89Å; I753-C757 WeakPolarHBondContact O-CB 3.32Å; I753-C757 PolarHBondContact O-N 3.07Å; I753-C757 PolarHBondContact O-SG 3.4Å; I753-L771 HydrophobicContact CG2-CB 3.91Å; I753-L771 HydrophobicContact CG2-CD2 4.34Å; I753-I774 HydrophobicContact CD1-CG2 4.19Å; I753-L775 HydrophobicContact CB-CD2 4.24Å; I753-L775 HydrophobicContact CG2-CD1 4.38Å; I753-L775 HydrophobicContact CG2-CD2 3.92Å; I753-L775 HydrophobicContact CG2-CG 4Å
754W94.8Very high91.4Very high27 Ų2734.4 Ų34.410%0.10217%0.168CC..Hα-helixtrans-61.5-46.5175.6-166.896.6000111.6V750 N752 L756 C757 D758 L775 L804 H806 L960V750-W754 WeakPolarHBondContact O-CB 3.22Å; V750-W754 PolarHBondContact O-N 2.99Å; N752-W754 VanDerWaalsContact C-N 3.31Å; N752-W754 PolarHBondContact O-N 2.72Å; W754-L756 VanDerWaalsContact C-N 3.34Å; W754-L756 PolarHBondContact O-N 3.04Å; W754-C757 PolarHBondContact O-N 2.89Å; W754-D758 HydrophobicContact CE3-CB 4.1Å; W754-D758 HydrophobicContact CH2-CB 4.27Å; W754-D758 HydrophobicContact CZ3-CB 3.82Å; W754-D758 WeakPolarHBondContact O-CB 3.5Å; W754-D758 PolarHBondContact O-N 2.88Å; W754-L775 HydrophobicContact CB-CD1 4.29Å; W754-L775 HydrophobicContact CB-CD2 3.98Å; W754-L775 HydrophobicContact CG-CD1 4.43Å; W754-L804 PolarHBondContact NE1-O 2.86Å; W754-H806 HydrophobicContact CD2-CB 4.11Å; W754-H806 AromaticContact CD2-CD2 3.7Å; W754-H806 AromaticContact CE3-CD2 3.81Å; W754-H806 AromaticContact CG-CD2 3.97Å; W754-H806 HydrophobicContact CH2-CB 4.23Å; W754-H806 HydrophobicContact CZ2-CB 3.77Å; W754-L960 HydrophobicContact CD2-CD1 3.89Å; W754-L960 HydrophobicContact CG-CD1 4.16Å; W754-L960 HydrophobicContact CZ2-CB 3.83Å; W754-L960 HydrophobicContact CZ2-CD1 3.91Å; W754-L960 HydrophobicContact CZ2-CG 4.45Å
755K94.1Very high90.9Very high45 Ų4535.1 Ų35.120%0.19617%0.172CC..Hα-helixtrans-63.2-36177-71165.2-174157.30113.1W716 E751 N752 F759W716-K755 HydrophobicContact CB-CD 4.06Å; W716-K755 HydrophobicContact CD2-CB 4.07Å; W716-K755 HydrophobicContact CD2-CD 3.86Å; W716-K755 HydrophobicContact CD2-CG 4.43Å; W716-K755 HydrophobicContact CE3-CB 4.02Å; W716-K755 HydrophobicContact CE3-CD 4.05Å; W716-K755 HydrophobicContact CG-CD 3.86Å; W716-K755 HydrophobicContact CH2-CB 3.96Å; W716-K755 HydrophobicContact CZ2-CB 3.97Å; W716-K755 HydrophobicContact CZ3-CB 3.96Å; E751-K755 WeakPolarHBondContact O-CD 3.21Å; E751-K755 WeakPolarHBondContact O-CG 2.99Å; E751-K755 WeakPolarHBondContact OE1-CE 3.45Å; E751-K755 IonicContact OE1-NZ 3.33Å; E751-K755 PolarHBondContact OE1-NZ 2.86Å; N752-K755 PolarHBondContact O-N 2.89Å; K755-F759 VanDerWaalsContact O-CB 3.28Å; K755-F759 WeakPolarHBondContact O-CB 3.41Å; K755-F759 PolarHBondContact O-N 2.97Å
756L94.4Very high90.5Very high0 Ų038.2 Ų38.20%019%0.192CC..Hα-helixtrans-66.5-47.1171.2-76.5169.2000111.4L611 V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760L611-L756 HydrophobicContact CD2-CD2 4.36Å; V613-L756 HydrophobicContact CG1-CD1 4.18Å; V613-L756 HydrophobicContact CG2-CD1 4.18Å; F712-L756 HydrophobicContact CE1-CD1 3.83Å; F712-L756 HydrophobicContact CZ-CD1 3.68Å; W716-L756 HydrophobicContact CH2-CD2 4.1Å; W716-L756 HydrophobicContact CH2-CG 4.28Å; W716-L756 HydrophobicContact CZ3-CG 4.44Å; F719-L756 HydrophobicContact CE1-CD2 4.29Å; F719-L756 HydrophobicContact CZ-CD2 4.37Å; V743-L756 HydrophobicContact CG1-CD1 4.44Å; N752-L756 WeakPolarHBondContact O-CG 3.32Å; N752-L756 PolarHBondContact O-N 2.64Å; I753-L756 PolarHBondContact O-N 2.89Å; W754-L756 VanDerWaalsContact C-N 3.34Å; W754-L756 PolarHBondContact O-N 3.04Å; L756-D758 VanDerWaalsContact C-N 3.31Å; L756-D758 PolarHBondContact O-N 3.24Å; L756-F759 WeakPolarHBondContact O-CB 3.47Å; L756-F759 PolarHBondContact O-N 3.08Å; L756-Y760 VanDerWaalsContact O-CD2 3.25Å; L756-Y760 WeakPolarHBondContact O-CD2 3.2Å; L756-Y760 PolarHBondContact O-N 2.78Å
757C94.2Very high90.2Very high0 Ų038 Ų380%019%0.19CC..Hα-helixtrans-60.6-41.5178.1-67.20000112.2I753 W754 Y760 M761 P768 L771 L772 L775 L960I753-C757 WeakPolarHBondContact O-CB 3.32Å; I753-C757 PolarHBondContact O-N 3.07Å; I753-C757 PolarHBondContact O-SG 3.4Å; W754-C757 PolarHBondContact O-N 2.89Å; C757-Y760 PolarHBondContact O-N 2.84Å; C757-M761 WeakPolarHBondContact O-CG 3.48Å; C757-M761 PolarHBondContact O-N 2.64Å; C757-P768 HydrophobicContact CB-CG 4.39Å; C757-L771 WeakPolarHBondContact SG-CB 3.31Å; C757-L772 HydrophobicContact CB-CD2 3.8Å; C757-L775 HydrophobicContact CB-CD1 4.18Å; C757-L960 HydrophobicContact CB-CD1 3.75Å; C757-L960 HydrophobicContact CB-CD2 4.24Å
758D92.1Very high90.2Very high32 Ų3237 Ų3717%0.17118%0.184CC..Hα-helixtrans-60.8-44.7175176.560.1000111.5W754 L756 K762 L960W754-D758 HydrophobicContact CE3-CB 4.1Å; W754-D758 HydrophobicContact CH2-CB 4.27Å; W754-D758 HydrophobicContact CZ3-CB 3.82Å; W754-D758 WeakPolarHBondContact O-CB 3.5Å; W754-D758 PolarHBondContact O-N 2.88Å; L756-D758 VanDerWaalsContact C-N 3.31Å; L756-D758 PolarHBondContact O-N 3.24Å; D758-K762 WeakPolarHBondContact O-CB 3.27Å; D758-K762 WeakPolarHBondContact O-CD 3.39Å; D758-K762 WeakPolarHBondContact O-CG 3.46Å; D758-K762 PolarHBondContact O-N 3.05Å; D758-K762 WeakPolarHBondContact OD1-CE 3.3Å; D758-K762 IonicContact OD1-NZ 3.95Å; D758-K762 PolarHBondContact OD1-NZ 2.87Å; D758-K762 IonicContact OD2-NZ 3.72Å; D758-K762 PolarHBondContact OD2-NZ 3.34Å; D758-L960 HydrophobicContact CB-CD1 3.96Å
759F92Very high90.2Very high13 Ų1335 Ų356%0.05718%0.181CC..Hα-helixtrans-62.5-46.9175.2178-94.9000112.6L601 E602 V605 L611 K755 L756 M761 K762 H763 L765L601-F759 HydrophobicContact CD1-CE1 4.02Å; L601-F759 HydrophobicContact CD1-CE2 4.12Å; L601-F759 HydrophobicContact CD1-CZ 3.57Å; L601-F759 HydrophobicContact CD2-CD1 4.46Å; L601-F759 HydrophobicContact CD2-CD2 3.75Å; L601-F759 HydrophobicContact CD2-CE1 4.24Å; L601-F759 HydrophobicContact CD2-CE2 3.49Å; L601-F759 VanDerWaalsContact CD2-CE2 3.49Å; L601-F759 HydrophobicContact CD2-CG 4.23Å; L601-F759 HydrophobicContact CD2-CZ 3.75Å; L601-F759 HydrophobicContact CG-CD2 4.22Å; L601-F759 HydrophobicContact CG-CE1 4.22Å; L601-F759 HydrophobicContact CG-CE2 3.43Å; L601-F759 VanDerWaalsContact CG-CE2 3.43Å; L601-F759 HydrophobicContact CG-CZ 3.42Å; L601-F759 VanDerWaalsContact CG-CZ 3.42Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.01Å; V605-F759 HydrophobicContact CG2-CE1 4.29Å; V605-F759 HydrophobicContact CG2-CE2 4.25Å; V605-F759 HydrophobicContact CG2-CZ 3.48Å; V605-F759 VanDerWaalsContact CG2-CZ 3.48Å; L611-F759 HydrophobicContact CD2-CD1 4.31Å; L611-F759 HydrophobicContact CD2-CE1 4.03Å; K755-F759 VanDerWaalsContact O-CB 3.28Å; K755-F759 WeakPolarHBondContact O-CB 3.41Å; K755-F759 PolarHBondContact O-N 2.97Å; L756-F759 WeakPolarHBondContact O-CB 3.47Å; L756-F759 PolarHBondContact O-N 3.08Å; F759-M761 PolarHBondContact O-N 2.94Å; F759-K762 PolarHBondContact O-N 3.25Å; F759-H763 AromaticContact CD2-CD2 3.49Å; F759-H763 VanDerWaalsContact CD2-CD2 3.49Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.47Å; F759-H763 AromaticContact CD2-NE2 3.79Å; F759-H763 AromaticContact CE1-CD2 4Å; F759-H763 AromaticContact CE2-CD2 3.22Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.43Å; F759-H763 AromaticContact CE2-NE2 3.25Å; F759-H763 VanDerWaalsContact CE2-NE2 3.25Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.41Å; F759-H763 AromaticContact CG-CD2 3.99Å; F759-H763 AromaticContact CZ-CD2 3.51Å; F759-H763 AromaticContact CZ-NE2 3.79Å; F759-H763 WeakPolarHBondContact O-CB 3.38Å; F759-H763 PolarHBondContact O-CD2 3.11Å; F759-H763 PolarHBondContact O-N 3.09Å; F759-H763 VanDerWaalsContact O-N 3.08Å; F759-L765 HydrophobicContact CE1-CD1 4.3Å
760Y91.1Very high90.2Very high19 Ų1939.2 Ų39.28%0.07520%0.199CC..Hα-helixtrans-57.4-48.9176.7-90.2-116.2000111.4L611 V613 L756 C757 H763 K764 L765 P766 P768L611-Y760 HydrophobicContact CD2-CD2 4.46Å; L611-Y760 HydrophobicContact CD2-CE2 3.58Å; L611-Y760 HydrophobicContact CG-CE2 4.11Å; L611-Y760 PolarHBondContact O-OH 3.46Å; V613-Y760 HydrophobicContact CG2-CE2 4.26Å; L756-Y760 VanDerWaalsContact O-CD2 3.25Å; L756-Y760 WeakPolarHBondContact O-CD2 3.2Å; L756-Y760 PolarHBondContact O-N 2.78Å; C757-Y760 PolarHBondContact O-N 2.84Å; Y760-H763 PolarHBondContact O-N 2.75Å; Y760-K764 PolarHBondContact O-N 3.03Å; Y760-L765 HydrophobicContact CD1-CB 3.46Å; Y760-L765 VanDerWaalsContact CD1-CB 3.46Å; Y760-L765 HydrophobicContact CD1-CD1 3.9Å; Y760-L765 HydrophobicContact CD1-CG 4.27Å; Y760-L765 HydrophobicContact CD2-CD1 4.06Å; Y760-L765 HydrophobicContact CE1-CB 4.11Å; Y760-L765 HydrophobicContact CE1-CD1 4.12Å; Y760-L765 HydrophobicContact CE2-CD1 4.31Å; Y760-L765 HydrophobicContact CG-CB 3.9Å; Y760-L765 HydrophobicContact CG-CD1 3.86Å; Y760-L765 HydrophobicContact CG-CG 4.36Å; Y760-L765 PolarHBondContact O-N 3.29Å; Y760-P766 WeakPolarHBondContact CD1-O 3.47Å; Y760-P768 HydrophobicContact CD1-CB 4.36Å; Y760-P768 HydrophobicContact CD1-CG 4.27Å; Y760-P768 HydrophobicContact CG-CG 4.23Å
761M87.4Confident90.3Very high14 Ų1438.7 Ų38.77%0.06920%0.195CC..Hα-helixtrans-62.4-44178.3-67.1-60.8-51.600111.9C757 F759 H763 K764 R767 E958 L960C757-M761 WeakPolarHBondContact O-CG 3.48Å; C757-M761 PolarHBondContact O-N 2.64Å; F759-M761 PolarHBondContact O-N 2.94Å; M761-H763 PolarHBondContact O-N 3.29Å; M761-K764 PolarHBondContact O-N 3.43Å; M761-R767 HydrophobicContact SD-CB 4.29Å; M761-R767 HydrophobicContact SD-CG 3.94Å; M761-E958 HydrophobicContact CE-CB 3.83Å; M761-E958 HydrophobicContact CE-CG 3.98Å; M761-L960 HydrophobicContact CG-CD2 4.14Å
762K86.1Confident90.4Very high85 Ų8535.2 Ų35.237%0.3718%0.179SC..Hα-helixtrans-62.6-28.2178.6-82.8164166.21440114I576 H578 D758 F759I576-K762 HydrophobicContact CD1-CB 4.43Å; I576-K762 HydrophobicContact CD1-CD 3.98Å; I576-K762 HydrophobicContact CD1-CG 4.27Å; H578-K762 PolarHBondContact CE1-O 2.67Å; H578-K762 PolarHBondContact ND1-O 3.33Å; D758-K762 WeakPolarHBondContact O-CB 3.27Å; D758-K762 WeakPolarHBondContact O-CD 3.39Å; D758-K762 WeakPolarHBondContact O-CG 3.46Å; D758-K762 PolarHBondContact O-N 3.05Å; D758-K762 WeakPolarHBondContact OD1-CE 3.3Å; D758-K762 IonicContact OD1-NZ 3.95Å; D758-K762 PolarHBondContact OD1-NZ 2.87Å; D758-K762 IonicContact OD2-NZ 3.72Å; D758-K762 PolarHBondContact OD2-NZ 3.34Å; F759-K762 PolarHBondContact O-N 3.25Å
763H86.3Confident90.4Very high19 Ų1935.5 Ų35.59%0.08819%0.188CC..THydrogen-bonded Turntrans-100.18.5-179.2-77.5-65.8000114.6I576 W577 E602 F759 Y760 M761 L765I576-H763 WeakPolarHBondContact CG2-CE1 3.45Å; W577-H763 PolarHBondContact O-CE1 3.4Å; W577-H763 VanDerWaalsContact O-CE1 3.25Å; W577-H763 PolarHBondContact O-ND1 3.48Å; W577-H763 VanDerWaalsContact O-ND1 3.17Å; E602-H763 IonicContact OE1-CE1 3.91Å; E602-H763 IonicContact OE1-NE2 3.42Å; E602-H763 PolarHBondContact OE1-NE2 3.48Å; E602-H763 IonicContact OE2-CE1 3.49Å; E602-H763 PolarHBondContact OE2-CE1 3.22Å; E602-H763 IonicContact OE2-NE2 2.62Å; E602-H763 PolarHBondContact OE2-NE2 2.91Å; E602-H763 VanDerWaalsContact OE2-NE2 3.11Å; F759-H763 AromaticContact CD2-CD2 3.49Å; F759-H763 VanDerWaalsContact CD2-CD2 3.49Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.47Å; F759-H763 AromaticContact CD2-NE2 3.79Å; F759-H763 AromaticContact CE1-CD2 4Å; F759-H763 AromaticContact CE2-CD2 3.22Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.43Å; F759-H763 AromaticContact CE2-NE2 3.25Å; F759-H763 VanDerWaalsContact CE2-NE2 3.25Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.41Å; F759-H763 AromaticContact CG-CD2 3.99Å; F759-H763 AromaticContact CZ-CD2 3.51Å; F759-H763 AromaticContact CZ-NE2 3.79Å; F759-H763 WeakPolarHBondContact O-CB 3.38Å; F759-H763 PolarHBondContact O-CD2 3.11Å; F759-H763 PolarHBondContact O-N 3.09Å; F759-H763 VanDerWaalsContact O-N 3.08Å; Y760-H763 PolarHBondContact O-N 2.75Å; M761-H763 PolarHBondContact O-N 3.29Å; H763-L765 HydrophobicContact CB-CD1 4.44Å; H763-L765 HydrophobicContact CB-CD2 4.01Å; H763-L765 HydrophobicContact CB-CG 3.87Å; H763-L765 PolarHBondContact O-N 2.99Å
764K81.6Confident90.3Very high113 Ų11336.5 Ų36.549%0.49119%0.193SC..THydrogen-bonded Turntrans54.829.8-174.6-59.6-179.5167.5-175.20113.8D580 Y760 M761D580-K764 WeakPolarHBondContact OD2-CE 3.24Å; D580-K764 IonicContact OD2-NZ 2.74Å; D580-K764 PolarHBondContact OD2-NZ 3.33Å; Y760-K764 PolarHBondContact O-N 3.03Å; M761-K764 PolarHBondContact O-N 3.43Å
765L84.1Confident90.3Very high17 Ų1735.3 Ų35.39%0.08919%0.189CC..  trans-72158.6173.4-49.3-170.2000109.5L340 F759 Y760 H763 R767L340-L765 HydrophobicContact CD2-CD2 3.69Å; L340-L765 HydrophobicContact CG-CD2 4.29Å; F759-L765 HydrophobicContact CE1-CD1 4.3Å; Y760-L765 HydrophobicContact CD1-CB 3.46Å; Y760-L765 VanDerWaalsContact CD1-CB 3.46Å; Y760-L765 HydrophobicContact CD1-CD1 3.9Å; Y760-L765 HydrophobicContact CD1-CG 4.27Å; Y760-L765 HydrophobicContact CD2-CD1 4.06Å; Y760-L765 HydrophobicContact CE1-CB 4.11Å; Y760-L765 HydrophobicContact CE1-CD1 4.12Å; Y760-L765 HydrophobicContact CE2-CD1 4.31Å; Y760-L765 HydrophobicContact CG-CB 3.9Å; Y760-L765 HydrophobicContact CG-CD1 3.86Å; Y760-L765 HydrophobicContact CG-CG 4.36Å; Y760-L765 PolarHBondContact O-N 3.29Å; H763-L765 HydrophobicContact CB-CD1 4.44Å; H763-L765 HydrophobicContact CB-CD2 4.01Å; H763-L765 HydrophobicContact CB-CG 3.87Å; H763-L765 PolarHBondContact O-N 2.99Å; L765-R767 PolarHBondContact O-N 3.14Å
766P85.6Confident90.2Very high64 Ų6434.3 Ų34.342%0.41619%0.188SC..  trans-49.5126.1175.5-28.736.5000111.5A338 Y760 P768A338-P766 HydrophobicContact CB-CG 3.94Å; Y760-P766 WeakPolarHBondContact CD1-O 3.47Å; P766-P768 WeakPolarHBondContact O-CD 3.5Å; P766-P768 VanDerWaalsContact O-N 3.14Å
767R87.3Confident90Very high49 Ų4938.9 Ų38.919%0.18521%0.209CC..  trans-60114.9-173177.3174.3172.788.1-11109.6M761 L765 G769 L772 H1024M761-R767 HydrophobicContact SD-CB 4.29Å; M761-R767 HydrophobicContact SD-CG 3.94Å; L765-R767 PolarHBondContact O-N 3.14Å; R767-G769 VanDerWaalsContact C-N 3.3Å; R767-G769 PolarHBondContact O-N 3.23Å; R767-L772 HydrophobicContact CG-CD1 3.82Å; R767-H1024 WeakPolarHBondContact CD-NE2 3.5Å; R767-H1024 PolarHBondContact NE-CD2 3.35Å; R767-H1024 PolarHBondContact NE-NE2 3.47Å
768P90.4Very high89.8Confident18 Ų1842.1 Ų42.112%0.11722%0.221CC..  trans-80.174.5-165.532.1-36.8000111.7C757 Y760 P766 H770 L771 L772C757-P768 HydrophobicContact CB-CG 4.39Å; Y760-P768 HydrophobicContact CD1-CB 4.36Å; Y760-P768 HydrophobicContact CD1-CG 4.27Å; Y760-P768 HydrophobicContact CG-CG 4.23Å; P766-P768 WeakPolarHBondContact O-CD 3.5Å; P766-P768 VanDerWaalsContact O-N 3.14Å; P768-H770 VanDerWaalsContact C-N 3.29Å; P768-H770 PolarHBondContact O-N 3.44Å; P768-H770 VanDerWaalsContact O-N 3.17Å; P768-L771 HydrophobicContact CB-CB 4.13Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.07Å; P768-L771 HydrophobicContact CG-CB 4.46Å; P768-L771 HydrophobicContact CG-CD1 4.39Å; P768-L771 WeakPolarHBondContact O-CB 3.33Å; P768-L771 PolarHBondContact O-N 3.06Å; P768-L772 PolarHBondContact O-N 2.98Å
769G90.1Very high89.5Confident48 Ų4841.4 Ų41.450%0.49522%0.216SC..Hα-helixtrans-53.3-39.9-169.800000114.5R767 L772 G773R767-G769 VanDerWaalsContact C-N 3.3Å; R767-G769 PolarHBondContact O-N 3.23Å; G769-L772 PolarHBondContact O-N 3.46Å; G769-G773 PolarHBondContact O-N 3.48Å
770H90.8Very high89.2Confident132 Ų13243.5 Ų43.561%0.61123%0.228SC*.Hα-helixtrans-62.4-44.5176-175.9-119.1000112.7P768 G773 I774P768-H770 VanDerWaalsContact C-N 3.29Å; P768-H770 PolarHBondContact O-N 3.44Å; P768-H770 VanDerWaalsContact O-N 3.17Å; H770-G773 PolarHBondContact O-N 2.81Å; H770-I774 PolarHBondContact O-N 2.61Å; H770-I774 VanDerWaalsContact O-N 3.16Å
771L94.4Very high89Confident8 Ų845.8 Ų45.84%0.04224%0.239CC..Hα-helixtrans-66.2-39.8177.9-59.2-173.3000111.5V613 V615 I753 C757 P768 G773 I774 L775V613-L771 HydrophobicContact CB-CD1 4.26Å; V613-L771 HydrophobicContact CG1-CD1 3.96Å; V613-L771 HydrophobicContact CG1-CD2 4.13Å; V615-L771 HydrophobicContact CG2-CD2 3.37Å; I753-L771 HydrophobicContact CG2-CB 3.91Å; I753-L771 HydrophobicContact CG2-CD2 4.34Å; C757-L771 WeakPolarHBondContact SG-CB 3.31Å; P768-L771 HydrophobicContact CB-CB 4.13Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.07Å; P768-L771 HydrophobicContact CG-CB 4.46Å; P768-L771 HydrophobicContact CG-CD1 4.39Å; P768-L771 WeakPolarHBondContact O-CB 3.33Å; P768-L771 PolarHBondContact O-N 3.06Å; L771-G773 VanDerWaalsContact C-N 3.29Å; L771-G773 PolarHBondContact O-N 3.15Å; L771-I774 HydrophobicContact CD2-CD1 4.43Å; L771-I774 PolarHBondContact O-N 3.05Å; L771-L775 WeakPolarHBondContact O-CG 3.29Å; L771-L775 PolarHBondContact O-N 3.09Å; L771-L775 VanDerWaalsContact O-N 3.15Å
772L93.6Very high88.8Confident11 Ų1148.8 Ų48.86%0.05825%0.253CS..Hα-helixtrans-62.8-37173.6-61.2-179.4000111.7C757 R767 P768 G769 L775 S776 L804 L960C757-L772 HydrophobicContact CB-CD2 3.8Å; R767-L772 HydrophobicContact CG-CD1 3.82Å; P768-L772 PolarHBondContact O-N 2.98Å; G769-L772 PolarHBondContact O-N 3.46Å; L772-L775 HydrophobicContact CD2-CD1 4.26Å; L772-L775 PolarHBondContact O-N 3.39Å; L772-S776 PolarHBondContact O-N 3.13Å; L772-S776 PolarHBondContact O-OG 3.08Å; L772-L804 HydrophobicContact CB-CD2 4.18Å; L772-L804 HydrophobicContact CD2-CD1 4.23Å; L772-L804 HydrophobicContact CD2-CD2 4.33Å; L772-L960 HydrophobicContact CD2-CD2 3.68Å
773G92.9Very high88.3Confident31 Ų3146.1 Ų46.132%0.3224%0.242SC..Hα-helixtrans-55.9-50.5172.300000112.3G769 H770 L771 L775 S776 Q777G769-G773 PolarHBondContact O-N 3.48Å; H770-G773 PolarHBondContact O-N 2.81Å; L771-G773 VanDerWaalsContact C-N 3.29Å; L771-G773 PolarHBondContact O-N 3.15Å; G773-L775 VanDerWaalsContact C-N 3.33Å; G773-L775 PolarHBondContact O-N 3.06Å; G773-S776 WeakPolarHBondContact CA-OG 3.4Å; G773-S776 PolarHBondContact O-N 2.67Å; G773-S776 VanDerWaalsContact O-N 3.17Å; G773-S776 PolarHBondContact O-OG 3.06Å; G773-Q777 WeakPolarHBondContact O-CB 3.37Å; G773-Q777 PolarHBondContact O-N 2.67Å
774I93.4Very high87.7Confident21 Ų2151.3 Ų51.311%0.10827%0.266CS..Hα-helixtrans-57.9-44.5177.1-63.1164.9000111.3V615 I753 H770 L771 S776 Q777 R778V615-I774 HydrophobicContact CB-CD1 4.25Å; V615-I774 HydrophobicContact CG1-CD1 3.69Å; V615-I774 HydrophobicContact CG2-CD1 3.69Å; I753-I774 HydrophobicContact CD1-CG2 4.19Å; H770-I774 PolarHBondContact O-N 2.61Å; H770-I774 VanDerWaalsContact O-N 3.16Å; L771-I774 HydrophobicContact CD2-CD1 4.43Å; L771-I774 PolarHBondContact O-N 3.05Å; I774-S776 PolarHBondContact O-N 2.93Å; I774-Q777 PolarHBondContact O-N 3.01Å; I774-R778 HydrophobicContact CG2-CG 4.38Å; I774-R778 WeakPolarHBondContact O-CB 3.09Å; I774-R778 VanDerWaalsContact O-CG 3.29Å; I774-R778 WeakPolarHBondContact O-CG 3.42Å; I774-R778 PolarHBondContact O-N 3.31Å
775L93.5Very high87.3Confident2 Ų252.8 Ų52.81%0.0128%0.278CS..Hα-helixtrans-60.9-45.1177.1-63.8174.2000111.6V750 I753 W754 C757 L771 L772 G773 R779 L804V750-L775 HydrophobicContact CG1-CD2 3.78Å; V750-L775 WeakPolarHBondContact O-CD2 3.32Å; I753-L775 HydrophobicContact CB-CD2 4.24Å; I753-L775 HydrophobicContact CG2-CD1 4.38Å; I753-L775 HydrophobicContact CG2-CD2 3.92Å; I753-L775 HydrophobicContact CG2-CG 4Å; W754-L775 HydrophobicContact CB-CD1 4.29Å; W754-L775 HydrophobicContact CB-CD2 3.98Å; W754-L775 HydrophobicContact CG-CD1 4.43Å; C757-L775 HydrophobicContact CB-CD1 4.18Å; L771-L775 WeakPolarHBondContact O-CG 3.29Å; L771-L775 PolarHBondContact O-N 3.09Å; L771-L775 VanDerWaalsContact O-N 3.15Å; L772-L775 HydrophobicContact CD2-CD1 4.26Å; L772-L775 PolarHBondContact O-N 3.39Å; G773-L775 VanDerWaalsContact C-N 3.33Å; G773-L775 PolarHBondContact O-N 3.06Å; L775-R779 VanDerWaalsContact O-CG 3.27Å; L775-R779 WeakPolarHBondContact O-CG 3.05Å; L775-R779 PolarHBondContact O-N 2.85Å; L775-L804 HydrophobicContact CB-CD2 4.23Å
776S92.5Very high86.4Confident24 Ų2457.8 Ų57.817%0.16830%0.301CS..Hα-helixtrans-67.1-40.2178.558.90000113.4L772 G773 I774 R779 L780L772-S776 PolarHBondContact O-N 3.13Å; L772-S776 PolarHBondContact O-OG 3.08Å; G773-S776 WeakPolarHBondContact CA-OG 3.4Å; G773-S776 PolarHBondContact O-N 2.67Å; G773-S776 VanDerWaalsContact O-N 3.17Å; G773-S776 PolarHBondContact O-OG 3.06Å; I774-S776 PolarHBondContact O-N 2.93Å; S776-R779 PolarHBondContact O-N 2.98Å; S776-L780 PolarHBondContact O-N 3.12Å
777Q90.8Very high85.3Confident96 Ų9662.6 Ų62.645%0.44932%0.318SS..Hα-helixtrans-65.1-45.6178.8175.958.425.500111.2G773 I774 R779 L780 E781G773-Q777 WeakPolarHBondContact O-CB 3.37Å; G773-Q777 PolarHBondContact O-N 2.67Å; I774-Q777 PolarHBondContact O-N 3.01Å; Q777-R779 VanDerWaalsContact C-N 3.28Å; Q777-R779 PolarHBondContact O-N 2.77Å; Q777-L780 WeakPolarHBondContact O-CB 3.32Å; Q777-L780 PolarHBondContact O-N 3.11Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.42Å; Q777-E781 PolarHBondContact NE2-OE1 3.42Å; Q777-E781 PolarHBondContact O-N 3.29Å; Q777-E781 VanDerWaalsContact O-N 3.12Å
778R88.9Confident83.9Confident68 Ų6862 Ų6226%0.25732%0.321SS..Hα-helixtrans-61.1-34.5177.7-73.7-77.3-173.9-146.37.9112.9P747 V750 I774 L780 E781 E782P747-R778 PolarHBondContact O-NE 3.45Å; P747-R778 PolarHBondContact O-NH2 3.02Å; P747-R778 VanDerWaalsContact O-NH2 3.08Å; V750-R778 HydrophobicContact CG2-CB 4.04Å; V750-R778 HydrophobicContact CG2-CG 3.69Å; I774-R778 HydrophobicContact CG2-CG 4.38Å; I774-R778 WeakPolarHBondContact O-CB 3.09Å; I774-R778 VanDerWaalsContact O-CG 3.29Å; I774-R778 WeakPolarHBondContact O-CG 3.42Å; I774-R778 PolarHBondContact O-N 3.31Å; R778-L780 PolarHBondContact O-N 3.46Å; R778-E781 WeakPolarHBondContact CD-OE2 3.45Å; R778-E781 IonicContact CZ-OE2 3.99Å; R778-E781 IonicContact NE-OE2 3.55Å; R778-E781 IonicContact NH1-OE2 3.46Å; R778-E781 PolarHBondContact NH1-OE2 3.09Å; R778-E781 PolarHBondContact O-N 2.82Å; R778-E782 WeakPolarHBondContact O-CB 3.42Å; R778-E782 WeakPolarHBondContact O-CG 3.43Å; R778-E782 PolarHBondContact O-N 3.25Å
779R87.6Confident82.3Confident18 Ų1867 Ų677%0.06835%0.351CS..Hα-helixtrans-68.1-20175.1-69-75.3176.6-98.3-11.6114.2L775 S776 Q777 E782 R805 H806 H812L775-R779 VanDerWaalsContact O-CG 3.27Å; L775-R779 WeakPolarHBondContact O-CG 3.05Å; L775-R779 PolarHBondContact O-N 2.85Å; S776-R779 PolarHBondContact O-N 2.98Å; Q777-R779 VanDerWaalsContact C-N 3.28Å; Q777-R779 PolarHBondContact O-N 2.77Å; R779-E782 WeakPolarHBondContact CD-OE2 3.3Å; R779-E782 IonicContact CZ-OE2 2.67Å; R779-E782 IonicContact NE-OE2 3.25Å; R779-E782 IonicContact NH1-OE1 2.72Å; R779-E782 PolarHBondContact NH1-OE1 3.12Å; R779-E782 IonicContact NH1-OE2 2.81Å; R779-E782 PolarHBondContact NH1-OE2 2.94Å; R779-R805 PolarHBondContact NE-O 3.43Å; R779-R805 PolarHBondContact NH2-O 3.06Å; R779-H806 PolarHBondContact NH2-O 3.15Å; R779-H812 PolarHBondContact O-ND1 3.26Å
780L85.7Confident81.1Confident57 Ų5766 Ų6630%0.29834%0.337SS..Hα-helixtrans-81.3-52170.3-60.6173.5000109.6S776 Q777 R778 E782 Q783 E784 M797 H812S776-L780 PolarHBondContact O-N 3.12Å; Q777-L780 WeakPolarHBondContact O-CB 3.32Å; Q777-L780 PolarHBondContact O-N 3.11Å; R778-L780 PolarHBondContact O-N 3.46Å; L780-E782 PolarHBondContact O-N 3.44Å; L780-Q783 CarbonylContact O-C 3.54Å; L780-Q783 WeakPolarHBondContact O-CA 3.46Å; L780-Q783 PolarHBondContact O-N 3.07Å; L780-E784 PolarHBondContact O-N 2.85Å; L780-M797 HydrophobicContact CD2-CE 4.19Å; L780-H812 HydrophobicContact CD2-CB 3.83Å
781E86.6Confident80Confident66 Ų6667.9 Ų67.931%0.30834%0.338SS..Hα-helixtrans-57.2-44.8-179.7-66.4168.9-175.300113.1Q777 R778 Q783 E784 L785Q777-E781 WeakPolarHBondContact CG-OE1 3.42Å; Q777-E781 PolarHBondContact NE2-OE1 3.42Å; Q777-E781 PolarHBondContact O-N 3.29Å; Q777-E781 VanDerWaalsContact O-N 3.12Å; R778-E781 WeakPolarHBondContact CD-OE2 3.45Å; R778-E781 IonicContact CZ-OE2 3.99Å; R778-E781 IonicContact NE-OE2 3.55Å; R778-E781 IonicContact NH1-OE2 3.46Å; R778-E781 PolarHBondContact NH1-OE2 3.09Å; R778-E781 PolarHBondContact O-N 2.82Å; E781-Q783 PolarHBondContact O-N 2.93Å; E781-Q783 VanDerWaalsContact O-N 3.13Å; E781-E784 PolarHBondContact O-N 3.03Å; E781-E784 VanDerWaalsContact O-N 3.09Å; E781-L785 PolarHBondContact O-N 3.49Å
782E81.9Confident79.4Confident77 Ų7770.2 Ų70.236%0.3636%0.355SS..Hα-helixtrans-53.7-32.7174.5-77.3166.5175.200112.4R778 R779 L780 H786R778-E782 WeakPolarHBondContact O-CB 3.42Å; R778-E782 WeakPolarHBondContact O-CG 3.43Å; R778-E782 PolarHBondContact O-N 3.25Å; R779-E782 WeakPolarHBondContact CD-OE2 3.3Å; R779-E782 IonicContact CZ-OE2 2.67Å; R779-E782 IonicContact NE-OE2 3.25Å; R779-E782 IonicContact NH1-OE1 2.72Å; R779-E782 PolarHBondContact NH1-OE1 3.12Å; R779-E782 IonicContact NH1-OE2 2.81Å; R779-E782 PolarHBondContact NH1-OE2 2.94Å; L780-E782 PolarHBondContact O-N 3.44Å; E782-H786 WeakPolarHBondContact O-CB 3.17Å; E782-H786 PolarHBondContact O-N 2.78Å; E782-H786 VanDerWaalsContact O-N 3.08Å; E782-H786 PolarHBondContact O-ND1 2.78Å
783Q76.4Confident79.1Confident29 Ų2970.6 Ų70.614%0.13636%0.357CS..Hα-helixtrans-98.6-4.5-176.5-163.9-112.9-80.300113.4L780 E781 H786L780-Q783 CarbonylContact O-C 3.54Å; L780-Q783 WeakPolarHBondContact O-CA 3.46Å; L780-Q783 PolarHBondContact O-N 3.07Å; E781-Q783 PolarHBondContact O-N 2.93Å; E781-Q783 VanDerWaalsContact O-N 3.13Å; Q783-H786 CarbonylContact C-O 3.56Å; Q783-H786 VanDerWaalsContact O-O 3.08Å
784E74.6Confident78.9Confident128 Ų12869.1 Ų69.160%0.59834%0.342SS*.Hα-helixtrans-85.9-31.7161.3-61.1-157.9128.200111L780 E781 K1041L780-E784 PolarHBondContact O-N 2.85Å; E781-E784 PolarHBondContact O-N 3.03Å; E781-E784 VanDerWaalsContact O-N 3.09Å; E784-K1041 IonicContact OE1-NZ 2.68Å; E784-K1041 PolarHBondContact OE1-NZ 3.02Å
785L71.6Confident78.8Confident144 Ų14473.5 Ų73.575%0.75436%0.362SS*.Hα-helixtrans-75.9-40.3174.4-165.471.2000112.7E781E781-L785 PolarHBondContact O-N 3.49Å
786H66.1Low78.7Confident123 Ų12373.7 Ų73.757%0.56936%0.362SS*.SBendtrans-106.3121.9177-54.285.7000110.3E782 Q783E782-H786 WeakPolarHBondContact O-CB 3.17Å; E782-H786 PolarHBondContact O-N 2.78Å; E782-H786 VanDerWaalsContact O-N 3.08Å; E782-H786 PolarHBondContact O-ND1 2.78Å; Q783-H786 CarbonylContact C-O 3.56Å; Q783-H786 VanDerWaalsContact O-O 3.08Å
787Q61.3Low78.7Confident164 Ų16472.9 Ų72.977%0.76636%0.356SS*.  trans-54.3138.8175.2-68.4-172.22.700110.8T789Q787-T789 PolarHBondContact O-N 3.07Å
788P59.7Low78.7Confident37 Ų3769.2 Ų69.224%0.2434%0.342CS..  trans-65.5104.7-170.925.2-34.3000111.7S790 R811P788-S790 PolarHBondContact O-N 2.91Å; P788-R811 HydrophobicContact CB-CB 4.26Å; P788-R811 HydrophobicContact CB-CG 4.42Å
789T55.5Low78.8Confident123 Ų12366.4 Ų66.476%0.75533%0.334SS*.SBendtrans-65.2-23.8-179.649.60000113.5Q787Q787-T789 PolarHBondContact O-N 3.07Å
790S64.3Low79.1Confident28 Ų2866.6 Ų66.620%0.19634%0.335CS..  trans-107.5131.7171.8-170.50000111.7P788 S792 M809P788-S790 PolarHBondContact O-N 2.91Å; S790-S792 PolarHBondContact O-N 2.85Å; S790-S792 PolarHBondContact OG-N 3.43Å; S790-M809 WeakPolarHBondContact CB-O 3.35Å
791R69.6Low79.4Confident171 Ų17164.4 Ų64.465%0.64533%0.326SS*.SBendtrans-64.5-24.6170.5-67-178.7176-173.4-3.2112.5R811 W815R791-R811 VanDerWaalsContact O-CZ 3.32Å; R791-R811 PolarHBondContact O-NE 2.76Å; R791-R811 PolarHBondContact O-NH2 2.91Å; R791-W815 HydrophobicContact CB-CH2 4.45Å
792S81Confident79.7Confident56 Ų5661.8 Ų61.839%0.39231%0.314SS..SBendtrans-85.2130.1-170.9-62.20000113.1S790 R811S790-S792 PolarHBondContact O-N 2.85Å; S790-S792 PolarHBondContact OG-N 3.43Å; S792-R811 PolarHBondContact O-N 3.15Å; S792-R811 VanDerWaalsContact O-N 3.12Å
793L86.8Confident80.2Confident20 Ų2058.2 Ų58.211%0.10530%0.298CS..BIsolated β-bridgetrans-61.5140.2174-171.569000111.5H795 A798 R811 M814L793-H795 PolarHBondContact O-N 3.1Å; L793-A798 HydrophobicContact CD2-CB 3.87Å; L793-A798 HydrophobicContact CG-CB 4.34Å; L793-R811 CarbonylContact C-O 3.53Å; L793-R811 WeakPolarHBondContact CA-O 3.29Å; L793-M814 HydrophobicContact CD1-CB 4.48Å; L793-M814 HydrophobicContact CD2-CE 3.6Å
794C90Very high81Confident0 Ų057 Ų570%029%0.292CS..PPolyproline II helixtrans-66.4128.4-178.4178.60000110.9Q796 M797 A798 C808 R811 H812C794-Q796 VanDerWaalsContact C-N 3.27Å; C794-Q796 PolarHBondContact O-N 3.34Å; C794-M797 HydrophobicContact CB-CB 3.86Å; C794-M797 WeakPolarHBondContact O-CB 3.39Å; C794-M797 PolarHBondContact O-N 2.91Å; C794-A798 PolarHBondContact O-N 3.23Å; C794-C808 VanDerWaalsContact SG-SG 3.69Å; C794-R811 VanDerWaalsContact CB-O 3.3Å; C794-R811 WeakPolarHBondContact CB-O 3.34Å; C794-R811 PolarHBondContact N-O 2.92Å; C794-H812 WeakPolarHBondContact CB-CD2 3.45Å
795H89.5Confident81.6Confident112 Ų11253.7 Ų53.752%0.51927%0.274SS..THydrogen-bonded Turntrans-64.8-28.1-175.1-70.945.9000113.6L793 A799L793-H795 PolarHBondContact O-N 3.1Å; H795-A799 VanDerWaalsContact O-CB 3.24Å; H795-A799 WeakPolarHBondContact O-CB 3.13Å; H795-A799 PolarHBondContact O-N 2.87Å
796Q92.6Very high82.3Confident6 Ų649.4 Ų49.43%0.02825%0.25CS..THydrogen-bonded Turntrans-72.5-43.5170.4-74.1-160.56.700111.3C794 A798 A799 F800 D802 R805 L960 D961C794-Q796 VanDerWaalsContact C-N 3.27Å; C794-Q796 PolarHBondContact O-N 3.34Å; Q796-A798 PolarHBondContact O-N 2.91Å; Q796-A799 PolarHBondContact O-N 2.86Å; Q796-F800 HydrophobicContact CB-CD2 4.25Å; Q796-F800 WeakPolarHBondContact O-CD2 3.18Å; Q796-F800 PolarHBondContact O-N 3.06Å; Q796-D802 CarbonylContact C-O 3.59Å; Q796-D802 VanDerWaalsContact C-O 3.29Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; Q796-L960 PolarHBondContact NE2-O 2.93Å; Q796-L960 VanDerWaalsContact NE2-O 3.12Å; Q796-D961 PolarHBondContact NE2-O 3.14Å
797M91.7Very high83.1Confident7 Ų749.4 Ų49.43%0.03425%0.248CC..Hα-helixtrans-58.7-48.3178.4-162.974-167.600110.9L780 C794 A799 G801 D802 H812 M1036L780-M797 HydrophobicContact CD2-CE 4.19Å; C794-M797 HydrophobicContact CB-CB 3.86Å; C794-M797 WeakPolarHBondContact O-CB 3.39Å; C794-M797 PolarHBondContact O-N 2.91Å; M797-A799 PolarHBondContact O-N 2.89Å; M797-G801 WeakPolarHBondContact CE-O 3.43Å; M797-G801 WeakPolarHBondContact O-CA 3.49Å; M797-G801 PolarHBondContact O-N 3.31Å; M797-D802 PolarHBondContact N-O 2.94Å; M797-H812 HydrophobicContact CG-CB 4.45Å; M797-H812 WeakPolarHBondContact CG-O 3.45Å; M797-H812 HydrophobicContact SD-CB 4.26Å; M797-M1036 HydrophobicContact CE-CB 3.94Å; M797-M1036 HydrophobicContact CE-CG 3.8Å; M797-M1036 HydrophobicContact CE-SD 4.2Å; M797-M1036 HydrophobicContact CG-CG 4.45Å; M797-M1036 HydrophobicContact CG-SD 3.76Å
798A90.9Very high84.2Confident19 Ų1943 Ų4316%0.15722%0.221CC..Hα-helixtrans-67-10.8175.300000114.7L793 C794 Q796L793-A798 HydrophobicContact CD2-CB 3.87Å; L793-A798 HydrophobicContact CG-CB 4.34Å; C794-A798 PolarHBondContact O-N 3.23Å; Q796-A798 PolarHBondContact O-N 2.91Å
799A92Very high85.3Confident10 Ų1047.6 Ų47.68%0.08324%0.241CC..Hα-helixtrans-103.3-35.9178.600000113.5H795 Q796 M797 R951H795-A799 VanDerWaalsContact O-CB 3.24Å; H795-A799 WeakPolarHBondContact O-CB 3.13Å; H795-A799 PolarHBondContact O-N 2.87Å; Q796-A799 PolarHBondContact O-N 2.86Å; M797-A799 PolarHBondContact O-N 2.89Å; A799-R951 VanDerWaalsContact CB-NH1 3.31Å
800F93.2Very high86.8Confident22 Ų2246.4 Ų46.410%0.09622%0.224CC..Hα-helixtrans-132.9-6.3-163.8-51.8-65.8000113.8Q796 D802 Q956 R962 K1032Q796-F800 HydrophobicContact CB-CD2 4.25Å; Q796-F800 WeakPolarHBondContact O-CD2 3.18Å; Q796-F800 PolarHBondContact O-N 3.06Å; F800-D802 WeakPolarHBondContact CB-OD1 3.11Å; F800-D802 PolarHBondContact O-N 2.97Å; F800-Q956 HydrophobicContact CE1-CB 3.94Å; F800-Q956 HydrophobicContact CZ-CB 4.1Å; F800-R962 HydrophobicContact CE2-CB 4.11Å; F800-R962 HydrophobicContact CE2-CG 4.37Å; F800-K1032 WeakPolarHBondContact O-CB 3.3Å; F800-K1032 WeakPolarHBondContact O-CD 3.5Å
801G92.6Very high88Confident10 Ų1045.2 Ų45.210%0.10322%0.215CC..SBendtrans71.48.9-174.800000114.8M797M797-G801 WeakPolarHBondContact CE-O 3.43Å; M797-G801 WeakPolarHBondContact O-CA 3.49Å; M797-G801 PolarHBondContact O-N 3.31Å
802D93.3Very high88.9Confident11 Ų1137.4 Ų37.46%0.05919%0.186CC..SBendtrans-149.7166.8176.962.28.2000111.6Q796 M797 F800 R962 K1032Q796-D802 CarbonylContact C-O 3.59Å; Q796-D802 VanDerWaalsContact C-O 3.29Å; M797-D802 PolarHBondContact N-O 2.94Å; F800-D802 WeakPolarHBondContact CB-OD1 3.11Å; F800-D802 PolarHBondContact O-N 2.97Å; D802-R962 PolarHBondContact O-NH1 3.11Å; D802-R962 IonicContact OD1-CZ 3.97Å; D802-R962 IonicContact OD1-NH1 2.81Å; D802-R962 PolarHBondContact OD1-NH1 3.14Å; D802-R962 IonicContact OD1-NH2 2.75Å; D802-R962 PolarHBondContact OD1-NH2 2.9Å; D802-R962 IonicContact OD2-NH2 3.63Å; D802-R962 PolarHBondContact OD2-NH2 3.4Å; D802-K1032 HydrophobicContact CB-CD 4.38Å; D802-K1032 WeakPolarHBondContact OD2-CD 3.15Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.45Å; D802-K1032 IonicContact OD2-NZ 3.61Å; D802-K1032 PolarHBondContact OD2-NZ 3.49Å
803C92.3Very high89.3Confident3 Ų335.5 Ų35.52%0.0217%0.172CC..  trans-129.3126.8176.4-172.10000111H812C803-H812 PolarHBondContact SG-NE2 3.39Å
804L92.1Very high89.3Confident2 Ų234.7 Ų34.71%0.0117%0.168CC..  trans-11712.1-178.6-59.7178.7000112.8W754 L772 L775W754-L804 PolarHBondContact NE1-O 2.86Å; L772-L804 HydrophobicContact CB-CD2 4.18Å; L772-L804 HydrophobicContact CD2-CD1 4.23Å; L772-L804 HydrophobicContact CD2-CD2 4.33Å; L775-L804 HydrophobicContact CB-CD2 4.23Å
805R88.5Confident89.3Confident60 Ų6036.4 Ų36.423%0.22617%0.174CC..  trans-66.6144.7180-70.5179.4167.1174.3-6.1112.2R779 Q796 C808 Y810R779-R805 PolarHBondContact NE-O 3.43Å; R779-R805 PolarHBondContact NH2-O 3.06Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; R805-C808 HydrophobicContact CB-CB 4.18Å; R805-Y810 VanDerWaalsContact NH1-CD2 3.29Å; R805-Y810 VanDerWaalsContact NH1-CE2 3.35Å
806H84.7Confident89.3Confident54 Ų5437.7 Ų37.725%0.2517%0.174CC..SBendtrans-64-42.3179.8-177-110.7000113.6E751 W754 R779E751-H806 VanDerWaalsContact CD-NE2 3.35Å; E751-H806 IonicContact OE1-CE1 2.63Å; E751-H806 IonicContact OE1-NE2 2.7Å; E751-H806 PolarHBondContact OE1-NE2 3.2Å; E751-H806 IonicContact OE2-CD2 3.11Å; E751-H806 IonicContact OE2-CE1 2.66Å; E751-H806 IonicContact OE2-NE2 2.68Å; E751-H806 PolarHBondContact OE2-NE2 3.42Å; W754-H806 HydrophobicContact CD2-CB 4.11Å; W754-H806 AromaticContact CD2-CD2 3.7Å; W754-H806 AromaticContact CE3-CD2 3.81Å; W754-H806 AromaticContact CG-CD2 3.97Å; W754-H806 HydrophobicContact CH2-CB 4.23Å; W754-H806 HydrophobicContact CZ2-CB 3.77Å; R779-H806 PolarHBondContact NH2-O 3.15Å
807K83.3Confident88.9Confident122 Ų12241.6 Ų41.653%0.5320%0.195SC..SBendtrans-131.7145.8164.4-61.6177.3-176.81720107.3E69E69-K807 VanDerWaalsContact CD-NZ 3.35Å; E69-K807 IonicContact OE1-NZ 2.67Å; E69-K807 PolarHBondContact OE1-NZ 3.37Å; E69-K807 VanDerWaalsContact OE1-NZ 3.09Å; E69-K807 IonicContact OE2-NZ 3.76Å; E69-K807 PolarHBondContact OE2-NZ 3.48Å
808C84.9Confident88.6Confident29 Ų2942.2 Ų42.220%0.19620%0.198CC..  trans-147.3125.4177.9-164.60000112.2C794 R805 H812C794-C808 VanDerWaalsContact SG-SG 3.69Å; R805-C808 HydrophobicContact CB-CB 4.18Å; C808-H812 PolarHBondContact SG-NE2 3.07Å
809M83.4Confident88.5Confident135 Ų13542.7 Ų42.767%0.66520%0.199SC*.  trans-100.97.3-178.7-49.8-54.1-66.900113.5S790S790-M809 WeakPolarHBondContact CB-O 3.35Å
810Y86.2Confident88.4Confident97 Ų9748.5 Ų48.538%0.3823%0.228SC..SBendtrans-99.8151.5-175.8-63-84.1000111.3R805 H812R805-Y810 VanDerWaalsContact NH1-CD2 3.29Å; R805-Y810 VanDerWaalsContact NH1-CE2 3.35Å; Y810-H812 PolarHBondContact O-CE1 3.47Å; Y810-H812 PolarHBondContact O-N 2.91Å
811R88.6Confident88.2Confident4 Ų448.1 Ų48.12%0.01523%0.227CC..BIsolated β-bridgetrans-62.9129.9174.8171.91696092.8-6.1110.8P788 R791 S792 L793 C794 V813 W815 E818P788-R811 HydrophobicContact CB-CB 4.26Å; P788-R811 HydrophobicContact CB-CG 4.42Å; R791-R811 VanDerWaalsContact O-CZ 3.32Å; R791-R811 PolarHBondContact O-NE 2.76Å; R791-R811 PolarHBondContact O-NH2 2.91Å; S792-R811 PolarHBondContact O-N 3.15Å; S792-R811 VanDerWaalsContact O-N 3.12Å; L793-R811 CarbonylContact C-O 3.53Å; L793-R811 WeakPolarHBondContact CA-O 3.29Å; C794-R811 VanDerWaalsContact CB-O 3.3Å; C794-R811 WeakPolarHBondContact CB-O 3.34Å; C794-R811 PolarHBondContact N-O 2.92Å; R811-V813 VanDerWaalsContact CD-O 3.28Å; R811-V813 WeakPolarHBondContact CD-O 3.26Å; R811-V813 WeakPolarHBondContact CG-O 3.49Å; R811-V813 PolarHBondContact NH1-O 3.32Å; R811-W815 VanDerWaalsContact NH2-CZ3 3.34Å; R811-E818 IonicContact CZ-OE1 3.27Å; R811-E818 IonicContact CZ-OE2 3.69Å; R811-E818 IonicContact NH1-OE1 3.45Å; R811-E818 IonicContact NH1-OE2 2.71Å; R811-E818 PolarHBondContact NH1-OE2 2.66Å; R811-E818 IonicContact NH2-OE1 2.7Å; R811-E818 PolarHBondContact NH2-OE1 3.19Å; R811-E818 IonicContact NH2-OE2 3.02Å; R811-E818 PolarHBondContact NH2-OE2 2.84Å
812H90.4Very high88.1Confident6 Ų649.3 Ų49.33%0.02823%0.234CC..  trans-101.1-4.2174-54.7117.1000113.1R779 L780 C794 M797 C803 C808 Y810R779-H812 PolarHBondContact O-ND1 3.26Å; L780-H812 HydrophobicContact CD2-CB 3.83Å; C794-H812 WeakPolarHBondContact CB-CD2 3.45Å; M797-H812 HydrophobicContact CG-CB 4.45Å; M797-H812 WeakPolarHBondContact CG-O 3.45Å; M797-H812 HydrophobicContact SD-CB 4.26Å; C803-H812 PolarHBondContact SG-NE2 3.39Å; C808-H812 PolarHBondContact SG-NE2 3.07Å; Y810-H812 PolarHBondContact O-CE1 3.47Å; Y810-H812 PolarHBondContact O-N 2.91Å
813V87.4Confident88Confident17 Ų1755.6 Ų55.610%0.10327%0.267CS..SBendtrans-99.5121175175.80000110.8R811 K1041R811-V813 VanDerWaalsContact CD-O 3.28Å; R811-V813 WeakPolarHBondContact CD-O 3.26Å; R811-V813 WeakPolarHBondContact CG-O 3.49Å; R811-V813 PolarHBondContact NH1-O 3.32Å; V813-K1041 HydrophobicContact CG1-CB 3.98Å; V813-K1041 HydrophobicContact CG1-CD 3.94Å; V813-K1041 HydrophobicContact CG1-CG 3.74Å
814M88.6Confident87.9Confident3 Ų357.7 Ų57.72%0.01528%0.277CS..PPolyproline II helixtrans-74.2141.9172.1-179.3167.8-81.800111.1L793 E818 V819 I996 H997 M1036 V1037 S1040 K1041L793-M814 HydrophobicContact CD1-CB 4.48Å; L793-M814 HydrophobicContact CD2-CE 3.6Å; M814-E818 HydrophobicContact CG-CB 3.87Å; M814-V819 HydrophobicContact CG-CG2 4.17Å; M814-V819 HydrophobicContact SD-CG2 3.94Å; M814-I996 HydrophobicContact CE-CG2 4Å; M814-I996 HydrophobicContact SD-CG2 4Å; M814-H997 HydrophobicContact CE-CB 4.17Å; M814-M1036 HydrophobicContact CB-CG 4.19Å; M814-M1036 HydrophobicContact CE-CE 3.52Å; M814-M1036 HydrophobicContact CE-SD 4.1Å; M814-M1036 HydrophobicContact SD-CE 4.02Å; M814-V1037 HydrophobicContact SD-CG2 4.31Å; M814-S1040 VanDerWaalsContact O-CA 3.24Å; M814-S1040 WeakPolarHBondContact O-CA 3.37Å; M814-S1040 WeakPolarHBondContact O-CB 3.47Å; M814-K1041 PolarHBondContact O-N 2.84Å; M814-K1041 VanDerWaalsContact O-N 3.15Å
815W88.9Confident88Confident36 Ų3657.9 Ų57.914%0.13628%0.277CS..BIsolated β-bridgetrans-85156172.7-62.1-43.1000111.6R791 R811 D817 E818 V819 K1041 C1043 Y1045R791-W815 HydrophobicContact CB-CH2 4.45Å; R811-W815 VanDerWaalsContact NH2-CZ3 3.34Å; W815-D817 VanDerWaalsContact C-N 3.34Å; W815-D817 WeakPolarHBondContact CB-OD1 3.37Å; W815-D817 PolarHBondContact O-N 2.81Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 4.21Å; W815-E818 PolarHBondContact N-OE2 3.27Å; W815-E818 WeakPolarHBondContact O-CB 3.14Å; W815-E818 PolarHBondContact O-N 3.46Å; W815-E818 VanDerWaalsContact O-N 3.11Å; W815-V819 PolarHBondContact O-N 3.11Å; W815-K1041 CarbonylContact C-O 3.53Å; W815-K1041 VanDerWaalsContact CA-O 3.23Å; W815-K1041 WeakPolarHBondContact CA-O 3.47Å; W815-C1043 HydrophobicContact CB-CB 4.41Å; W815-C1043 HydrophobicContact CD2-CB 3.94Å; W815-C1043 HydrophobicContact CE3-CB 4.37Å; W815-C1043 HydrophobicContact CG-CB 3.96Å; W815-Y1045 HydrophobicContact CZ2-CD2 4.45Å
816R88.6Confident88.3Confident139 Ų13956.1 Ų56.153%0.52527%0.273SS..Hα-helixtrans-64.4-34.4-176.7-69-169.9-170.5140.76.4114.1E818 V819 K1041 D1042R816-E818 VanDerWaalsContact C-N 3.3Å; R816-V819 PolarHBondContact O-N 2.96Å; R816-K1041 PolarHBondContact N-O 3.04Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.28Å; R816-D1042 IonicContact CZ-OD1 3.66Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.29Å; R816-D1042 IonicContact CZ-OD2 3.95Å; R816-D1042 IonicContact NE-OD1 3.68Å; R816-D1042 IonicContact NH1-OD1 2.76Å; R816-D1042 PolarHBondContact NH1-OD1 3.02Å; R816-D1042 IonicContact NH1-OD2 3.52Å; R816-D1042 PolarHBondContact NH1-OD2 2.72Å; R816-D1042 IonicContact NH2-OD2 3.18Å; R816-D1042 PolarHBondContact NH2-OD2 3.12Å
817D84.6Confident88.6Confident88 Ų8858.4 Ų58.447%0.47128%0.283SS..Hα-helixtrans-68.1-30.5173.264.5-44.2000112.1W815 V819 M1046W815-D817 VanDerWaalsContact C-N 3.34Å; W815-D817 WeakPolarHBondContact CB-OD1 3.37Å; W815-D817 PolarHBondContact O-N 2.81Å; D817-V819 VanDerWaalsContact C-N 3.34Å; D817-M1046 HydrophobicContact CB-CE 4.19Å
818E86.5Confident88.9Confident20 Ų2058.6 Ų58.69%0.09329%0.289CS..Hα-helixtrans-73.7-20.4176.1-66.8180141.200114.2R811 M814 W815 R816 H997R811-E818 IonicContact CZ-OE1 3.27Å; R811-E818 IonicContact CZ-OE2 3.69Å; R811-E818 IonicContact NH1-OE1 3.45Å; R811-E818 IonicContact NH1-OE2 2.71Å; R811-E818 PolarHBondContact NH1-OE2 2.66Å; R811-E818 IonicContact NH2-OE1 2.7Å; R811-E818 PolarHBondContact NH2-OE1 3.19Å; R811-E818 IonicContact NH2-OE2 3.02Å; R811-E818 PolarHBondContact NH2-OE2 2.84Å; M814-E818 HydrophobicContact CG-CB 3.87Å; W815-E818 HydrophobicContact CB-CG 4.11Å; W815-E818 HydrophobicContact CE3-CG 4.21Å; W815-E818 PolarHBondContact N-OE2 3.27Å; W815-E818 WeakPolarHBondContact O-CB 3.14Å; W815-E818 PolarHBondContact O-N 3.46Å; W815-E818 VanDerWaalsContact O-N 3.11Å; R816-E818 VanDerWaalsContact C-N 3.3Å; E818-H997 WeakPolarHBondContact CB-ND1 3.27Å; E818-H997 WeakPolarHBondContact O-CA 3.37Å; E818-H997 WeakPolarHBondContact O-CB 3.48Å; E818-H997 PolarHBondContact O-N 2.86Å; E818-H997 PolarHBondContact O-ND1 3.42Å
819V88.7Confident89.4Confident28 Ų2858.7 Ų58.717%0.1730%0.295CS..Hα-helixtrans-60.7-48-176.1167.50000111.8M814 W815 R816 D817 H997 V1037M814-V819 HydrophobicContact CG-CG2 4.17Å; M814-V819 HydrophobicContact SD-CG2 3.94Å; W815-V819 PolarHBondContact O-N 3.11Å; R816-V819 PolarHBondContact O-N 2.96Å; D817-V819 VanDerWaalsContact C-N 3.34Å; V819-H997 PolarHBondContact O-N 3.41Å; V819-V1037 HydrophobicContact CG1-CG1 3.63Å; V819-V1037 HydrophobicContact CG1-CG2 4.37Å; V819-V1037 HydrophobicContact CG2-CG1 4.32Å
820L89.1Confident90Very high133 Ų13357.8 Ų57.870%0.69629%0.292SS*.SBendtrans-76.9131.2-171.3-65.8177.1000111.1
821P90.4Very high90.4Very high13 Ų1353.7 Ų53.78%0.08428%0.277CS..PPolyproline II helixtrans-73.7149.2172.632.2-36000111K827 A995 H997P821-K827 HydrophobicContact CG-CD 4.37Å; P821-K827 HydrophobicContact CG-CG 4.16Å; P821-A995 HydrophobicContact CB-CB 3.88Å; P821-A995 HydrophobicContact CG-CB 3.9Å; P821-A995 WeakPolarHBondContact CG-O 3.36Å; P821-H997 VanDerWaalsContact CA-O 3.28Å; P821-H997 WeakPolarHBondContact CA-O 3.49Å; P821-H997 WeakPolarHBondContact CB-O 3.36Å
822P90.3Very high90.8Very high36 Ų3659.2 Ų59.223%0.23430%0.298CS..PPolyproline II helixtrans-55146.2178.1-23.633000112.4H824 Y825P822-H824 PolarHBondContact O-N 2.69Å; P822-Y825 HydrophobicContact CB-CD2 3.85Å; P822-Y825 HydrophobicContact CB-CE2 4.16Å; P822-Y825 HydrophobicContact CG-CD2 3.93Å; P822-Y825 HydrophobicContact CG-CE2 3.87Å; P822-Y825 VanDerWaalsContact O-CB 3.27Å; P822-Y825 WeakPolarHBondContact O-CB 3.27Å; P822-Y825 PolarHBondContact O-N 2.89Å
823D89.8Confident91Very high143 Ų14359 Ų5977%0.76530%0.297SS*.THydrogen-bonded Turntrans-65-20.5-166.2-68.4-55.2000116.7Y825 K827D823-Y825 VanDerWaalsContact C-N 3.33Å; D823-K827 IonicContact OD1-NZ 3.8Å; D823-K827 PolarHBondContact OD1-NZ 2.77Å; D823-K827 VanDerWaalsContact OD1-NZ 3.14Å
824H91.5Very high91.2Very high47 Ų4759 Ų5922%0.21830%0.296CS..THydrogen-bonded Turntrans-79.9-12.4172.956.1-78.1000113.3P822 Q851 R945P822-H824 PolarHBondContact O-N 2.69Å; H824-Q851 PolarHBondContact O-NE2 3.28Å; H824-Q851 PolarHBondContact O-OE1 3.46Å; H824-R945 PolarHBondContact NE2-O 3.03Å
825Y93.9Very high91.4Very high6 Ų660.1 Ų60.12%0.02430%0.303CS..SBendtrans-73.1133.6176.4-82.9-132.4000110.8P822 D823 K827 R945 M948 R998 I1000P822-Y825 HydrophobicContact CB-CD2 3.85Å; P822-Y825 HydrophobicContact CB-CE2 4.16Å; P822-Y825 HydrophobicContact CG-CD2 3.93Å; P822-Y825 HydrophobicContact CG-CE2 3.87Å; P822-Y825 VanDerWaalsContact O-CB 3.27Å; P822-Y825 WeakPolarHBondContact O-CB 3.27Å; P822-Y825 PolarHBondContact O-N 2.89Å; D823-Y825 VanDerWaalsContact C-N 3.33Å; Y825-K827 PolarHBondContact O-N 2.78Å; Y825-R945 HydrophobicContact CE2-CG 4.4Å; Y825-M948 HydrophobicContact CD1-SD 4.4Å; Y825-M948 HydrophobicContact CD2-CE 3.82Å; Y825-M948 HydrophobicContact CD2-CG 4.41Å; Y825-M948 HydrophobicContact CD2-SD 4.12Å; Y825-M948 HydrophobicContact CE1-CB 4.1Å; Y825-M948 HydrophobicContact CE1-CG 4.13Å; Y825-M948 HydrophobicContact CE1-SD 4.42Å; Y825-M948 HydrophobicContact CE2-CE 3.99Å; Y825-M948 HydrophobicContact CE2-CG 3.84Å; Y825-M948 HydrophobicContact CE2-SD 4.16Å; Y825-M948 HydrophobicContact CG-CE 4.41Å; Y825-M948 HydrophobicContact CG-SD 4.25Å; Y825-R998 VanDerWaalsContact CE1-O 3.29Å; Y825-R998 WeakPolarHBondContact CE1-O 3.44Å; Y825-R998 PolarHBondContact OH-O 2.72Å; Y825-R998 VanDerWaalsContact OH-O 3.14Å; Y825-I1000 HydrophobicContact CD1-CD1 3.85Å; Y825-I1000 HydrophobicContact CD1-CG1 3.58Å; Y825-I1000 HydrophobicContact CE1-CD1 4.23Å; Y825-I1000 HydrophobicContact CE1-CG1 3.97Å
826P93.9Very high91.4Very high22 Ų2259.6 Ų59.614%0.14330%0.303CS..  trans-68120.8175.327-32.7000109.9I831 L848 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.78Å; P826-I831 HydrophobicContact CG-CG2 3.61Å; P826-L848 HydrophobicContact CG-CD1 3.79Å; P826-V992 HydrophobicContact CB-CG2 4.4Å; P826-V992 HydrophobicContact CG-CG2 4.29Å; P826-I1000 HydrophobicContact CG-CD1 3.98Å
827K90.5Very high91.5Very high103 Ų10354.7 Ų54.745%0.44829%0.289SS..SBendtrans-86.5-18-176.7-57.7178.8-173.2177.30112.4P821 D823 Y825P821-K827 HydrophobicContact CG-CD 4.37Å; P821-K827 HydrophobicContact CG-CG 4.16Å; D823-K827 IonicContact OD1-NZ 3.8Å; D823-K827 PolarHBondContact OD1-NZ 2.77Å; D823-K827 VanDerWaalsContact OD1-NZ 3.14Å; Y825-K827 PolarHBondContact O-N 2.78Å
828N91.3Very high91.9Very high125 Ų12551 Ų5167%0.66827%0.269SS*.SBendtrans-162176.8171.358.366.8000110.2
829G94.2Very high92.1Very high31 Ų3152 Ų5232%0.3227%0.273SS..EExtended strand (participates in β ladder)trans97.8-177.7170.500000115.4V991 V992G829-V991 CarbonylContact O-C 3.52Å; G829-V991 WeakPolarHBondContact O-CA 3.11Å; G829-V992 PolarHBondContact O-N 3.28Å
830L95.6Very high92.3Very high116 Ų11651.6 Ų51.661%0.60727%0.271SS*.EExtended strand (participates in β ladder)trans-81130.4175.3-179.170.8000109.9H989 V991L830-H989 HydrophobicContact CD1-CB 4.29Å; L830-V991 HydrophobicContact CD1-CG2 4.03Å
831I96.3Very high92.5Very high11 Ų1145.3 Ų45.36%0.05624%0.238CC..EExtended strand (participates in β ladder)trans-117.714417557.2163.9000110.9P826 F833 L848 L950 H989 A990 V992P826-I831 HydrophobicContact CB-CG2 3.78Å; P826-I831 HydrophobicContact CG-CG2 3.61Å; I831-F833 HydrophobicContact CD1-CD1 3.88Å; I831-F833 HydrophobicContact CD1-CE1 4.14Å; I831-F833 HydrophobicContact CG1-CD1 4.04Å; I831-F833 HydrophobicContact CG1-CE1 4.27Å; I831-L848 HydrophobicContact CB-CD2 4.15Å; I831-L848 HydrophobicContact CD1-CD2 4.07Å; I831-L848 HydrophobicContact CG2-CD2 4.44Å; I831-L950 HydrophobicContact CD1-CD1 4.04Å; I831-H989 WeakPolarHBondContact O-CA 3.42Å; I831-H989 WeakPolarHBondContact O-CB 3.4Å; I831-A990 HydrophobicContact CG1-CB 4.3Å; I831-A990 VanDerWaalsContact CG1-O 3.31Å; I831-A990 WeakPolarHBondContact CG1-O 3.46Å; I831-A990 PolarHBondContact N-O 3Å; I831-A990 PolarHBondContact O-N 3.42Å; I831-A990 VanDerWaalsContact O-N 3.15Å; I831-V992 HydrophobicContact CD1-CG2 3.96Å; I831-V992 HydrophobicContact CG1-CG2 4.03Å; I831-V992 HydrophobicContact CG2-CG2 3.73Å
832R95.5Very high92.6Very high121 Ų12145.1 Ų45.146%0.45724%0.238SC..EExtended strand (participates in β ladder)trans-113134.5167.2-61.4178.1-73.4-141.35.4110S849 D850 F988 H989R832-S849 PolarHBondContact O-N 3.33Å; R832-D850 WeakPolarHBondContact CB-OD2 3.34Å; R832-D850 IonicContact CZ-OD1 2.74Å; R832-D850 IonicContact CZ-OD2 2.73Å; R832-D850 IonicContact NE-OD1 2.75Å; R832-D850 PolarHBondContact NE-OD1 3.35Å; R832-D850 VanDerWaalsContact NE-OD1 3.16Å; R832-D850 IonicContact NE-OD2 3.5Å; R832-D850 PolarHBondContact NE-OD2 3.11Å; R832-D850 IonicContact NH2-OD1 3.41Å; R832-D850 PolarHBondContact NH2-OD1 3.41Å; R832-D850 IonicContact NH2-OD2 3.39Å; R832-D850 PolarHBondContact NH2-OD2 3.02Å; R832-F988 WeakPolarHBondContact CA-O 3.37Å; R832-H989 HydrophobicContact CG-CB 4.36Å
833F94.6Very high92.8Very high0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-149.2161.3-17259.4-90.1000113.6I831 V835 V846 R847 L848 L950 F988 A990 I1005I831-F833 HydrophobicContact CD1-CD1 3.88Å; I831-F833 HydrophobicContact CD1-CE1 4.14Å; I831-F833 HydrophobicContact CG1-CD1 4.04Å; I831-F833 HydrophobicContact CG1-CE1 4.27Å; F833-V835 HydrophobicContact CD2-CG2 4.18Å; F833-V835 HydrophobicContact CE2-CG2 3.91Å; F833-V846 HydrophobicContact CB-CB 4.15Å; F833-V846 HydrophobicContact CB-CG2 4.33Å; F833-V846 HydrophobicContact CD2-CB 3.68Å; F833-V846 HydrophobicContact CD2-CG1 3.53Å; F833-V846 HydrophobicContact CD2-CG2 4.29Å; F833-V846 HydrophobicContact CE2-CB 4.4Å; F833-V846 HydrophobicContact CE2-CG1 3.77Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.37Å; F833-V846 HydrophobicContact CG-CG2 4.34Å; F833-R847 CarbonylContact C-O 3.57Å; F833-R847 WeakPolarHBondContact CA-O 3.48Å; F833-R847 WeakPolarHBondContact CB-O 3.17Å; F833-L848 HydrophobicContact CB-CD2 4.2Å; F833-L950 HydrophobicContact CD1-CD2 4.27Å; F833-L950 HydrophobicContact CD2-CD2 4.24Å; F833-L950 HydrophobicContact CE1-CD2 3.67Å; F833-L950 HydrophobicContact CE2-CD2 3.62Å; F833-L950 HydrophobicContact CZ-CD2 3.29Å; F833-F988 WeakPolarHBondContact CD1-O 3.41Å; F833-F988 HydrophobicContact CD2-CB 4.03Å; F833-F988 HydrophobicContact CE1-CB 4.35Å; F833-F988 HydrophobicContact CE2-CB 3.55Å; F833-F988 HydrophobicContact CE2-CG 4.45Å; F833-F988 HydrophobicContact CZ-CB 3.74Å; F833-F988 PolarHBondContact N-O 2.76Å; F833-F988 PolarHBondContact O-N 2.94Å; F833-A990 HydrophobicContact CE1-CB 3.81Å; F833-A990 HydrophobicContact CZ-CB 4.36Å; F833-I1005 HydrophobicContact CE2-CG2 4.35Å; F833-I1005 HydrophobicContact CZ-CD1 4.15Å; F833-I1005 HydrophobicContact CZ-CG1 4.11Å; F833-I1005 HydrophobicContact CZ-CG2 3.76Å
834L92.4Very high93.1Very high18 Ų1837.5 Ų37.59%0.09420%0.196CC..EExtended strand (participates in β ladder)trans-105.9130.4170-177.360.1000108.4L836 V846 R847 P862 R986L834-L836 PolarHBondContact O-N 2.69Å; L834-V846 CarbonylContact O-C 3.53Å; L834-V846 VanDerWaalsContact O-CA 3.32Å; L834-V846 WeakPolarHBondContact O-CA 3.16Å; L834-R847 PolarHBondContact N-O 2.74Å; L834-R847 PolarHBondContact O-N 2.95Å; L834-P862 HydrophobicContact CD2-CB 3.62Å; L834-P862 HydrophobicContact CD2-CG 3.61Å; L834-R986 WeakPolarHBondContact CD1-O 3.25Å
835V92Very high93.3Very high26 Ų2635.3 Ų35.316%0.15819%0.186CC..EExtended strand (participates in β ladder)trans-77.2119.1174.8178.60000109.1F833 L844 V846 F977 F988F833-V835 HydrophobicContact CD2-CG2 4.18Å; F833-V835 HydrophobicContact CE2-CG2 3.91Å; V835-L844 HydrophobicContact CG1-CD1 4.49Å; V835-L844 HydrophobicContact CG2-CD1 4.07Å; V835-V846 HydrophobicContact CG2-CG1 4.34Å; V835-F977 HydrophobicContact CB-CD1 4.44Å; V835-F977 HydrophobicContact CG2-CD1 3.91Å; V835-F977 HydrophobicContact CG2-CE1 3.77Å; V835-F977 HydrophobicContact CG2-CZ 4.37Å; V835-F988 HydrophobicContact CG2-CD2 3.82Å; V835-F988 HydrophobicContact CG2-CE2 4.21Å; V835-F988 HydrophobicContact CG2-CG 4.3Å
836L90Very high93.3Very high25 Ų2535 Ų3513%0.13119%0.185CC..EExtended strand (participates in β ladder)trans-86.4-52.3176.7-54.9174.3000110.1L834 A845 R847 F861 P862 T921 A947L834-L836 PolarHBondContact O-N 2.69Å; L836-A845 HydrophobicContact CB-CB 4.46Å; L836-A845 WeakPolarHBondContact CB-O 3.39Å; L836-A845 PolarHBondContact N-O 3.46Å; L836-R847 HydrophobicContact CD1-CB 4.1Å; L836-R847 HydrophobicContact CD2-CB 4.14Å; L836-R847 HydrophobicContact CG-CB 4.23Å; L836-F861 HydrophobicContact CD2-CZ 4.35Å; L836-P862 HydrophobicContact CD2-CG 4.48Å; L836-T921 WeakPolarHBondContact CB-O 3.39Å; L836-A947 HydrophobicContact CD1-CB 3.84Å
837V90.6Very high93.4Very high37 Ų3734.1 Ų34.122%0.22418%0.179CC..EExtended strand (participates in β ladder)trans-138.7143.2-178.8-165.60000110.5Y839 L844 A845V837-Y839 HydrophobicContact CB-CD1 4.37Å; V837-Y839 HydrophobicContact CB-CE1 3.69Å; V837-Y839 HydrophobicContact CG1-CD1 3.78Å; V837-Y839 HydrophobicContact CG1-CE1 3.39Å; V837-Y839 HydrophobicContact CG2-CE1 4.47Å; V837-L844 CarbonylContact O-C 3.59Å; V837-L844 VanDerWaalsContact O-CA 3.32Å; V837-L844 WeakPolarHBondContact O-CA 3.14Å; V837-A845 HydrophobicContact CB-CB 4.26Å; V837-A845 PolarHBondContact N-O 2.96Å; V837-A845 VanDerWaalsContact N-O 3.15Å; V837-A845 PolarHBondContact O-N 3.46Å
838C92.2Very high93.6Very high9 Ų929.6 Ų29.66%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-109.799.7174.9171.40000109L844 R973 F977C838-L844 HydrophobicContact CB-CD2 3.92Å; C838-R973 HydrophobicContact CB-CB 4.41Å; C838-F977 HydrophobicContact CB-CD2 4.16Å; C838-F977 HydrophobicContact CB-CE2 4.09Å
839Y91.3Very high93.6Very high43 Ų4324.4 Ų24.417%0.16913%0.133CC..EExtended strand (participates in β ladder)trans-77.3-34.7-179.6-53.8-50.2000112.2V837 S843 A845 S922 T923 E924 R969V837-Y839 HydrophobicContact CB-CD1 4.37Å; V837-Y839 HydrophobicContact CB-CE1 3.69Å; V837-Y839 HydrophobicContact CG1-CD1 3.78Å; V837-Y839 HydrophobicContact CG1-CE1 3.39Å; V837-Y839 HydrophobicContact CG2-CE1 4.47Å; Y839-S843 WeakPolarHBondContact CB-O 3.05Å; Y839-S843 PolarHBondContact N-O 3.2Å; Y839-A845 HydrophobicContact CE2-CB 3.73Å; Y839-A845 WeakPolarHBondContact OH-CB 3.28Å; Y839-S922 PolarHBondContact OH-OG 3.39Å; Y839-T923 WeakPolarHBondContact CE2-OG1 3.37Å; Y839-T923 PolarHBondContact OH-N 2.69Å; Y839-T923 PolarHBondContact OH-OG1 2.79Å; Y839-E924 HydrophobicContact CD1-CG 4.22Å; Y839-E924 HydrophobicContact CE1-CG 3.47Å; Y839-E924 VanDerWaalsContact CE1-CG 3.47Å; Y839-R969 WeakPolarHBondContact O-CD 3.33Å
840S92.3Very high93.4Very high18 Ų1827.5 Ų27.513%0.12614%0.142CC..EExtended strand (participates in β ladder)trans-160.2170.9176.267.40000110.1A842 S843S840-A842 PolarHBondContact O-N 3.39Å; S840-A842 PolarHBondContact OG-N 2.61Å; S840-S843 PolarHBondContact N-O 3.18Å; S840-S843 PolarHBondContact O-N 3.04Å; S840-S843 PolarHBondContact OG-N 2.85Å; S840-S843 VanDerWaalsContact OG-N 3.08Å
841P93.1Very high93.1Very high1 Ų126 Ų261%0.00613%0.132CC..THydrogen-bonded Turntrans-52.6-16.4168-30.639.1000116W964 A968 V972 V1017P841-W964 HydrophobicContact CB-CD2 4.14Å; P841-W964 HydrophobicContact CB-CE3 4.02Å; P841-W964 HydrophobicContact CB-CH2 4.05Å; P841-W964 HydrophobicContact CB-CZ2 4.19Å; P841-W964 HydrophobicContact CB-CZ3 3.97Å; P841-W964 HydrophobicContact CG-CD2 3.88Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.4Å; P841-W964 HydrophobicContact CG-CH2 4.49Å; P841-W964 HydrophobicContact CG-CZ3 3.93Å; P841-A968 HydrophobicContact CG-CB 3.99Å; P841-V972 HydrophobicContact CB-CG2 4.03Å; P841-V972 HydrophobicContact CG-CG2 3.93Å; P841-V1017 HydrophobicContact CB-CG1 3.96Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å
842A94.1Very high92.9Very high10 Ų1026.9 Ų26.98%0.08314%0.135CC..THydrogen-bonded Turntrans-1220.8-176.700000115.3S840 R951 I952 L955 W964S840-A842 PolarHBondContact O-N 3.39Å; S840-A842 PolarHBondContact OG-N 2.61Å; A842-R951 VanDerWaalsContact O-CA 3.25Å; A842-R951 WeakPolarHBondContact O-CA 3.28Å; A842-I952 PolarHBondContact O-N 2.95Å; A842-L955 HydrophobicContact CB-CB 4.07Å; A842-L955 HydrophobicContact CB-CD2 3.98Å; A842-L955 HydrophobicContact CB-CG 3.96Å; A842-L955 VanDerWaalsContact CB-O 3.29Å; A842-L955 WeakPolarHBondContact CB-O 3.4Å; A842-W964 HydrophobicContact CB-CZ2 4.25Å
843S94.6Very high92.7Very high16 Ų1624.2 Ų24.211%0.11213%0.134CC..EExtended strand (participates in β ladder)trans-150.3133.3-180167.40000111.8Y839 S840 D949 L950Y839-S843 WeakPolarHBondContact CB-O 3.05Å; Y839-S843 PolarHBondContact N-O 3.2Å; S840-S843 PolarHBondContact N-O 3.18Å; S840-S843 PolarHBondContact O-N 3.04Å; S840-S843 PolarHBondContact OG-N 2.85Å; S840-S843 VanDerWaalsContact OG-N 3.08Å; S843-D949 PolarHBondContact OG-OD1 2.88Å; S843-D949 VanDerWaalsContact OG-OD1 3.08Å; S843-L950 WeakPolarHBondContact CA-O 3.37Å
844L95.4Very high92.5Very high3 Ų326.3 Ų26.32%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-137.4150.9-172.4-47.1173.9000109.9V835 V837 C838 V846 D949 L950 F977 I1005V835-L844 HydrophobicContact CG1-CD1 4.49Å; V835-L844 HydrophobicContact CG2-CD1 4.07Å; V837-L844 CarbonylContact O-C 3.59Å; V837-L844 VanDerWaalsContact O-CA 3.32Å; V837-L844 WeakPolarHBondContact O-CA 3.14Å; C838-L844 HydrophobicContact CB-CD2 3.92Å; L844-V846 HydrophobicContact CB-CG1 3.88Å; L844-V846 HydrophobicContact CD1-CG1 4.32Å; L844-D949 WeakPolarHBondContact O-CA 3.23Å; L844-L950 PolarHBondContact N-O 2.74Å; L844-L950 PolarHBondContact O-N 3.27Å; L844-F977 HydrophobicContact CD1-CE1 4.15Å; L844-F977 HydrophobicContact CD1-CE2 4.33Å; L844-F977 HydrophobicContact CD1-CZ 3.56Å; L844-F977 HydrophobicContact CD2-CE2 3.56Å; L844-F977 HydrophobicContact CD2-CZ 3.63Å; L844-F977 HydrophobicContact CG-CZ 4.27Å; L844-I1005 HydrophobicContact CD1-CD1 3.52Å
845A95.3Very high92.3Very high0 Ų027.9 Ų27.90%016%0.162CC..EExtended strand (participates in β ladder)trans-91.2130.6154.500000109.6L836 V837 Y839 T923 M948L836-A845 HydrophobicContact CB-CB 4.46Å; L836-A845 WeakPolarHBondContact CB-O 3.39Å; L836-A845 PolarHBondContact N-O 3.46Å; V837-A845 HydrophobicContact CB-CB 4.26Å; V837-A845 PolarHBondContact N-O 2.96Å; V837-A845 VanDerWaalsContact N-O 3.15Å; V837-A845 PolarHBondContact O-N 3.46Å; Y839-A845 HydrophobicContact CE2-CB 3.73Å; Y839-A845 WeakPolarHBondContact OH-CB 3.28Å; A845-T923 HydrophobicContact CB-CG2 4.33Å; A845-M948 WeakPolarHBondContact CA-O 3.49Å
846V95.3Very high92Very high0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-131.2158-177.1-53.70000111.2F833 L834 V835 L844 M948 L950F833-V846 HydrophobicContact CB-CB 4.15Å; F833-V846 HydrophobicContact CB-CG2 4.33Å; F833-V846 HydrophobicContact CD2-CB 3.68Å; F833-V846 HydrophobicContact CD2-CG1 3.53Å; F833-V846 HydrophobicContact CD2-CG2 4.29Å; F833-V846 HydrophobicContact CE2-CB 4.4Å; F833-V846 HydrophobicContact CE2-CG1 3.77Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.37Å; F833-V846 HydrophobicContact CG-CG2 4.34Å; L834-V846 CarbonylContact O-C 3.53Å; L834-V846 VanDerWaalsContact O-CA 3.32Å; L834-V846 WeakPolarHBondContact O-CA 3.16Å; V835-V846 HydrophobicContact CG2-CG1 4.34Å; L844-V846 HydrophobicContact CB-CG1 3.88Å; L844-V846 HydrophobicContact CD1-CG1 4.32Å; V846-M948 HydrophobicContact CG2-CB 4.35Å; V846-M948 PolarHBondContact N-O 3.1Å; V846-M948 PolarHBondContact O-N 2.89Å; V846-L950 HydrophobicContact CG1-CB 3.88Å; V846-L950 HydrophobicContact CG1-CD2 3.87Å; V846-L950 HydrophobicContact CG2-CB 3.78Å; V846-L950 HydrophobicContact CG2-CD2 4.19Å
847R94.6Very high91.7Very high4 Ų432.3 Ų32.32%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-121.3126.8168.8-177.216879.2-169.7-2.2110.6F833 L834 L836 S849 F852 T854 M863 S864 E946F833-R847 CarbonylContact C-O 3.57Å; F833-R847 WeakPolarHBondContact CA-O 3.48Å; F833-R847 WeakPolarHBondContact CB-O 3.17Å; L834-R847 PolarHBondContact N-O 2.74Å; L834-R847 PolarHBondContact O-N 2.95Å; L836-R847 HydrophobicContact CD1-CB 4.1Å; L836-R847 HydrophobicContact CD2-CB 4.14Å; L836-R847 HydrophobicContact CG-CB 4.23Å; R847-S849 PolarHBondContact O-N 3Å; R847-F852 HydrophobicContact CG-CB 3.61Å; R847-F852 HydrophobicContact CG-CD2 4.32Å; R847-F852 HydrophobicContact CG-CG 4.38Å; R847-F852 PolarHBondContact NE-O 3.29Å; R847-T854 PolarHBondContact NH2-OG1 2.64Å; R847-M863 PolarHBondContact NH2-O 3.15Å; R847-S864 VanDerWaalsContact NH1-N 3.19Å; R847-E946 WeakPolarHBondContact CD-OE2 3.44Å; R847-E946 HydrophobicContact CG-CB 4.2Å; R847-E946 IonicContact CZ-OE2 3.65Å; R847-E946 IonicContact NE-OE2 3.5Å; R847-E946 IonicContact NH1-OE2 3.32Å; R847-E946 PolarHBondContact NH1-OE2 3.19Å
848L94.8Very high91.3Very high7 Ų733.5 Ų33.54%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-67.3116.1178.6-58.2-176.8000110.1P826 I831 F833 D850 Q851 F852 M948P826-L848 HydrophobicContact CG-CD1 3.79Å; I831-L848 HydrophobicContact CB-CD2 4.15Å; I831-L848 HydrophobicContact CD1-CD2 4.07Å; I831-L848 HydrophobicContact CG2-CD2 4.44Å; F833-L848 HydrophobicContact CB-CD2 4.2Å; L848-D850 VanDerWaalsContact C-N 3.29Å; L848-D850 PolarHBondContact O-N 3.29Å; L848-Q851 HydrophobicContact CB-CB 4.26Å; L848-Q851 HydrophobicContact CB-CG 4.4Å; L848-Q851 HydrophobicContact CD1-CG 4.48Å; L848-Q851 PolarHBondContact O-N 2.96Å; L848-F852 PolarHBondContact O-N 2.73Å; L848-M948 HydrophobicContact CD1-CE 3.78Å; L848-M948 HydrophobicContact CD1-SD 3.59Å; L848-M948 VanDerWaalsContact CD1-SD 3.59Å; L848-M948 HydrophobicContact CD2-SD 4.42Å; L848-M948 HydrophobicContact CG-CE 4.2Å; L848-M948 HydrophobicContact CG-SD 3.73Å
849S91.3Very high90.7Very high17 Ų1738.4 Ų38.412%0.11921%0.206CC..THydrogen-bonded Turntrans-73.6-22.6-172.6-65.20000113.3R832 R847R832-S849 PolarHBondContact O-N 3.33Å; R847-S849 PolarHBondContact O-N 3Å
850D89.9Confident90.1Very high96 Ų9642.2 Ų42.251%0.51323%0.229SC..THydrogen-bonded Turntrans-81.2-19.6176.7-63.1-54.4000113.5R832 L848R832-D850 WeakPolarHBondContact CB-OD2 3.34Å; R832-D850 IonicContact CZ-OD1 2.74Å; R832-D850 IonicContact CZ-OD2 2.73Å; R832-D850 IonicContact NE-OD1 2.75Å; R832-D850 PolarHBondContact NE-OD1 3.35Å; R832-D850 VanDerWaalsContact NE-OD1 3.16Å; R832-D850 IonicContact NE-OD2 3.5Å; R832-D850 PolarHBondContact NE-OD2 3.11Å; R832-D850 IonicContact NH2-OD1 3.41Å; R832-D850 PolarHBondContact NH2-OD1 3.41Å; R832-D850 IonicContact NH2-OD2 3.39Å; R832-D850 PolarHBondContact NH2-OD2 3.02Å; L848-D850 VanDerWaalsContact C-N 3.29Å; L848-D850 PolarHBondContact O-N 3.29Å
851Q90.4Very high89.5Confident85 Ų8543.4 Ų43.440%0.39723%0.232SC..THydrogen-bonded Turntrans-102.9-41.5176.4-66.9-176.8-3.700112.1H824 L848 P853H824-Q851 PolarHBondContact O-NE2 3.28Å; H824-Q851 PolarHBondContact O-OE1 3.46Å; L848-Q851 HydrophobicContact CB-CB 4.26Å; L848-Q851 HydrophobicContact CB-CG 4.4Å; L848-Q851 HydrophobicContact CD1-CG 4.48Å; L848-Q851 PolarHBondContact O-N 2.96Å; Q851-P853 WeakPolarHBondContact O-CD 3.49Å
852F92.3Very high89.1Confident28 Ų2844 Ų4412%0.12324%0.236CC..SBendtrans-127.876.9-172.7-51.1-69.5000109.6R847 L848 P944 E946 M948R847-F852 HydrophobicContact CG-CB 3.61Å; R847-F852 HydrophobicContact CG-CD2 4.32Å; R847-F852 HydrophobicContact CG-CG 4.38Å; R847-F852 PolarHBondContact NE-O 3.29Å; L848-F852 PolarHBondContact O-N 2.73Å; F852-P944 HydrophobicContact CE1-CG 3.94Å; F852-P944 HydrophobicContact CZ-CB 4.48Å; F852-P944 HydrophobicContact CZ-CG 3.96Å; F852-E946 HydrophobicContact CB-CG 4.24Å; F852-E946 HydrophobicContact CD1-CG 3.83Å; F852-E946 HydrophobicContact CD2-CB 4.45Å; F852-E946 HydrophobicContact CD2-CG 4.42Å; F852-E946 HydrophobicContact CE1-CG 4.29Å; F852-E946 HydrophobicContact CG-CB 4.32Å; F852-E946 HydrophobicContact CG-CG 3.9Å; F852-M948 HydrophobicContact CE2-CE 4.04Å
853P91Very high88.8Confident66 Ų6644.1 Ų44.143%0.42924%0.235SC..  trans-62.6162.3-178.626.8-35000112Q851 A855Q851-P853 WeakPolarHBondContact O-CD 3.49Å; P853-A855 PolarHBondContact O-N 2.66Å
854T89.2Confident88.7Confident44 Ų4443.5 Ų43.527%0.2723%0.23SC..  trans-90.9103.8177-57.30000109.8R847 P862 M863R847-T854 PolarHBondContact NH2-OG1 2.64Å; T854-P862 HydrophobicContact CG2-CB 3.58Å; T854-M863 CarbonylContact C-O 3.57Å; T854-M863 WeakPolarHBondContact CA-O 3.29Å
855A88.1Confident88.6Confident51 Ų5147.7 Ų47.742%0.42125%0.253SS..  trans-75.2-47.4-18000000112P853 M863 D865P853-A855 PolarHBondContact O-N 2.66Å; A855-M863 PolarHBondContact N-O 3.38Å; A855-D865 WeakPolarHBondContact CB-OD1 3.46Å
856I87.4Confident88.4Confident66 Ų6648.1 Ų48.134%0.33826%0.255SS..EExtended strand (participates in β ladder)trans-142.3162.8-174.5-164.2165.2000111.8M863 E868I856-M863 HydrophobicContact CG2-CB 3.99Å; I856-M863 HydrophobicContact CG2-CE 3.76Å; I856-M863 PolarHBondContact O-N 2.91Å; I856-E868 VanDerWaalsContact CD1-OE1 3.31Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.26Å; I856-E868 HydrophobicContact CG2-CB 4.01Å; I856-E868 HydrophobicContact CG2-CG 4.29Å
857R83.4Confident88.3Confident78 Ų7848.8 Ų48.829%0.29426%0.262SS..EExtended strand (participates in β ladder)trans-117.6107.6169.6-74.4-176.6172.9-81-9.7111.4N860 F861 R984 N985R857-N860 PolarHBondContact NH1-O 2.9Å; R857-F861 CarbonylContact C-O 3.51Å; R857-F861 VanDerWaalsContact CA-O 3.26Å; R857-F861 WeakPolarHBondContact CA-O 3.48Å; R857-R984 PolarHBondContact NH2-O 2.95Å; R857-N985 PolarHBondContact NE-OD1 3.29Å; R857-N985 VanDerWaalsContact NE-OD1 3.09Å; R857-N985 PolarHBondContact NH2-OD1 3.23Å
858F81.8Confident88.2Confident62 Ų6250 Ų5027%0.27227%0.268SS..EExtended strand (participates in β ladder)trans-100.6123.2177.5-179.7-94.5000109.7N860 F861 M863 N898 R899F858-N860 PolarHBondContact O-N 2.89Å; F858-F861 PolarHBondContact N-O 3.17Å; F858-F861 WeakPolarHBondContact O-CB 3.12Å; F858-F861 PolarHBondContact O-N 3.01Å; F858-M863 HydrophobicContact CB-CE 3.59Å; F858-M863 HydrophobicContact CB-CG 4.36Å; F858-M863 HydrophobicContact CB-SD 3.79Å; F858-M863 HydrophobicContact CG-CE 4.24Å; F858-M863 HydrophobicContact CG-SD 4.4Å; F858-N898 WeakPolarHBondContact CE1-O 3.32Å; F858-R899 HydrophobicContact CD1-CG 3.74Å; F858-R899 HydrophobicContact CE1-CG 3.72Å
859L80.3Confident88.2Confident112 Ų11255.4 Ų55.459%0.58629%0.288SS*.THydrogen-bonded Turntrans49.640.1-172.9-56.1177.2000112.8F861 N898L859-F861 PolarHBondContact O-N 3.34Å; L859-N898 HydrophobicContact CD1-CB 3.72Å
860N77.8Confident88.4Confident122 Ų12254.7 Ų54.765%0.65228%0.283SS*.THydrogen-bonded Turntrans68-12.6-170.4-57.2-74.2000116.8R857 F858R857-N860 PolarHBondContact NH1-O 2.9Å; F858-N860 PolarHBondContact O-N 2.89Å
861F79.8Confident88.6Confident43 Ų4350.5 Ų50.519%0.18926%0.26CS..EExtended strand (participates in β ladder)trans-71.9132.5177.8-166-84.4000111.5L836 R857 F858 L859 M863 T921L836-F861 HydrophobicContact CD2-CZ 4.35Å; R857-F861 CarbonylContact C-O 3.51Å; R857-F861 VanDerWaalsContact CA-O 3.26Å; R857-F861 WeakPolarHBondContact CA-O 3.48Å; F858-F861 PolarHBondContact N-O 3.17Å; F858-F861 WeakPolarHBondContact O-CB 3.12Å; F858-F861 PolarHBondContact O-N 3.01Å; L859-F861 PolarHBondContact O-N 3.34Å; F861-M863 HydrophobicContact CD1-CG 4.26Å; F861-M863 PolarHBondContact O-N 3.38Å; F861-T921 HydrophobicContact CE1-CG2 3.68Å; F861-T921 HydrophobicContact CZ-CG2 3.91Å
862P84.6Confident88.7Confident13 Ų1354.4 Ų54.48%0.08427%0.271CS..EExtended strand (participates in β ladder)trans-74.7119.8178.430.5-33.1000111.7L834 L836 T854L834-P862 HydrophobicContact CD2-CB 3.62Å; L834-P862 HydrophobicContact CD2-CG 3.61Å; L836-P862 HydrophobicContact CD2-CG 4.48Å; T854-P862 HydrophobicContact CG2-CB 3.58Å
863M87.9Confident88.9Confident14 Ų1455.2 Ų55.27%0.06928%0.275CS..EExtended strand (participates in β ladder)trans-111.5160.9175-54.2-161.9-46.100110.8R847 T854 A855 I856 F858 F861 E868 Q871R847-M863 PolarHBondContact NH2-O 3.15Å; T854-M863 CarbonylContact C-O 3.57Å; T854-M863 WeakPolarHBondContact CA-O 3.29Å; A855-M863 PolarHBondContact N-O 3.38Å; I856-M863 HydrophobicContact CG2-CB 3.99Å; I856-M863 HydrophobicContact CG2-CE 3.76Å; I856-M863 PolarHBondContact O-N 2.91Å; F858-M863 HydrophobicContact CB-CE 3.59Å; F858-M863 HydrophobicContact CB-CG 4.36Å; F858-M863 HydrophobicContact CB-SD 3.79Å; F858-M863 HydrophobicContact CG-CE 4.24Å; F858-M863 HydrophobicContact CG-SD 4.4Å; F861-M863 HydrophobicContact CD1-CG 4.26Å; F861-M863 PolarHBondContact O-N 3.38Å; M863-E868 HydrophobicContact CE-CB 4.18Å; M863-Q871 HydrophobicContact CE-CB 4.25Å
864S92.1Very high89.1Confident2 Ų252 Ų521%0.01426%0.255CS..  trans-99.2179.9171.359.10000110.1R847 L866 G867 E868 E946R847-S864 VanDerWaalsContact NH1-N 3.19Å; S864-L866 PolarHBondContact O-N 3.12Å; S864-L866 PolarHBondContact OG-N 3.08Å; S864-G867 PolarHBondContact O-N 2.93Å; S864-G867 PolarHBondContact OG-N 2.95Å; S864-E868 WeakPolarHBondContact O-CB 3.49Å; S864-E868 PolarHBondContact O-N 2.85Å; S864-E946 WeakPolarHBondContact CB-OE1 3.32Å; S864-E946 VanDerWaalsContact CB-OE2 3.29Å; S864-E946 WeakPolarHBondContact CB-OE2 3.13Å; S864-E946 PolarHBondContact OG-OE1 3.04Å; S864-E946 PolarHBondContact OG-OE2 2.77Å
865D92.8Very high89.3Confident91 Ų9153.6 Ų53.649%0.48726%0.259SS..Hα-helixtrans-61-24.7168.5-49.3-75.7000112.8A855 R869A855-D865 WeakPolarHBondContact CB-OD1 3.46Å; D865-R869 WeakPolarHBondContact O-CB 3.49Å; D865-R869 WeakPolarHBondContact O-CG 3.47Å; D865-R869 PolarHBondContact O-N 3.49Å; D865-R869 PolarHBondContact O-NE 2.9Å
866L93.1Very high89.6Confident10 Ų1056.4 Ų56.45%0.05227%0.266CS..Hα-helixtrans-78.3-51.4173.5178.261.3000111.1S864 E868 R869 V870 F940 E946S864-L866 PolarHBondContact O-N 3.12Å; S864-L866 PolarHBondContact OG-N 3.08Å; L866-E868 PolarHBondContact O-N 2.98Å; L866-R869 PolarHBondContact O-N 3.04Å; L866-R869 VanDerWaalsContact O-N 3.11Å; L866-V870 HydrophobicContact CD1-CG2 4.19Å; L866-V870 WeakPolarHBondContact O-CG2 3.49Å; L866-V870 PolarHBondContact O-N 2.92Å; L866-F940 HydrophobicContact CD1-CD1 3.93Å; L866-E946 WeakPolarHBondContact CB-OE1 3.42Å
867G92.1Very high89.8Confident14 Ų1460.2 Ų60.214%0.14428%0.283CS..Hα-helixtrans-59.1-36.6177.300000112.6S864 Q871S864-G867 PolarHBondContact O-N 2.93Å; S864-G867 PolarHBondContact OG-N 2.95Å; G867-Q871 WeakPolarHBondContact O-CB 3.37Å; G867-Q871 PolarHBondContact O-N 3.32Å
868E92.9Very high90.3Very high30 Ų3060.4 Ų60.414%0.1430%0.301CS..Hα-helixtrans-67.3-44.5172.5177.9159.9-140.500113I856 M863 S864 L866 V870 Q871 R872I856-E868 VanDerWaalsContact CD1-OE1 3.31Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.26Å; I856-E868 HydrophobicContact CG2-CB 4.01Å; I856-E868 HydrophobicContact CG2-CG 4.29Å; M863-E868 HydrophobicContact CE-CB 4.18Å; S864-E868 WeakPolarHBondContact O-CB 3.49Å; S864-E868 PolarHBondContact O-N 2.85Å; L866-E868 PolarHBondContact O-N 2.98Å; E868-V870 PolarHBondContact O-N 3.15Å; E868-Q871 PolarHBondContact O-N 2.88Å; E868-R872 HydrophobicContact CG-CG 4.19Å; E868-R872 VanDerWaalsContact CG-NE 3.33Å; E868-R872 WeakPolarHBondContact O-CB 3.09Å; E868-R872 VanDerWaalsContact O-CG 3.28Å; E868-R872 WeakPolarHBondContact O-CG 3.23Å; E868-R872 PolarHBondContact O-N 2.96Å; E868-R872 IonicContact OE1-CZ 2.61Å; E868-R872 IonicContact OE1-NE 3.96Å; E868-R872 PolarHBondContact OE1-NE 2.73Å; E868-R872 IonicContact OE1-NH2 3.69Å; E868-R872 PolarHBondContact OE1-NH2 3.31Å; E868-R872 IonicContact OE2-NH2 3.46Å
869R94.4Very high90.9Very high120 Ų12059.3 Ų59.345%0.45330%0.298SS..Hα-helixtrans-63.2-40.5176.1-76178.9-61142.12.1112.1D865 L866 H873 F940D865-R869 WeakPolarHBondContact O-CB 3.49Å; D865-R869 WeakPolarHBondContact O-CG 3.47Å; D865-R869 PolarHBondContact O-N 3.49Å; D865-R869 PolarHBondContact O-NE 2.9Å; L866-R869 PolarHBondContact O-N 3.04Å; L866-R869 VanDerWaalsContact O-N 3.11Å; R869-H873 VanDerWaalsContact O-CB 3.25Å; R869-H873 WeakPolarHBondContact O-CB 3.38Å; R869-H873 PolarHBondContact O-N 3.5Å; R869-F940 HydrophobicContact CB-CE1 3.85Å; R869-F940 HydrophobicContact CB-CZ 4.23Å
870V94.6Very high91.5Very high2 Ų256.8 Ų56.81%0.01228%0.281CS..Hα-helixtrans-62.5-49.9175.2173.30000110.4L866 E868 R872 H873 Y874 R902 F940L866-V870 HydrophobicContact CD1-CG2 4.19Å; L866-V870 WeakPolarHBondContact O-CG2 3.49Å; L866-V870 PolarHBondContact O-N 2.92Å; E868-V870 PolarHBondContact O-N 3.15Å; V870-R872 PolarHBondContact O-N 3.41Å; V870-H873 PolarHBondContact O-N 3.1Å; V870-Y874 HydrophobicContact CG1-CD2 4.07Å; V870-Y874 HydrophobicContact CG1-CE2 4.4Å; V870-Y874 WeakPolarHBondContact O-CD2 3.49Å; V870-Y874 PolarHBondContact O-N 3.13Å; V870-Y874 VanDerWaalsContact O-N 3.09Å; V870-R902 HydrophobicContact CG1-CG 4.34Å; V870-R902 HydrophobicContact CG2-CG 4.03Å; V870-F940 HydrophobicContact CG2-CB 4.36Å; V870-F940 HydrophobicContact CG2-CD1 3.83Å; V870-F940 HydrophobicContact CG2-CD2 3.94Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.15Å; V870-F940 HydrophobicContact CG2-CG 3.78Å; V870-F940 HydrophobicContact CG2-CZ 4.21Å
871Q94.4Very high92.2Very high8 Ų856.7 Ų56.74%0.03728%0.276CS..Hα-helixtrans-56.7-53.9176.6-173.57431.500111.4M863 G867 E868 H873 Y874 E875 N898M863-Q871 HydrophobicContact CE-CB 4.25Å; G867-Q871 WeakPolarHBondContact O-CB 3.37Å; G867-Q871 PolarHBondContact O-N 3.32Å; E868-Q871 PolarHBondContact O-N 2.88Å; Q871-H873 PolarHBondContact O-N 3.28Å; Q871-Y874 PolarHBondContact O-N 2.71Å; Q871-E875 PolarHBondContact NE2-OE2 3.32Å; Q871-E875 WeakPolarHBondContact O-CB 3.4Å; Q871-E875 PolarHBondContact O-N 3.29Å; Q871-N898 PolarHBondContact NE2-O 2.97Å
872R93.5Very high92.8Very high167 Ų16760.1 Ų60.163%0.6329%0.294SS*.Hα-helixtrans-60.1-32.9-178.4-71.3177.2-178-159.77.9112.7E868 V870E868-R872 HydrophobicContact CG-CG 4.19Å; E868-R872 VanDerWaalsContact CG-NE 3.33Å; E868-R872 WeakPolarHBondContact O-CB 3.09Å; E868-R872 VanDerWaalsContact O-CG 3.28Å; E868-R872 WeakPolarHBondContact O-CG 3.23Å; E868-R872 PolarHBondContact O-N 2.96Å; E868-R872 IonicContact OE1-CZ 2.61Å; E868-R872 IonicContact OE1-NE 3.96Å; E868-R872 PolarHBondContact OE1-NE 2.73Å; E868-R872 IonicContact OE1-NH2 3.69Å; E868-R872 PolarHBondContact OE1-NH2 3.31Å; E868-R872 IonicContact OE2-NH2 3.46Å; V870-R872 PolarHBondContact O-N 3.41Å
873H95.3Very high93.1Very high44 Ų4460 Ų6020%0.20429%0.293CS..Hα-helixtrans-73.1-51.5179-175.887.6000112.2R869 V870 Q871 L876 N879 F940R869-H873 VanDerWaalsContact O-CB 3.25Å; R869-H873 WeakPolarHBondContact O-CB 3.38Å; R869-H873 PolarHBondContact O-N 3.5Å; V870-H873 PolarHBondContact O-N 3.1Å; Q871-H873 PolarHBondContact O-N 3.28Å; H873-L876 PolarHBondContact O-N 3.29Å; H873-N879 PolarHBondContact CE1-ND2 2.82Å; H873-N879 WeakPolarHBondContact O-CB 3.47Å; H873-N879 PolarHBondContact O-ND2 2.99Å; H873-F940 HydrophobicContact CB-CE2 3.75Å; H873-F940 HydrophobicContact CB-CZ 3.82Å; H873-F940 AromaticContact CD2-CE2 3.86Å; H873-F940 AromaticContact CG-CE2 3.75Å
874Y95.4Very high92.9Very high0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-83.4-10.3-175-70.9-83.1000114.5V870 Q871 L876 R880 V893 Y900 S935 C936 V937 F940V870-Y874 HydrophobicContact CG1-CD2 4.07Å; V870-Y874 HydrophobicContact CG1-CE2 4.4Å; V870-Y874 WeakPolarHBondContact O-CD2 3.49Å; V870-Y874 PolarHBondContact O-N 3.13Å; V870-Y874 VanDerWaalsContact O-N 3.09Å; Q871-Y874 PolarHBondContact O-N 2.71Å; Y874-L876 PolarHBondContact O-N 2.85Å; Y874-R880 WeakPolarHBondContact O-CG 3.28Å; Y874-R880 PolarHBondContact O-NE 3.16Å; Y874-V893 HydrophobicContact CD1-CG1 4.4Å; Y874-V893 HydrophobicContact CD2-CG1 3.93Å; Y874-V893 HydrophobicContact CD2-CG2 4.4Å; Y874-V893 HydrophobicContact CE1-CB 4.39Å; Y874-V893 HydrophobicContact CE2-CB 4.18Å; Y874-V893 HydrophobicContact CE2-CG1 4.06Å; Y874-V893 HydrophobicContact CE2-CG2 3.72Å; Y874-V893 HydrophobicContact CG-CG1 4.12Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.45Å; Y874-Y900 VanDerWaalsContact CB-CG 3.45Å; Y874-Y900 HydrophobicContact CG-CD1 4.3Å; Y874-Y900 HydrophobicContact CG-CG 4.48Å; Y874-Y900 VanDerWaalsContact O-CZ 3.31Å; Y874-S935 PolarHBondContact OH-O 2.94Å; Y874-C936 WeakPolarHBondContact OH-CA 3.5Å; Y874-V937 PolarHBondContact OH-N 3.35Å; Y874-V937 VanDerWaalsContact OH-N 3.15Å; Y874-F940 HydrophobicContact CD2-CE2 4.46Å; Y874-F940 AromaticContact CE2-CD2 3.89Å; Y874-F940 HydrophobicContact CE2-CD2 3.89Å; Y874-F940 AromaticContact CE2-CE2 3.88Å; Y874-F940 HydrophobicContact CE2-CE2 3.88Å
875E93.8Very high92.7Very high77 Ų7770.4 Ų70.436%0.3636%0.355SS..THydrogen-bonded Turntrans-62.9-27.7166.2-150.870.6-108.700111.6Q871 R880 K895Q871-E875 PolarHBondContact NE2-OE2 3.32Å; Q871-E875 WeakPolarHBondContact O-CB 3.4Å; Q871-E875 PolarHBondContact O-N 3.29Å; E875-R880 PolarHBondContact O-NH2 2.95Å; E875-R880 IonicContact OE1-NH2 3.51Å; E875-K895 IonicContact OE1-NZ 2.7Å; E875-K895 PolarHBondContact OE1-NZ 3.21Å
876L94.9Very high92.5Very high109 Ų10966.7 Ų66.757%0.57134%0.335SS*.SBendtrans-77123.1173-59.9175.1000111H873 Y874 A878 N879H873-L876 PolarHBondContact O-N 3.29Å; Y874-L876 PolarHBondContact O-N 2.85Å; L876-A878 VanDerWaalsContact C-N 3.32Å; L876-A878 PolarHBondContact O-N 3.08Å; L876-N879 PolarHBondContact O-N 3.22Å
877E91.8Very high92.4Very high146 Ų14669.5 Ų69.568%0.68235%0.353SS*.G310 helixtrans-64.3-34.3-173.9-78.1-17917100114N879 R880E877-N879 PolarHBondContact O-N 3.23Å; E877-R880 PolarHBondContact O-N 3.32Å; E877-R880 IonicContact OE1-CZ 2.66Å; E877-R880 IonicContact OE1-NH1 3.12Å; E877-R880 PolarHBondContact OE1-NH1 3.21Å; E877-R880 IonicContact OE1-NH2 2.86Å; E877-R880 PolarHBondContact OE1-NH2 3.16Å
878A93.9Very high92.1Very high83 Ų8372 Ų7269%0.68637%0.366SS*.G310 helixtrans-60-14.6173.900000114.3L876 H881L876-A878 VanDerWaalsContact C-N 3.32Å; L876-A878 PolarHBondContact O-N 3.08Å; A878-H881 PolarHBondContact O-CE1 2.7Å
879N93Very high91.8Very high39 Ų3972.7 Ų72.721%0.20938%0.382CS..G310 helixtrans-98.2-11.6176.8-64.6-28.5000113.4H873 L876 E877 H881H873-N879 PolarHBondContact CE1-ND2 2.82Å; H873-N879 WeakPolarHBondContact O-CB 3.47Å; H873-N879 PolarHBondContact O-ND2 2.99Å; L876-N879 PolarHBondContact O-N 3.22Å; E877-N879 PolarHBondContact O-N 3.23Å; N879-H881 PolarHBondContact O-N 3.04Å; N879-H881 PolarHBondContact O-ND1 2.71Å; N879-H881 VanDerWaalsContact O-ND1 3.16Å
880R93.2Very high91.6Very high58 Ų5870.1 Ų70.122%0.21938%0.375CS..  trans-79.549.4-172.8-60.5-177.3-166.5159.810.7113.3Y874 E875 E877 M882 Y900 Y934Y874-R880 WeakPolarHBondContact O-CG 3.28Å; Y874-R880 PolarHBondContact O-NE 3.16Å; E875-R880 PolarHBondContact O-NH2 2.95Å; E875-R880 IonicContact OE1-NH2 3.51Å; E877-R880 PolarHBondContact O-N 3.32Å; E877-R880 IonicContact OE1-CZ 2.66Å; E877-R880 IonicContact OE1-NH1 3.12Å; E877-R880 PolarHBondContact OE1-NH1 3.21Å; E877-R880 IonicContact OE1-NH2 2.86Å; E877-R880 PolarHBondContact OE1-NH2 3.16Å; R880-M882 PolarHBondContact O-N 2.84Å; R880-Y900 PolarHBondContact NE-OH 2.72Å; R880-Y934 HydrophobicContact CB-CD1 4.01Å; R880-Y934 HydrophobicContact CB-CE1 3.8Å; R880-Y934 WeakPolarHBondContact O-CD1 3.41Å
881H93.1Very high91.6Very high120 Ų12072.6 Ų72.656%0.55639%0.387SS*.PPolyproline II helixtrans-65.1118.2177.4-59.990.6000110.6A878 N879 Y934 S935A878-H881 PolarHBondContact O-CE1 2.7Å; N879-H881 PolarHBondContact O-N 3.04Å; N879-H881 PolarHBondContact O-ND1 2.71Å; N879-H881 VanDerWaalsContact O-ND1 3.16Å; H881-Y934 CarbonylContact O-C 3.55Å; H881-Y934 WeakPolarHBondContact O-CA 3.39Å; H881-Y934 WeakPolarHBondContact O-CB 3.03Å; H881-S935 PolarHBondContact O-N 3.01Å
882M92.3Very high91.6Very high115 Ų11572.2 Ų72.257%0.56739%0.386SS*.BIsolated β-bridgetrans-58.8142.8174.1-83.3174.946.300111.5R880 P884R880-M882 PolarHBondContact O-N 2.84Å; M882-P884 WeakPolarHBondContact O-CD 3.42Å
883H90.6Very high91.7Very high12 Ų1264.3 Ų64.36%0.05636%0.356CS..PPolyproline II helixtrans-70.9118.6178.1-160.6-64.3000110.5N885 P886 E890 L933H883-N885 PolarHBondContact CE1-O 3.01Å; H883-P886 HydrophobicContact CB-CG 4.22Å; H883-P886 WeakPolarHBondContact ND1-CA 3.43Å; H883-E890 IonicContact CE1-OE1 3.49Å; H883-E890 IonicContact CE1-OE2 2.73Å; H883-E890 PolarHBondContact CE1-OE2 3.3Å; H883-E890 VanDerWaalsContact NE2-CD 3.27Å; H883-E890 IonicContact NE2-OE1 3.42Å; H883-E890 PolarHBondContact NE2-OE1 2.88Å; H883-E890 IonicContact NE2-OE2 3.86Å; H883-E890 PolarHBondContact NE2-OE2 3.25Å; H883-L933 HydrophobicContact CB-CB 3.89Å; H883-L933 PolarHBondContact N-O 3.42Å
884P84.3Confident91.7Very high118 Ų11862.2 Ų62.277%0.76635%0.346SS*.SBendtrans-73.8-34.5-16627.2-34.9000113.6M882M882-P884 WeakPolarHBondContact O-CD 3.42Å
885N87.8Confident91.6Very high115 Ų11565.6 Ų65.662%0.61536%0.361SS*.SBendtrans-152.790.7175.6-178.237.1000109.4H883 V887H883-N885 PolarHBondContact CE1-O 3.01Å; N885-V887 PolarHBondContact O-N 3.35Å
886P89.1Confident91.3Very high13 Ų1363.2 Ų63.28%0.08435%0.35CS..  trans-59.9132.1179.3-25.836.5000112.4H883 I905 V908 V914 T930 L933H883-P886 HydrophobicContact CB-CG 4.22Å; H883-P886 WeakPolarHBondContact ND1-CA 3.43Å; P886-I905 HydrophobicContact CB-CD1 3.8Å; P886-V908 HydrophobicContact CB-CG2 4.38Å; P886-V908 WeakPolarHBondContact O-CG2 3.38Å; P886-V914 HydrophobicContact CB-CG1 4.43Å; P886-V914 HydrophobicContact CB-CG2 4.22Å; P886-V914 HydrophobicContact CG-CG2 4.32Å; P886-T930 HydrophobicContact CG-CG2 4.28Å; P886-L933 HydrophobicContact CB-CD2 4.14Å; P886-L933 HydrophobicContact CG-CD2 4.14Å
887V89.4Confident90.7Very high70 Ų7064.5 Ų64.542%0.42436%0.357SS..  trans-124.7138.3178.4-176.80000110.7N885 G889 E890 I905N885-V887 PolarHBondContact O-N 3.35Å; V887-G889 PolarHBondContact O-N 3.46Å; V887-E890 WeakPolarHBondContact O-CB 3.48Å; V887-E890 PolarHBondContact O-N 2.99Å; V887-E890 VanDerWaalsContact O-N 3.11Å; V887-I905 WeakPolarHBondContact O-CB 3.44Å
888P87.1Confident90.4Very high65 Ų6562 Ų6242%0.42235%0.348SS..THydrogen-bonded Turntrans-53.8130.1173.1-26.836.7000112.9V908P888-V908 HydrophobicContact CG-CG2 4.33Å
889G85.3Confident90.2Very high46 Ų4659.7 Ų59.747%0.47432%0.321SS..THydrogen-bonded Turntrans99-22.6-174.400000114.7V887 I905V887-G889 PolarHBondContact O-N 3.46Å; G889-I905 PolarHBondContact N-O 3.06Å
890E90.8Very high90.2Very high65 Ų6558.1 Ų58.130%0.30431%0.313SS..  trans-76.6151.6-179.7-178.7168.3-158.100112.6H883 V887 I905H883-E890 IonicContact CE1-OE1 3.49Å; H883-E890 IonicContact CE1-OE2 2.73Å; H883-E890 PolarHBondContact CE1-OE2 3.3Å; H883-E890 VanDerWaalsContact NE2-CD 3.27Å; H883-E890 IonicContact NE2-OE1 3.42Å; H883-E890 PolarHBondContact NE2-OE1 2.88Å; H883-E890 IonicContact NE2-OE2 3.86Å; H883-E890 PolarHBondContact NE2-OE2 3.25Å; V887-E890 WeakPolarHBondContact O-CB 3.48Å; V887-E890 PolarHBondContact O-N 2.99Å; V887-E890 VanDerWaalsContact O-N 3.11Å; E890-I905 HydrophobicContact CB-CD1 4.15Å; E890-I905 PolarHBondContact O-N 3.21Å
891M94.1Very high90.3Very high55 Ų5555.7 Ų55.727%0.27130%0.303SS..EExtended strand (participates in β ladder)trans-94.6128.3173.2-76.7-174.6-76.100112.1V903 L919 C936 K941M891-V903 CarbonylContact C-O 3.37Å; M891-V903 VanDerWaalsContact CA-O 3.26Å; M891-V903 WeakPolarHBondContact CA-O 3.47Å; M891-L919 HydrophobicContact CG-CD1 4.02Å; M891-L919 HydrophobicContact SD-CD1 3.75Å; M891-C936 HydrophobicContact CB-CB 4.45Å; M891-C936 WeakPolarHBondContact O-CB 3.41Å; M891-K941 HydrophobicContact CB-CG 4.43Å; M891-K941 HydrophobicContact CE-CB 4.07Å; M891-K941 HydrophobicContact CE-CG 4.31Å; M891-K941 WeakPolarHBondContact CE-O 3.42Å
892A95.3Very high90.4Very high0 Ų050 Ų500%028%0.277CS..EExtended strand (participates in β ladder)trans-125.1180176.900000110.4V903 I905 L933 Y934A892-V903 HydrophobicContact CB-CG2 3.93Å; A892-V903 PolarHBondContact N-O 3.11Å; A892-V903 PolarHBondContact O-N 3.11Å; A892-I905 HydrophobicContact CB-CD1 4.26Å; A892-I905 HydrophobicContact CB-CG1 4.47Å; A892-L933 HydrophobicContact CB-CB 4.48Å; A892-L933 HydrophobicContact CB-CD2 3.88Å; A892-L933 HydrophobicContact CB-CG 4.09Å; A892-Y934 WeakPolarHBondContact CB-O 3.22Å
893V96.3Very high90.5Very high0 Ų044.6 Ų44.60%025%0.25CS..EExtended strand (participates in β ladder)trans-126.3140.3171.7174.40000109.5Y874 Y900 E901 R902 Y934 C936Y874-V893 HydrophobicContact CD1-CG1 4.4Å; Y874-V893 HydrophobicContact CD2-CG1 3.93Å; Y874-V893 HydrophobicContact CD2-CG2 4.4Å; Y874-V893 HydrophobicContact CE1-CB 4.39Å; Y874-V893 HydrophobicContact CE2-CB 4.18Å; Y874-V893 HydrophobicContact CE2-CG1 4.06Å; Y874-V893 HydrophobicContact CE2-CG2 3.72Å; Y874-V893 HydrophobicContact CG-CG1 4.12Å; V893-Y900 HydrophobicContact CG1-CD1 4.3Å; V893-E901 WeakPolarHBondContact CA-O 3.38Å; V893-R902 HydrophobicContact CG2-CG 4.37Å; V893-Y934 PolarHBondContact N-O 2.94Å; V893-Y934 PolarHBondContact O-N 3.09Å; V893-C936 HydrophobicContact CG2-CB 4.22Å
894V95Very high90.6Very high0 Ų045.6 Ų45.60%026%0.255CS..EExtended strand (participates in β ladder)trans-125.1154.4175.3-57.10000111.1Y900 E901 V903 V916 Y928 L933V894-Y900 WeakPolarHBondContact O-CA 3.32Å; V894-E901 PolarHBondContact N-O 3.27Å; V894-E901 PolarHBondContact O-N 3.49Å; V894-V903 HydrophobicContact CB-CG1 4.45Å; V894-V903 HydrophobicContact CG1-CG1 4.15Å; V894-V903 HydrophobicContact CG1-CG2 4Å; V894-V903 HydrophobicContact CG2-CG1 3.62Å; V894-V916 HydrophobicContact CG1-CG2 4.43Å; V894-Y928 HydrophobicContact CB-CE1 4.33Å; V894-Y928 HydrophobicContact CB-CE2 4.3Å; V894-Y928 HydrophobicContact CG1-CD2 4.2Å; V894-Y928 HydrophobicContact CG1-CE2 4.34Å; V894-Y928 HydrophobicContact CG1-CG 4.36Å; V894-Y928 HydrophobicContact CG2-CE1 4.37Å; V894-Y928 HydrophobicContact CG2-CE2 3.84Å; V894-L933 HydrophobicContact CG1-CD1 3.79Å; V894-L933 HydrophobicContact CG1-CG 4.01Å
895K93.1Very high91Very high72 Ų7240 Ų4031%0.31322%0.219SC..EExtended strand (participates in β ladder)trans-88.7102.1167.1-164.2173-164.1147.30109.6E875 R899 Y900 Y934E875-K895 IonicContact OE1-NZ 2.7Å; E875-K895 PolarHBondContact OE1-NZ 3.21Å; K895-R899 CarbonylContact C-O 3.58Å; K895-R899 WeakPolarHBondContact CA-O 3.33Å; K895-Y900 HydrophobicContact CB-CD1 4.16Å; K895-Y900 HydrophobicContact CB-CE1 3.84Å; K895-Y900 HydrophobicContact CD-CE1 4.04Å; K895-Y900 HydrophobicContact CD-CE2 4.3Å; K895-Y900 WeakPolarHBondContact CD-OH 3.21Å; K895-Y900 HydrophobicContact CG-CD1 4.39Å; K895-Y900 HydrophobicContact CG-CE1 3.98Å; K895-Y900 HydrophobicContact CG-CE2 4.48Å; K895-Y900 PolarHBondContact NZ-OH 2.82Å; K895-Y934 HydrophobicContact CB-CE2 4.46Å
896N87.4Confident91Very high26 Ų2636.9 Ų36.914%0.13920%0.204CC..EExtended strand (participates in β ladder)trans-96.7106.2176.2-171.43.5000110.3N898 R899 E901 Y928N896-N898 PolarHBondContact O-N 2.52Å; N896-R899 PolarHBondContact N-O 3.29Å; N896-R899 PolarHBondContact O-N 3.01Å; N896-E901 HydrophobicContact CB-CG 4.41Å; N896-E901 WeakPolarHBondContact CB-OE2 3.41Å; N896-E901 PolarHBondContact ND2-OE2 2.76Å; N896-Y928 WeakPolarHBondContact CB-OH 3.33Å
897I82.1Confident90.9Very high137 Ų13738.2 Ų38.270%0.70321%0.214SC*.THydrogen-bonded Turntrans56.8-101.1-169.1-49.9167.9000109
898N85.2Confident90.7Very high92 Ų9238 Ų3849%0.49221%0.212SC..THydrogen-bonded Turntrans-116.913.5-178.6-67.8-16.5000112.8F858 L859 Q871 N896F858-N898 WeakPolarHBondContact CE1-O 3.32Å; L859-N898 HydrophobicContact CD1-CB 3.72Å; Q871-N898 PolarHBondContact NE2-O 2.97Å; N896-N898 PolarHBondContact O-N 2.52Å
899R89.9Confident90.3Very high35 Ų3537.7 Ų37.713%0.13221%0.205CC..EExtended strand (participates in β ladder)trans-121.6144.3-177.3-67.2175.9-59.5116.825.7111.6F858 K895 N896 E901F858-R899 HydrophobicContact CD1-CG 3.74Å; F858-R899 HydrophobicContact CE1-CG 3.72Å; K895-R899 CarbonylContact C-O 3.58Å; K895-R899 WeakPolarHBondContact CA-O 3.33Å; N896-R899 PolarHBondContact N-O 3.29Å; N896-R899 PolarHBondContact O-N 3.01Å; R899-E901 HydrophobicContact CB-CG 4.33Å; R899-E901 IonicContact CZ-OE1 3.25Å; R899-E901 IonicContact NH1-OE1 3.57Å; R899-E901 PolarHBondContact NH1-OE1 3.35Å; R899-E901 IonicContact NH2-OE1 3.69Å; R899-E901 PolarHBondContact NH2-OE1 2.57Å; R899-E901 IonicContact NH2-OE2 3.81Å
900Y93.9Very high89.4Confident7 Ų740.2 Ų40.23%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-93.3120.1170.2-67.6-83.5000109.2Y874 R880 V893 V894 K895 Y934Y874-Y900 VanDerWaalsContact CB-CD1 3.45Å; Y874-Y900 VanDerWaalsContact CB-CG 3.45Å; Y874-Y900 HydrophobicContact CG-CD1 4.3Å; Y874-Y900 HydrophobicContact CG-CG 4.48Å; Y874-Y900 VanDerWaalsContact O-CZ 3.31Å; R880-Y900 PolarHBondContact NE-OH 2.72Å; V893-Y900 HydrophobicContact CG1-CD1 4.3Å; V894-Y900 WeakPolarHBondContact O-CA 3.32Å; K895-Y900 HydrophobicContact CB-CD1 4.16Å; K895-Y900 HydrophobicContact CB-CE1 3.84Å; K895-Y900 HydrophobicContact CD-CE1 4.04Å; K895-Y900 HydrophobicContact CD-CE2 4.3Å; K895-Y900 WeakPolarHBondContact CD-OH 3.21Å; K895-Y900 HydrophobicContact CG-CD1 4.39Å; K895-Y900 HydrophobicContact CG-CE1 3.98Å; K895-Y900 HydrophobicContact CG-CE2 4.48Å; K895-Y900 PolarHBondContact NZ-OH 2.82Å; Y900-Y934 HydrophobicContact CD1-CD2 4.46Å; Y900-Y934 HydrophobicContact CD1-CE2 4.31Å; Y900-Y934 HydrophobicContact CE1-CD2 4.35Å; Y900-Y934 AromaticContact CE1-CE2 3.82Å; Y900-Y934 HydrophobicContact CE1-CE2 3.82Å
901E93.6Very high88.3Confident6 Ų642.1 Ų42.13%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-124136.3-173.2-62.4-174.8135.900110.2V893 V894 N896 R899 L918 T921V893-E901 WeakPolarHBondContact CA-O 3.38Å; V894-E901 PolarHBondContact N-O 3.27Å; V894-E901 PolarHBondContact O-N 3.49Å; N896-E901 HydrophobicContact CB-CG 4.41Å; N896-E901 WeakPolarHBondContact CB-OE2 3.41Å; N896-E901 PolarHBondContact ND2-OE2 2.76Å; R899-E901 HydrophobicContact CB-CG 4.33Å; R899-E901 IonicContact CZ-OE1 3.25Å; R899-E901 IonicContact NH1-OE1 3.57Å; R899-E901 PolarHBondContact NH1-OE1 3.35Å; R899-E901 IonicContact NH2-OE1 3.69Å; R899-E901 PolarHBondContact NH2-OE1 2.57Å; R899-E901 IonicContact NH2-OE2 3.81Å; E901-L918 HydrophobicContact CB-CD2 4.46Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.49Å; E901-T921 HydrophobicContact CG-CG2 4.36Å; E901-T921 WeakPolarHBondContact OE1-CB 3.35Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.31Å; E901-T921 PolarHBondContact OE1-OG1 2.94Å
902R95.8Very high87.6Confident2 Ų242 Ų421%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-72.1138.1172-56.7-173.3-55.61504.6109.6V870 V893 L919 D920 F940 S943 P944V870-R902 HydrophobicContact CG1-CG 4.34Å; V870-R902 HydrophobicContact CG2-CG 4.03Å; V893-R902 HydrophobicContact CG2-CG 4.37Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.19Å; R902-L919 PolarHBondContact O-N 2.88Å; R902-L919 VanDerWaalsContact O-N 3.11Å; R902-D920 IonicContact CZ-OD1 2.71Å; R902-D920 IonicContact CZ-OD2 3.95Å; R902-D920 IonicContact NE-OD1 3.83Å; R902-D920 IonicContact NE-OD2 3.58Å; R902-D920 PolarHBondContact NE-OD2 2.8Å; R902-D920 IonicContact NH2-OD1 3.68Å; R902-D920 PolarHBondContact NH2-OD1 2.86Å; R902-D920 IonicContact NH2-OD2 3.97Å; R902-D920 PolarHBondContact NH2-OD2 3.16Å; R902-F940 WeakPolarHBondContact CD-O 3.43Å; R902-F940 PolarHBondContact NH1-O 2.71Å; R902-S943 PolarHBondContact NH1-O 2.78Å; R902-P944 PolarHBondContact NH2-O 3.41Å
903V95.3Very high87.3Confident0 Ų044.2 Ų44.20%025%0.247CC..EExtended strand (participates in β ladder)trans-134.8152.8-178-49.20000111.2M891 A892 V894 V916 Q917 L918M891-V903 CarbonylContact C-O 3.37Å; M891-V903 VanDerWaalsContact CA-O 3.26Å; M891-V903 WeakPolarHBondContact CA-O 3.47Å; A892-V903 HydrophobicContact CB-CG2 3.93Å; A892-V903 PolarHBondContact N-O 3.11Å; A892-V903 PolarHBondContact O-N 3.11Å; V894-V903 HydrophobicContact CB-CG1 4.45Å; V894-V903 HydrophobicContact CG1-CG1 4.15Å; V894-V903 HydrophobicContact CG1-CG2 4Å; V894-V903 HydrophobicContact CG2-CG1 3.62Å; V903-V916 HydrophobicContact CB-CB 3.81Å; V903-V916 HydrophobicContact CB-CG2 3.8Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.93Å; V903-V916 HydrophobicContact CG2-CB 3.66Å; V903-V916 HydrophobicContact CG2-CG1 3.95Å; V903-V916 HydrophobicContact CG2-CG2 3.82Å; V903-Q917 CarbonylContact C-O 3.55Å; V903-Q917 WeakPolarHBondContact CA-O 3.32Å; V903-Q917 WeakPolarHBondContact CB-O 3.27Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å
904H92.9Very high87Confident33 Ų3344.2 Ų44.215%0.15325%0.247CC..EExtended strand (participates in β ladder)trans-108.4125.3170.7172.7-53.6000108.5V906 V916 Q917 L919 R998H904-V906 PolarHBondContact O-N 2.89Å; H904-V916 WeakPolarHBondContact O-CA 3.5Å; H904-Q917 PolarHBondContact N-O 2.76Å; H904-Q917 PolarHBondContact O-N 2.88Å; H904-L919 HydrophobicContact CB-CD1 4.32Å; H904-L919 HydrophobicContact CB-CD2 3.93Å; H904-L919 HydrophobicContact CB-CG 4.37Å; H904-R998 PolarHBondContact NE2-NH2 2.76Å
905I92.1Very high86.8Confident0 Ų046.4 Ų46.40%026%0.258CS..EExtended strand (participates in β ladder)trans-69.1124.2179.2-62.3157.8000108.6P886 V887 G889 E890 A892 V908 V914 V916 L933P886-I905 HydrophobicContact CB-CD1 3.8Å; V887-I905 WeakPolarHBondContact O-CB 3.44Å; G889-I905 PolarHBondContact N-O 3.06Å; E890-I905 HydrophobicContact CB-CD1 4.15Å; E890-I905 PolarHBondContact O-N 3.21Å; A892-I905 HydrophobicContact CB-CD1 4.26Å; A892-I905 HydrophobicContact CB-CG1 4.47Å; I905-V908 HydrophobicContact CG2-CG2 4.13Å; I905-V914 HydrophobicContact CB-CG1 4.44Å; I905-V914 HydrophobicContact CG1-CG1 4.19Å; I905-V914 HydrophobicContact CG2-CG1 3.58Å; I905-V916 HydrophobicContact CG1-CG1 4.17Å; I905-L933 HydrophobicContact CD1-CD2 4.01Å; I905-L933 HydrophobicContact CG1-CD2 3.97Å
906V88.4Confident86.8Confident50 Ų5043 Ų4330%0.30324%0.243SC..EExtended strand (participates in β ladder)trans-96.5-47.1-177.6-178.50000110.1H904 L915 Q917H904-V906 PolarHBondContact O-N 2.89Å; V906-L915 HydrophobicContact CB-CD2 4.29Å; V906-L915 HydrophobicContact CB-CG 4.27Å; V906-L915 WeakPolarHBondContact CB-O 3.42Å; V906-L915 HydrophobicContact CG1-CD2 4.16Å; V906-L915 PolarHBondContact N-O 2.76Å; V906-Q917 HydrophobicContact CG2-CB 3.77Å
907S86.1Confident87.1Confident42 Ų4243.2 Ų43.229%0.29424%0.243SC..EExtended strand (participates in β ladder)trans-154.1153.8175.651.80000110.8L915S907-L915 PolarHBondContact N-O 2.77Å; S907-L915 PolarHBondContact O-N 3.1Å; S907-L915 WeakPolarHBondContact OG-CB 3.42Å
908V84.6Confident87.7Confident66 Ų6636.8 Ų36.840%0.421%0.21SC..EExtended strand (participates in β ladder)trans-109.9125.2172.3-178.50000106.9P886 P888 I905 V914P886-V908 HydrophobicContact CB-CG2 4.38Å; P886-V908 WeakPolarHBondContact O-CG2 3.38Å; P888-V908 HydrophobicContact CG-CG2 4.33Å; I905-V908 HydrophobicContact CG2-CG2 4.13Å; V908-V914 HydrophobicContact CG2-CG1 4.32Å
909E79.6Confident88.1Confident58 Ų5832.5 Ų32.527%0.27119%0.188SC..EExtended strand (participates in β ladder)trans-97.3150-177.7-62.3172.7-149.600110N911 A912 M913E909-N911 PolarHBondContact O-N 2.75Å; E909-A912 PolarHBondContact O-N 3.41Å; E909-M913 HydrophobicContact CB-CB 4.18Å; E909-M913 PolarHBondContact N-O 3.23Å
910S66.3Low88.2Confident98 Ų9831.3 Ų31.369%0.68518%0.184SC*.THydrogen-bonded Turntrans-59.7-14.7-17454.30000115.4
911N66.8Low87.9Confident105 Ų10531.9 Ų31.956%0.56119%0.188SC*.THydrogen-bonded Turntrans-99.128.1-172.7-61.81.3000112.7E909 M913E909-N911 PolarHBondContact O-N 2.75Å; N911-M913 PolarHBondContact O-N 2.92Å
912A79.4Confident87.8Confident53 Ų5331.8 Ų31.844%0.43819%0.188SC..THydrogen-bonded Turntrans55.229.6-171.600000114E909 K929 T930E909-A912 PolarHBondContact O-N 3.41Å; A912-K929 WeakPolarHBondContact O-CA 3.31Å; A912-T930 HydrophobicContact CB-CG2 4.43Å; A912-T930 PolarHBondContact O-N 3.45Å
913M88.8Confident87.6Confident47 Ų4732.6 Ų32.623%0.23219%0.193CC..EExtended strand (participates in β ladder)trans-104147.9171.8-65.7-62.2-61.300109.5E909 N911 S927 Y928 K929E909-M913 HydrophobicContact CB-CB 4.18Å; E909-M913 PolarHBondContact N-O 3.23Å; N911-M913 PolarHBondContact O-N 2.92Å; M913-S927 VanDerWaalsContact CE-OG 3.27Å; M913-S927 WeakPolarHBondContact CE-OG 3.18Å; M913-Y928 CarbonylContact C-O 3.6Å; M913-Y928 WeakPolarHBondContact CA-O 3.36Å; M913-Y928 VanDerWaalsContact CE-C 3.43Å; M913-Y928 WeakPolarHBondContact CE-O 3.1Å; M913-K929 HydrophobicContact SD-CB 4.37Å; M913-K929 HydrophobicContact SD-CG 3.62Å
914V90.2Very high87.3Confident0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-131.6121.8-178.3-169.50000108.4P886 I905 V908 V916 S927 Y928 T930 L933P886-V914 HydrophobicContact CB-CG1 4.43Å; P886-V914 HydrophobicContact CB-CG2 4.22Å; P886-V914 HydrophobicContact CG-CG2 4.32Å; I905-V914 HydrophobicContact CB-CG1 4.44Å; I905-V914 HydrophobicContact CG1-CG1 4.19Å; I905-V914 HydrophobicContact CG2-CG1 3.58Å; V908-V914 HydrophobicContact CG2-CG1 4.32Å; V914-V916 HydrophobicContact CB-CG1 4.32Å; V914-V916 HydrophobicContact CG1-CG1 3.72Å; V914-S927 WeakPolarHBondContact O-CA 3.41Å; V914-Y928 PolarHBondContact N-O 2.97Å; V914-Y928 PolarHBondContact O-N 3.49Å; V914-T930 HydrophobicContact CG2-CG2 3.54Å; V914-L933 HydrophobicContact CB-CD1 4.33Å; V914-L933 HydrophobicContact CB-CD2 4.31Å; V914-L933 HydrophobicContact CG1-CD2 3.99Å; V914-L933 HydrophobicContact CG2-CD2 4.42Å
915L91.9Very high87.1Confident45 Ų4537.4 Ų37.424%0.23622%0.222CC..EExtended strand (participates in β ladder)trans-83119.3172-174.368.6000108.4V906 S907 C925V906-L915 HydrophobicContact CB-CD2 4.29Å; V906-L915 HydrophobicContact CB-CG 4.27Å; V906-L915 WeakPolarHBondContact CB-O 3.42Å; V906-L915 HydrophobicContact CG1-CD2 4.16Å; V906-L915 PolarHBondContact N-O 2.76Å; S907-L915 PolarHBondContact N-O 2.77Å; S907-L915 PolarHBondContact O-N 3.1Å; S907-L915 WeakPolarHBondContact OG-CB 3.42Å; L915-C925 HydrophobicContact CD1-CB 3.86Å; L915-C925 HydrophobicContact CG-CB 4.17Å
916V93.1Very high87Confident0 Ų040.8 Ų40.80%024%0.237CC..EExtended strand (participates in β ladder)trans-125.8139.1-177.9-51.40000111.1V894 V903 H904 I905 V914 C925 F926 Y928 L933V894-V916 HydrophobicContact CG1-CG2 4.43Å; V903-V916 HydrophobicContact CB-CB 3.81Å; V903-V916 HydrophobicContact CB-CG2 3.8Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.93Å; V903-V916 HydrophobicContact CG2-CB 3.66Å; V903-V916 HydrophobicContact CG2-CG1 3.95Å; V903-V916 HydrophobicContact CG2-CG2 3.82Å; H904-V916 WeakPolarHBondContact O-CA 3.5Å; I905-V916 HydrophobicContact CG1-CG1 4.17Å; V914-V916 HydrophobicContact CB-CG1 4.32Å; V914-V916 HydrophobicContact CG1-CG1 3.72Å; V916-C925 CarbonylContact O-C 3.57Å; V916-C925 VanDerWaalsContact O-CA 3.23Å; V916-C925 WeakPolarHBondContact O-CA 3.17Å; V916-F926 PolarHBondContact N-O 2.9Å; V916-F926 PolarHBondContact O-N 2.91Å; V916-Y928 HydrophobicContact CG2-CD2 3.69Å; V916-Y928 HydrophobicContact CG2-CE2 3.97Å; V916-L933 HydrophobicContact CG1-CD1 4.24Å; V916-L933 HydrophobicContact CG1-CD2 4.16Å
917Q93.5Very high87.2Confident31 Ų3141 Ų4115%0.14524%0.241CC..EExtended strand (participates in β ladder)trans-92.7128.9173.4174166.368.500109.6V903 H904 V906 T923 E924V903-Q917 CarbonylContact C-O 3.55Å; V903-Q917 WeakPolarHBondContact CA-O 3.32Å; V903-Q917 WeakPolarHBondContact CB-O 3.27Å; H904-Q917 PolarHBondContact N-O 2.76Å; H904-Q917 PolarHBondContact O-N 2.88Å; V906-Q917 HydrophobicContact CG2-CB 3.77Å; Q917-T923 PolarHBondContact NE2-O 3.41Å; Q917-E924 WeakPolarHBondContact CA-O 3.34Å
918L93.8Very high87.5Confident2 Ų240.2 Ų40.21%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-66.9148.1171.9-57.8-170.9000110.7E901 V903 S922 E924 F926E901-L918 HydrophobicContact CB-CD2 4.46Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.49Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å; L918-S922 CarbonylContact C-O 3.54Å; L918-S922 VanDerWaalsContact C-O 3.28Å; L918-S922 WeakPolarHBondContact CB-O 3.28Å; L918-E924 PolarHBondContact N-O 3.15Å; L918-F926 HydrophobicContact CD1-CD2 3.96Å; L918-F926 HydrophobicContact CD1-CE2 3.51Å; L918-F926 HydrophobicContact CD1-CZ 4.46Å; L918-F926 HydrophobicContact CD2-CD2 4.29Å; L918-F926 HydrophobicContact CG-CD2 3.83Å; L918-F926 HydrophobicContact CG-CE2 3.81Å
919L93.9Very high87.8Confident3 Ų342.9 Ų42.92%0.01624%0.237CC..SBendtrans-110.4-28-174.8-65177.8000115.1M891 R902 H904 R945 E946 A947M891-L919 HydrophobicContact CG-CD1 4.02Å; M891-L919 HydrophobicContact SD-CD1 3.75Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.19Å; R902-L919 PolarHBondContact O-N 2.88Å; R902-L919 VanDerWaalsContact O-N 3.11Å; H904-L919 HydrophobicContact CB-CD1 4.32Å; H904-L919 HydrophobicContact CB-CD2 3.93Å; H904-L919 HydrophobicContact CB-CG 4.37Å; L919-R945 HydrophobicContact CB-CB 4.17Å; L919-R945 HydrophobicContact CD2-CB 4.25Å; L919-R945 WeakPolarHBondContact O-CB 3.49Å; L919-E946 PolarHBondContact O-N 3.35Å; L919-E946 VanDerWaalsContact O-N 3.17Å; L919-A947 WeakPolarHBondContact O-CB 3.49Å; L919-A947 PolarHBondContact O-N 3.27Å
920D92.1Very high88.2Confident10 Ų1042.1 Ų42.15%0.05324%0.237CC..SBendtrans-121.3-14.9-165.9-58.8-41.6000115R902 E946R902-D920 IonicContact CZ-OD1 2.71Å; R902-D920 IonicContact CZ-OD2 3.95Å; R902-D920 IonicContact NE-OD1 3.83Å; R902-D920 IonicContact NE-OD2 3.58Å; R902-D920 PolarHBondContact NE-OD2 2.8Å; R902-D920 IonicContact NH2-OD1 3.68Å; R902-D920 PolarHBondContact NH2-OD1 2.86Å; R902-D920 IonicContact NH2-OD2 3.97Å; R902-D920 PolarHBondContact NH2-OD2 3.16Å; D920-E946 HydrophobicContact CB-CB 4.23Å; D920-E946 PolarHBondContact OD1-N 3.31Å; D920-E946 VanDerWaalsContact OD1-N 3.11Å
921T88.2Confident89.3Confident18 Ų1840.3 Ų40.311%0.1122%0.224CC..SBendtrans-131.7-18.3-166.6600000113.8L836 F861 E901L836-T921 WeakPolarHBondContact CB-O 3.39Å; F861-T921 HydrophobicContact CE1-CG2 3.68Å; F861-T921 HydrophobicContact CZ-CG2 3.91Å; E901-T921 HydrophobicContact CG-CG2 4.36Å; E901-T921 WeakPolarHBondContact OE1-CB 3.35Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.31Å; E901-T921 PolarHBondContact OE1-OG1 2.94Å
922S90.9Very high90.5Very high4 Ų439.6 Ų39.63%0.02822%0.218CC..  trans-161.7164174.5-171.20000106.5Y839 L918 E924Y839-S922 PolarHBondContact OH-OG 3.39Å; L918-S922 CarbonylContact C-O 3.54Å; L918-S922 VanDerWaalsContact C-O 3.28Å; L918-S922 WeakPolarHBondContact CB-O 3.28Å; S922-E924 WeakPolarHBondContact OG-CB 3.47Å; S922-E924 WeakPolarHBondContact OG-CG 3.22Å; S922-E924 PolarHBondContact OG-N 2.92Å; S922-E924 PolarHBondContact OG-OE2 3.23Å
923T90.9Very high91.2Very high20 Ų2037 Ų3712%0.12320%0.197CC..  trans-104.98.4166.959.60000112.5Y839 A845 Q917 A947Y839-T923 WeakPolarHBondContact CE2-OG1 3.37Å; Y839-T923 PolarHBondContact OH-N 2.69Å; Y839-T923 PolarHBondContact OH-OG1 2.79Å; A845-T923 HydrophobicContact CB-CG2 4.33Å; Q917-T923 PolarHBondContact NE2-O 3.41Å; T923-A947 HydrophobicContact CG2-CB 4.02Å
924E89.5Confident91.5Very high71 Ų7136.7 Ų36.733%0.33219%0.193SC..  trans-67.3154.5177-78.7161.514000112.9Y839 Q917 L918 S922 F926Y839-E924 HydrophobicContact CD1-CG 4.22Å; Y839-E924 HydrophobicContact CE1-CG 3.47Å; Y839-E924 VanDerWaalsContact CE1-CG 3.47Å; Q917-E924 WeakPolarHBondContact CA-O 3.34Å; L918-E924 PolarHBondContact N-O 3.15Å; S922-E924 WeakPolarHBondContact OG-CB 3.47Å; S922-E924 WeakPolarHBondContact OG-CG 3.22Å; S922-E924 PolarHBondContact OG-N 2.92Å; S922-E924 PolarHBondContact OG-OE2 3.23Å; E924-F926 HydrophobicContact CB-CD2 4.3Å; E924-F926 HydrophobicContact CB-CE2 3.49Å; E924-F926 VanDerWaalsContact CB-CE2 3.49Å; E924-F926 HydrophobicContact CB-CZ 3.84Å
925C89.9Confident91.7Very high62 Ų6238.4 Ų38.442%0.41921%0.205SC..EExtended strand (participates in β ladder)trans-102.3137.5171.2-570000110.9L915 V916L915-C925 HydrophobicContact CD1-CB 3.86Å; L915-C925 HydrophobicContact CG-CB 4.17Å; V916-C925 CarbonylContact O-C 3.57Å; V916-C925 VanDerWaalsContact O-CA 3.23Å; V916-C925 WeakPolarHBondContact O-CA 3.17Å
926F90.1Very high91.8Very high71 Ų7136.5 Ų36.531%0.31120%0.196SC..EExtended strand (participates in β ladder)trans-129.8147.3178.4-62.9-90.5000109.9V916 L918 E924 Y928V916-F926 PolarHBondContact N-O 2.9Å; V916-F926 PolarHBondContact O-N 2.91Å; L918-F926 HydrophobicContact CD1-CD2 3.96Å; L918-F926 HydrophobicContact CD1-CE2 3.51Å; L918-F926 HydrophobicContact CD1-CZ 4.46Å; L918-F926 HydrophobicContact CD2-CD2 4.29Å; L918-F926 HydrophobicContact CG-CD2 3.83Å; L918-F926 HydrophobicContact CG-CE2 3.81Å; E924-F926 HydrophobicContact CB-CD2 4.3Å; E924-F926 HydrophobicContact CB-CE2 3.49Å; E924-F926 VanDerWaalsContact CB-CE2 3.49Å; E924-F926 HydrophobicContact CB-CZ 3.84Å; F926-Y928 HydrophobicContact CB-CD2 4.12Å; F926-Y928 HydrophobicContact CB-CE2 3.62Å
927S91.6Very high91.8Very high56 Ų5638.7 Ų38.739%0.39221%0.209SC..EExtended strand (participates in β ladder)trans-99122.3176-167.30000109.8M913 V914M913-S927 VanDerWaalsContact CE-OG 3.27Å; M913-S927 WeakPolarHBondContact CE-OG 3.18Å; V914-S927 WeakPolarHBondContact O-CA 3.41Å
928Y91.6Very high91.5Very high25 Ų2542.6 Ų42.610%0.09823%0.227CC..EExtended strand (participates in β ladder)trans-121.1157.4179.3-74.7-88.3000110.3V894 N896 M913 V914 V916 F926 Q932V894-Y928 HydrophobicContact CB-CE1 4.33Å; V894-Y928 HydrophobicContact CB-CE2 4.3Å; V894-Y928 HydrophobicContact CG1-CD2 4.2Å; V894-Y928 HydrophobicContact CG1-CE2 4.34Å; V894-Y928 HydrophobicContact CG1-CG 4.36Å; V894-Y928 HydrophobicContact CG2-CE1 4.37Å; V894-Y928 HydrophobicContact CG2-CE2 3.84Å; N896-Y928 WeakPolarHBondContact CB-OH 3.33Å; M913-Y928 CarbonylContact C-O 3.6Å; M913-Y928 WeakPolarHBondContact CA-O 3.36Å; M913-Y928 VanDerWaalsContact CE-C 3.43Å; M913-Y928 WeakPolarHBondContact CE-O 3.1Å; V914-Y928 PolarHBondContact N-O 2.97Å; V914-Y928 PolarHBondContact O-N 3.49Å; V916-Y928 HydrophobicContact CG2-CD2 3.69Å; V916-Y928 HydrophobicContact CG2-CE2 3.97Å; F926-Y928 HydrophobicContact CB-CD2 4.12Å; F926-Y928 HydrophobicContact CB-CE2 3.62Å; Y928-Q932 HydrophobicContact CD1-CB 4.19Å
929K91.6Very high91.3Very high121 Ų12147.5 Ų47.553%0.52625%0.252SS..EExtended strand (participates in β ladder)trans-68.6149.5167.8-65.9179177.8-177.60109.8A912 M913 S931 Q932A912-K929 WeakPolarHBondContact O-CA 3.31Å; M913-K929 HydrophobicContact SD-CB 4.37Å; M913-K929 HydrophobicContact SD-CG 3.62Å; K929-S931 PolarHBondContact O-N 2.91Å; K929-S931 VanDerWaalsContact O-N 3.17Å; K929-Q932 HydrophobicContact CB-CG 4.17Å; K929-Q932 WeakPolarHBondContact O-CB 3.18Å; K929-Q932 PolarHBondContact O-N 2.98Å
930T89.1Confident91.2Very high43 Ų4347.6 Ų47.626%0.26425%0.252SS..G310 helixtrans-52.3-37171.949.90000112.4P886 A912 V914 Q932 L933P886-T930 HydrophobicContact CG-CG2 4.28Å; A912-T930 HydrophobicContact CB-CG2 4.43Å; A912-T930 PolarHBondContact O-N 3.45Å; V914-T930 HydrophobicContact CG2-CG2 3.54Å; T930-Q932 PolarHBondContact O-N 2.82Å; T930-L933 PolarHBondContact O-N 2.83Å
931S89.2Confident91Very high60 Ų6049.5 Ų49.542%0.4226%0.26SS..G310 helixtrans-69.5-4.6176.358.20000115.7K929K929-S931 PolarHBondContact O-N 2.91Å; K929-S931 VanDerWaalsContact O-N 3.17Å
932Q91.2Very high90.9Very high89 Ų8955.2 Ų55.242%0.41629%0.29SS..G310 helixtrans-104.7-1.6175.7-63.1172.6-49.100112.6Y928 K929 T930Y928-Q932 HydrophobicContact CD1-CB 4.19Å; K929-Q932 HydrophobicContact CB-CG 4.17Å; K929-Q932 WeakPolarHBondContact O-CB 3.18Å; K929-Q932 PolarHBondContact O-N 2.98Å; T930-Q932 PolarHBondContact O-N 2.82Å
933L94.2Very high90.9Very high0 Ų056.3 Ų56.30%030%0.298CS..EExtended strand (participates in β ladder)trans-92132.8170.4-9167.8000110.4H883 P886 A892 V894 I905 V914 V916 T930H883-L933 HydrophobicContact CB-CB 3.89Å; H883-L933 PolarHBondContact N-O 3.42Å; P886-L933 HydrophobicContact CB-CD2 4.14Å; P886-L933 HydrophobicContact CG-CD2 4.14Å; A892-L933 HydrophobicContact CB-CB 4.48Å; A892-L933 HydrophobicContact CB-CD2 3.88Å; A892-L933 HydrophobicContact CB-CG 4.09Å; V894-L933 HydrophobicContact CG1-CD1 3.79Å; V894-L933 HydrophobicContact CG1-CG 4.01Å; I905-L933 HydrophobicContact CD1-CD2 4.01Å; I905-L933 HydrophobicContact CG1-CD2 3.97Å; V914-L933 HydrophobicContact CB-CD1 4.33Å; V914-L933 HydrophobicContact CB-CD2 4.31Å; V914-L933 HydrophobicContact CG1-CD2 3.99Å; V914-L933 HydrophobicContact CG2-CD2 4.42Å; V916-L933 HydrophobicContact CG1-CD1 4.24Å; V916-L933 HydrophobicContact CG1-CD2 4.16Å; T930-L933 PolarHBondContact O-N 2.83Å
934Y95.2Very high90.9Very high39 Ų3958.1 Ų58.115%0.15331%0.31CS..EExtended strand (participates in β ladder)trans-105.9148.2169.2-52.1-66.9000110.5R880 H881 A892 V893 K895 Y900 C936R880-Y934 HydrophobicContact CB-CD1 4.01Å; R880-Y934 HydrophobicContact CB-CE1 3.8Å; R880-Y934 WeakPolarHBondContact O-CD1 3.41Å; H881-Y934 CarbonylContact O-C 3.55Å; H881-Y934 WeakPolarHBondContact O-CA 3.39Å; H881-Y934 WeakPolarHBondContact O-CB 3.03Å; A892-Y934 WeakPolarHBondContact CB-O 3.22Å; V893-Y934 PolarHBondContact N-O 2.94Å; V893-Y934 PolarHBondContact O-N 3.09Å; K895-Y934 HydrophobicContact CB-CE2 4.46Å; Y900-Y934 HydrophobicContact CD1-CD2 4.46Å; Y900-Y934 HydrophobicContact CD1-CE2 4.31Å; Y900-Y934 HydrophobicContact CE1-CD2 4.35Å; Y900-Y934 AromaticContact CE1-CE2 3.82Å; Y900-Y934 HydrophobicContact CE1-CE2 3.82Å; Y934-C936 PolarHBondContact O-N 3.17Å
935S94Very high91.1Very high37 Ų3756.5 Ų56.526%0.25930%0.301SS..EExtended strand (participates in β ladder)trans-62.3126.6173.3-590000110.6Y874 H881 V937Y874-S935 PolarHBondContact OH-O 2.94Å; H881-S935 PolarHBondContact O-N 3.01Å; S935-V937 PolarHBondContact O-N 3.42Å
936C94.3Very high91.2Very high5 Ų553.8 Ų53.83%0.03428%0.282CS..PPolyproline II helixtrans-74.7123.5173-1650000109.4Y874 M891 V893 Y934 K941Y874-C936 WeakPolarHBondContact OH-CA 3.5Å; M891-C936 HydrophobicContact CB-CB 4.45Å; M891-C936 WeakPolarHBondContact O-CB 3.41Å; V893-C936 HydrophobicContact CG2-CB 4.22Å; Y934-C936 PolarHBondContact O-N 3.17Å; C936-K941 HydrophobicContact CB-CG 4.07Å; C936-K941 WeakPolarHBondContact O-CE 3.42Å
937V92.4Very high91.5Very high45 Ų4550.4 Ų50.427%0.27327%0.267SS..PPolyproline II helixtrans-74.3145.1175.8-68.60000111.1Y874 S935 I939 F940 K941Y874-V937 PolarHBondContact OH-N 3.35Å; Y874-V937 VanDerWaalsContact OH-N 3.15Å; S935-V937 PolarHBondContact O-N 3.42Å; V937-I939 HydrophobicContact CB-CG1 4.3Å; V937-I939 HydrophobicContact CG2-CD1 4.11Å; V937-I939 HydrophobicContact CG2-CG1 3.6Å; V937-I939 PolarHBondContact O-N 2.91Å; V937-I939 VanDerWaalsContact O-N 3.09Å; V937-F940 HydrophobicContact CG2-CD2 3.33Å; V937-F940 HydrophobicContact CG2-CE2 3.62Å; V937-F940 HydrophobicContact CG2-CG 4.16Å; V937-F940 PolarHBondContact O-N 2.83Å; V937-K941 PolarHBondContact O-N 3.02Å
938E88.3Confident91.6Very high114 Ų11447.8 Ų47.853%0.53325%0.249SC..Hα-helixtrans-52.9-38.3-170.7-54.6-50.312600113.8F940 K941 D942E938-F940 PolarHBondContact O-N 2.87Å; E938-K941 PolarHBondContact O-N 2.97Å; E938-K941 WeakPolarHBondContact OE1-CD 3.35Å; E938-K941 IonicContact OE1-NZ 3.47Å; E938-K941 PolarHBondContact OE1-NZ 3.27Å; E938-K941 WeakPolarHBondContact OE2-CD 3.26Å; E938-K941 IonicContact OE2-NZ 3.14Å; E938-D942 PolarHBondContact O-N 3.03Å
939I88.4Confident91.8Very high105 Ų10547.2 Ų47.254%0.53825%0.248SC..Hα-helixtrans-56.2-14.8175.462.5167.5000114.9V937V937-I939 HydrophobicContact CB-CG1 4.3Å; V937-I939 HydrophobicContact CG2-CD1 4.11Å; V937-I939 HydrophobicContact CG2-CG1 3.6Å; V937-I939 PolarHBondContact O-N 2.91Å; V937-I939 VanDerWaalsContact O-N 3.09Å
940F92.1Very high92.1Very high4 Ų441.5 Ų41.52%0.01822%0.223CC..Hα-helixtrans-114.5-10.1175.1-57.4-37.9000113.6L866 R869 V870 H873 Y874 R902 V937 E938L866-F940 HydrophobicContact CD1-CD1 3.93Å; R869-F940 HydrophobicContact CB-CE1 3.85Å; R869-F940 HydrophobicContact CB-CZ 4.23Å; V870-F940 HydrophobicContact CG2-CB 4.36Å; V870-F940 HydrophobicContact CG2-CD1 3.83Å; V870-F940 HydrophobicContact CG2-CD2 3.94Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.15Å; V870-F940 HydrophobicContact CG2-CG 3.78Å; V870-F940 HydrophobicContact CG2-CZ 4.21Å; H873-F940 HydrophobicContact CB-CE2 3.75Å; H873-F940 HydrophobicContact CB-CZ 3.82Å; H873-F940 AromaticContact CD2-CE2 3.86Å; H873-F940 AromaticContact CG-CE2 3.75Å; Y874-F940 HydrophobicContact CD2-CE2 4.46Å; Y874-F940 AromaticContact CE2-CD2 3.89Å; Y874-F940 HydrophobicContact CE2-CD2 3.89Å; Y874-F940 AromaticContact CE2-CE2 3.88Å; Y874-F940 HydrophobicContact CE2-CE2 3.88Å; R902-F940 WeakPolarHBondContact CD-O 3.43Å; R902-F940 PolarHBondContact NH1-O 2.71Å; V937-F940 HydrophobicContact CG2-CD2 3.33Å; V937-F940 HydrophobicContact CG2-CE2 3.62Å; V937-F940 HydrophobicContact CG2-CG 4.16Å; V937-F940 PolarHBondContact O-N 2.83Å; E938-F940 PolarHBondContact O-N 2.87Å
941K88.6Confident92.4Very high50 Ų5041.1 Ų41.122%0.21722%0.216CC..Hα-helixtrans-77.4-39.9171.3-74.7171.4168.2173.50111.5M891 C936 V937 E938 S943M891-K941 HydrophobicContact CB-CG 4.43Å; M891-K941 HydrophobicContact CE-CB 4.07Å; M891-K941 HydrophobicContact CE-CG 4.31Å; M891-K941 WeakPolarHBondContact CE-O 3.42Å; C936-K941 HydrophobicContact CB-CG 4.07Å; C936-K941 WeakPolarHBondContact O-CE 3.42Å; V937-K941 PolarHBondContact O-N 3.02Å; E938-K941 PolarHBondContact O-N 2.97Å; E938-K941 WeakPolarHBondContact OE1-CD 3.35Å; E938-K941 IonicContact OE1-NZ 3.47Å; E938-K941 PolarHBondContact OE1-NZ 3.27Å; E938-K941 WeakPolarHBondContact OE2-CD 3.26Å; E938-K941 IonicContact OE2-NZ 3.14Å; K941-S943 PolarHBondContact O-N 3.13Å; K941-S943 VanDerWaalsContact O-N 3.15Å
942D86.1Confident92.8Very high138 Ų13838.6 Ų38.674%0.73820%0.198SC*.SBendtrans-65.7-16.8-179.1-65.8-27.4000114.3E938E938-D942 PolarHBondContact O-N 3.03Å
943S89.6Confident93Very high28 Ų2835.5 Ų35.520%0.19618%0.184CC..SBendtrans-83.1135.4-177.4-62.80000111.9R902 K941R902-S943 PolarHBondContact NH1-O 2.78Å; K941-S943 PolarHBondContact O-N 3.13Å; K941-S943 VanDerWaalsContact O-N 3.15Å
944P91.9Very high92.9Very high57 Ų5735.5 Ų35.537%0.3718%0.184SC..PPolyproline II helixtrans-62.6165.3176.728.4-36.3000112.2F852 R902F852-P944 HydrophobicContact CE1-CG 3.94Å; F852-P944 HydrophobicContact CZ-CB 4.48Å; F852-P944 HydrophobicContact CZ-CG 3.96Å; R902-P944 PolarHBondContact NH2-O 3.41Å
945R92.6Very high92.9Very high37 Ų3733.7 Ų33.714%0.1418%0.177CC..PPolyproline II helixtrans-75.4140.2175.166.1179.768.3-146-1.6110.5H824 Y825 L919H824-R945 PolarHBondContact NE2-O 3.03Å; Y825-R945 HydrophobicContact CE2-CG 4.4Å; L919-R945 HydrophobicContact CB-CB 4.17Å; L919-R945 HydrophobicContact CD2-CB 4.25Å; L919-R945 WeakPolarHBondContact O-CB 3.49Å
946E94.1Very high92.8Very high5 Ų531.9 Ų31.92%0.02317%0.165CC..  trans-94.2-25.6179.6-60.6-170179.200114.5R847 F852 S864 L866 L919 D920R847-E946 WeakPolarHBondContact CD-OE2 3.44Å; R847-E946 HydrophobicContact CG-CB 4.2Å; R847-E946 IonicContact CZ-OE2 3.65Å; R847-E946 IonicContact NE-OE2 3.5Å; R847-E946 IonicContact NH1-OE2 3.32Å; R847-E946 PolarHBondContact NH1-OE2 3.19Å; F852-E946 HydrophobicContact CB-CG 4.24Å; F852-E946 HydrophobicContact CD1-CG 3.83Å; F852-E946 HydrophobicContact CD2-CB 4.45Å; F852-E946 HydrophobicContact CD2-CG 4.42Å; F852-E946 HydrophobicContact CE1-CG 4.29Å; F852-E946 HydrophobicContact CG-CB 4.32Å; F852-E946 HydrophobicContact CG-CG 3.9Å; S864-E946 WeakPolarHBondContact CB-OE1 3.32Å; S864-E946 VanDerWaalsContact CB-OE2 3.29Å; S864-E946 WeakPolarHBondContact CB-OE2 3.13Å; S864-E946 PolarHBondContact OG-OE1 3.04Å; S864-E946 PolarHBondContact OG-OE2 2.77Å; L866-E946 WeakPolarHBondContact CB-OE1 3.42Å; L919-E946 PolarHBondContact O-N 3.35Å; L919-E946 VanDerWaalsContact O-N 3.17Å; D920-E946 HydrophobicContact CB-CB 4.23Å; D920-E946 PolarHBondContact OD1-N 3.31Å; D920-E946 VanDerWaalsContact OD1-N 3.11Å
947A94.4Very high92.5Very high1 Ų132 Ų321%0.00817%0.165CC..  trans-88.8125.1178.900000111.2L836 L919 T923L836-A947 HydrophobicContact CD1-CB 3.84Å; L919-A947 WeakPolarHBondContact O-CB 3.49Å; L919-A947 PolarHBondContact O-N 3.27Å; T923-A947 HydrophobicContact CG2-CB 4.02Å
948M95.4Very high91.9Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-120.8139.9179.3-55.8-178.4177.600110Y825 A845 V846 L848 F852 I1000Y825-M948 HydrophobicContact CD1-SD 4.4Å; Y825-M948 HydrophobicContact CD2-CE 3.82Å; Y825-M948 HydrophobicContact CD2-CG 4.41Å; Y825-M948 HydrophobicContact CD2-SD 4.12Å; Y825-M948 HydrophobicContact CE1-CB 4.1Å; Y825-M948 HydrophobicContact CE1-CG 4.13Å; Y825-M948 HydrophobicContact CE1-SD 4.42Å; Y825-M948 HydrophobicContact CE2-CE 3.99Å; Y825-M948 HydrophobicContact CE2-CG 3.84Å; Y825-M948 HydrophobicContact CE2-SD 4.16Å; Y825-M948 HydrophobicContact CG-CE 4.41Å; Y825-M948 HydrophobicContact CG-SD 4.25Å; A845-M948 WeakPolarHBondContact CA-O 3.49Å; V846-M948 HydrophobicContact CG2-CB 4.35Å; V846-M948 PolarHBondContact N-O 3.1Å; V846-M948 PolarHBondContact O-N 2.89Å; L848-M948 HydrophobicContact CD1-CE 3.78Å; L848-M948 HydrophobicContact CD1-SD 3.59Å; L848-M948 VanDerWaalsContact CD1-SD 3.59Å; L848-M948 HydrophobicContact CD2-SD 4.42Å; L848-M948 HydrophobicContact CG-CE 4.2Å; L848-M948 HydrophobicContact CG-SD 3.73Å; F852-M948 HydrophobicContact CE2-CE 4.04Å; M948-I1000 HydrophobicContact CB-CD1 4.04Å; M948-I1000 HydrophobicContact CG-CD1 4.45Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å
949D95.6Very high91.7Very high14 Ų1429.2 Ų29.28%0.07515%0.153CC..EExtended strand (participates in β ladder)trans-80119.5172.3-172.2-13.4000109.2S843 L844 R951 T999 I1000S843-D949 PolarHBondContact OG-OD1 2.88Å; S843-D949 VanDerWaalsContact OG-OD1 3.08Å; L844-D949 WeakPolarHBondContact O-CA 3.23Å; D949-R951 VanDerWaalsContact CG-NE 3.31Å; D949-R951 WeakPolarHBondContact OD1-CG 3.39Å; D949-R951 IonicContact OD1-CZ 2.73Å; D949-R951 IonicContact OD1-NE 3.72Å; D949-R951 PolarHBondContact OD1-NE 2.67Å; D949-R951 IonicContact OD2-CZ 3.29Å; D949-R951 IonicContact OD2-NE 3.58Å; D949-R951 PolarHBondContact OD2-NE 2.99Å; D949-R951 IonicContact OD2-NH2 2.69Å; D949-R951 PolarHBondContact OD2-NH2 3.01Å; D949-T999 HydrophobicContact CB-CG2 4.48Å; D949-I1000 PolarHBondContact O-N 2.83Å
950L97.1Very high91.6Very high0 Ų024.3 Ų24.30%013%0.128CC..EExtended strand (participates in β ladder)trans-114.3123.4179.6-175.871.4000109.3I831 F833 S843 L844 V846 I1000 V1002 I1005I831-L950 HydrophobicContact CD1-CD1 4.04Å; F833-L950 HydrophobicContact CD1-CD2 4.27Å; F833-L950 HydrophobicContact CD2-CD2 4.24Å; F833-L950 HydrophobicContact CE1-CD2 3.67Å; F833-L950 HydrophobicContact CE2-CD2 3.62Å; F833-L950 HydrophobicContact CZ-CD2 3.29Å; S843-L950 WeakPolarHBondContact CA-O 3.37Å; L844-L950 PolarHBondContact N-O 2.74Å; L844-L950 PolarHBondContact O-N 3.27Å; V846-L950 HydrophobicContact CG1-CB 3.88Å; V846-L950 HydrophobicContact CG1-CD2 3.87Å; V846-L950 HydrophobicContact CG2-CB 3.78Å; V846-L950 HydrophobicContact CG2-CD2 4.19Å; L950-I1000 WeakPolarHBondContact CA-O 3.42Å; L950-I1000 HydrophobicContact CD1-CB 3.8Å; L950-I1000 HydrophobicContact CD1-CG2 3.61Å; L950-V1002 HydrophobicContact CD1-CG1 3.71Å; L950-V1002 HydrophobicContact CD1-CG2 4.09Å; L950-V1002 HydrophobicContact CG-CG2 4.26Å; L950-I1005 HydrophobicContact CD2-CD1 3.67Å; L950-I1005 HydrophobicContact CD2-CG1 4.25Å; L950-I1005 HydrophobicContact CG-CD1 4.31Å
951R96.3Very high91.1Very high36 Ų3627.2 Ų27.214%0.13614%0.144CC..EExtended strand (participates in β ladder)trans-125.5140.5-175.1-56.1-167.2-177.9-179.8-2.1113A799 A842 D949 L953 T999 I1000 F1001 V1002A799-R951 VanDerWaalsContact CB-NH1 3.31Å; A842-R951 VanDerWaalsContact O-CA 3.25Å; A842-R951 WeakPolarHBondContact O-CA 3.28Å; D949-R951 VanDerWaalsContact CG-NE 3.31Å; D949-R951 WeakPolarHBondContact OD1-CG 3.39Å; D949-R951 IonicContact OD1-CZ 2.73Å; D949-R951 IonicContact OD1-NE 3.72Å; D949-R951 PolarHBondContact OD1-NE 2.67Å; D949-R951 IonicContact OD2-CZ 3.29Å; D949-R951 IonicContact OD2-NE 3.58Å; D949-R951 PolarHBondContact OD2-NE 2.99Å; D949-R951 IonicContact OD2-NH2 2.69Å; D949-R951 PolarHBondContact OD2-NH2 3.01Å; R951-L953 PolarHBondContact O-N 3.47Å; R951-T999 HydrophobicContact CB-CG2 4.35Å; R951-T999 HydrophobicContact CG-CG2 3.72Å; R951-I1000 PolarHBondContact N-O 2.82Å; R951-F1001 HydrophobicContact CB-CD1 4.21Å; R951-F1001 HydrophobicContact CB-CE1 4.26Å; R951-V1002 WeakPolarHBondContact O-CG2 3.47Å; R951-V1002 PolarHBondContact O-N 2.9Å
952I96.6Very high91.1Very high6 Ų625.5 Ų25.53%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-81116.9171.4-59.7-179.6000108.4A842 G954 L955 V1002 I1005 L1013 L1014A842-I952 PolarHBondContact O-N 2.95Å; I952-G954 PolarHBondContact O-N 3.22Å; I952-L955 HydrophobicContact CB-CB 4.1Å; I952-L955 HydrophobicContact CB-CD2 3.99Å; I952-L955 HydrophobicContact CD1-CD2 3.96Å; I952-L955 HydrophobicContact CG2-CB 3.76Å; I952-L955 HydrophobicContact CG2-CD2 3.82Å; I952-L955 HydrophobicContact CG2-CG 4.44Å; I952-L955 PolarHBondContact O-N 2.92Å; I952-V1002 WeakPolarHBondContact CA-O 3.49Å; I952-V1002 HydrophobicContact CG1-CG2 4.49Å; I952-I1005 HydrophobicContact CD1-CD1 4.45Å; I952-I1005 HydrophobicContact CG1-CD1 4.25Å; I952-I1005 HydrophobicContact CG1-CG1 4.42Å; I952-L1013 HydrophobicContact CD1-CD2 3.99Å; I952-L1013 HydrophobicContact CD1-CG 4.12Å; I952-L1014 HydrophobicContact CG2-CD1 4.26Å
953L95.4Very high91Very high25 Ų2524.7 Ų24.713%0.13113%0.13CC..THydrogen-bonded Turntrans-58.8123.5-174.3-178.470.9000111.7R951 L955 F1001 V1002 C1029 Q1030 L1033R951-L953 PolarHBondContact O-N 3.47Å; L953-L955 PolarHBondContact O-N 2.94Å; L953-F1001 HydrophobicContact CD1-CB 4.44Å; L953-F1001 HydrophobicContact CD1-CD1 4.09Å; L953-F1001 HydrophobicContact CD1-CG 4.49Å; L953-V1002 WeakPolarHBondContact CB-O 3.38Å; L953-V1002 PolarHBondContact N-O 2.99Å; L953-C1029 HydrophobicContact CD1-CB 4.1Å; L953-C1029 HydrophobicContact CG-CB 4.35Å; L953-Q1030 HydrophobicContact CD1-CB 4.42Å; L953-Q1030 HydrophobicContact CD2-CB 4.12Å; L953-L1033 HydrophobicContact CD1-CD1 3.82Å
954G93.2Very high90.8Very high0 Ų024.9 Ų24.90%013%0.127CC..THydrogen-bonded Turntrans75.7-8.2173.900000116.2I952 Q956 D1026I952-G954 PolarHBondContact O-N 3.22Å; G954-Q956 PolarHBondContact O-N 3.33Å; G954-Q956 PolarHBondContact O-NE2 3.01Å; G954-D1026 PolarHBondContact O-N 2.7Å
955L95.1Very high90Very high0 Ų024.8 Ų24.80%013%0.126CC..EExtended strand (participates in β ladder)trans-76110.6-177-18060.9000111.3A842 I952 L953 W964 L1014 V1017A842-L955 HydrophobicContact CB-CB 4.07Å; A842-L955 HydrophobicContact CB-CD2 3.98Å; A842-L955 HydrophobicContact CB-CG 3.96Å; A842-L955 VanDerWaalsContact CB-O 3.29Å; A842-L955 WeakPolarHBondContact CB-O 3.4Å; I952-L955 HydrophobicContact CB-CB 4.1Å; I952-L955 HydrophobicContact CB-CD2 3.99Å; I952-L955 HydrophobicContact CD1-CD2 3.96Å; I952-L955 HydrophobicContact CG2-CB 3.76Å; I952-L955 HydrophobicContact CG2-CD2 3.82Å; I952-L955 HydrophobicContact CG2-CG 4.44Å; I952-L955 PolarHBondContact O-N 2.92Å; L953-L955 PolarHBondContact O-N 2.94Å; L955-W964 HydrophobicContact CD1-CH2 4.41Å; L955-W964 HydrophobicContact CD1-CZ2 4.37Å; L955-W964 HydrophobicContact CG-CH2 4.48Å; L955-W964 HydrophobicContact CG-CZ2 4.04Å; L955-L1014 HydrophobicContact CD1-CD1 3.9Å; L955-L1014 HydrophobicContact CD2-CD1 3.87Å; L955-L1014 HydrophobicContact CG-CD1 4.3Å; L955-V1017 HydrophobicContact CD1-CG1 4.36Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å
956Q91.4Very high89.2Confident0 Ų027.6 Ų27.60%014%0.144CC..EExtended strand (participates in β ladder)trans-134156.2-178.275.4-158-91.400111.1F800 G954 R962 S1023 H1024 D1026F800-Q956 HydrophobicContact CE1-CB 3.94Å; F800-Q956 HydrophobicContact CZ-CB 4.1Å; G954-Q956 PolarHBondContact O-N 3.33Å; G954-Q956 PolarHBondContact O-NE2 3.01Å; Q956-R962 HydrophobicContact CB-CG 4.49Å; Q956-S1023 CarbonylContact O-C 3.52Å; Q956-S1023 VanDerWaalsContact O-CA 3.32Å; Q956-S1023 WeakPolarHBondContact O-CA 3.17Å; Q956-S1023 WeakPolarHBondContact O-CB 3.47Å; Q956-H1024 HydrophobicContact CG-CB 4.45Å; Q956-H1024 PolarHBondContact N-O 2.81Å; Q956-H1024 PolarHBondContact O-N 3.5Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.32Å
957P88.3Confident88.1Confident7 Ų729.2 Ų29.25%0.04515%0.153CC..EExtended strand (participates in β ladder)trans-74.5165.2174.232.7-32.8000110.7S959 W964P957-S959 PolarHBondContact O-N 3.13Å; P957-W964 HydrophobicContact CB-CD2 3.99Å; P957-W964 HydrophobicContact CB-CE3 3.99Å; P957-W964 HydrophobicContact CB-CZ3 4.29Å; P957-W964 HydrophobicContact CG-CD2 4.15Å; P957-W964 HydrophobicContact CG-CG 4.24Å
958E79.9Confident87.5Confident66 Ų6629.2 Ų29.231%0.30815%0.153SC..SBendtrans-72.755.1172.9-71.6-180175.500113.1M761 R1022M761-E958 HydrophobicContact CE-CB 3.83Å; M761-E958 HydrophobicContact CE-CG 3.98Å; E958-R1022 HydrophobicContact CB-CB 4.17Å; E958-R1022 HydrophobicContact CG-CB 4.1Å; E958-R1022 PolarHBondContact N-O 2.93Å; E958-R1022 VanDerWaalsContact N-O 3.09Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.02Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.39Å; E958-R1022 WeakPolarHBondContact OE2-CG 3.46Å
959S83.4Confident87.1Confident35 Ų3533.4 Ų33.425%0.24517%0.168CC..SBendtrans-145145.4175.968.70000112P957 R962P957-S959 PolarHBondContact O-N 3.13Å; S959-R962 PolarHBondContact O-N 3.27Å; S959-R962 VanDerWaalsContact O-N 3.15Å; S959-R962 PolarHBondContact OG-N 3.42Å
960L85.6Confident86.4Confident1 Ų135.7 Ų35.71%0.00518%0.181CC..THydrogen-bonded Turntrans-69.3-32.3179.6-61.8-170.7000112.9W754 C757 D758 M761 L772 Q796 R962W754-L960 HydrophobicContact CD2-CD1 3.89Å; W754-L960 HydrophobicContact CG-CD1 4.16Å; W754-L960 HydrophobicContact CZ2-CB 3.83Å; W754-L960 HydrophobicContact CZ2-CD1 3.91Å; W754-L960 HydrophobicContact CZ2-CG 4.45Å; C757-L960 HydrophobicContact CB-CD1 3.75Å; C757-L960 HydrophobicContact CB-CD2 4.24Å; D758-L960 HydrophobicContact CB-CD1 3.96Å; M761-L960 HydrophobicContact CG-CD2 4.14Å; L772-L960 HydrophobicContact CD2-CD2 3.68Å; Q796-L960 PolarHBondContact NE2-O 2.93Å; Q796-L960 VanDerWaalsContact NE2-O 3.12Å; L960-R962 PolarHBondContact O-N 2.98Å
961D82.9Confident85.7Confident66 Ų6637.6 Ų37.635%0.35319%0.191SC..THydrogen-bonded Turntrans-69.8-14.8174.1-56.6-57.3000112.5Q796 I963Q796-D961 PolarHBondContact NE2-O 3.14Å; D961-I963 HydrophobicContact CB-CD1 4.06Å; D961-I963 HydrophobicContact CB-CG1 4.06Å; D961-I963 PolarHBondContact O-N 3.49Å; D961-I963 VanDerWaalsContact O-N 3.16Å
962R88.1Confident85.3Confident13 Ų1335.9 Ų35.95%0.04918%0.184CC..  trans56.223.2-179.4-58.9179.2171150.9-27.3114.3F800 D802 Q956 S959 L960F800-R962 HydrophobicContact CE2-CB 4.11Å; F800-R962 HydrophobicContact CE2-CG 4.37Å; D802-R962 PolarHBondContact O-NH1 3.11Å; D802-R962 IonicContact OD1-CZ 3.97Å; D802-R962 IonicContact OD1-NH1 2.81Å; D802-R962 PolarHBondContact OD1-NH1 3.14Å; D802-R962 IonicContact OD1-NH2 2.75Å; D802-R962 PolarHBondContact OD1-NH2 2.9Å; D802-R962 IonicContact OD2-NH2 3.63Å; D802-R962 PolarHBondContact OD2-NH2 3.4Å; Q956-R962 HydrophobicContact CB-CG 4.49Å; S959-R962 PolarHBondContact O-N 3.27Å; S959-R962 VanDerWaalsContact O-N 3.15Å; S959-R962 PolarHBondContact OG-N 3.42Å; L960-R962 PolarHBondContact O-N 2.98Å
963I84.9Confident84.9Confident121 Ų12140.6 Ų40.662%0.62120%0.202SC*.PPolyproline II helixtrans-81.8119.2177.3-60.3174.2000108.5D961D961-I963 HydrophobicContact CB-CD1 4.06Å; D961-I963 HydrophobicContact CB-CG1 4.06Å; D961-I963 PolarHBondContact O-N 3.49Å; D961-I963 VanDerWaalsContact O-N 3.16Å
964W85.2Confident84.3Confident32 Ų3246.1 Ų46.112%0.12123%0.225CC..PPolyproline II helixtrans-74.3136.9169-72.397.6000110.2P841 A842 L955 P957 A968 V1017 F1021P841-W964 HydrophobicContact CB-CD2 4.14Å; P841-W964 HydrophobicContact CB-CE3 4.02Å; P841-W964 HydrophobicContact CB-CH2 4.05Å; P841-W964 HydrophobicContact CB-CZ2 4.19Å; P841-W964 HydrophobicContact CB-CZ3 3.97Å; P841-W964 HydrophobicContact CG-CD2 3.88Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.4Å; P841-W964 HydrophobicContact CG-CH2 4.49Å; P841-W964 HydrophobicContact CG-CZ3 3.93Å; A842-W964 HydrophobicContact CB-CZ2 4.25Å; L955-W964 HydrophobicContact CD1-CH2 4.41Å; L955-W964 HydrophobicContact CD1-CZ2 4.37Å; L955-W964 HydrophobicContact CG-CH2 4.48Å; L955-W964 HydrophobicContact CG-CZ2 4.04Å; P957-W964 HydrophobicContact CB-CD2 3.99Å; P957-W964 HydrophobicContact CB-CE3 3.99Å; P957-W964 HydrophobicContact CB-CZ3 4.29Å; P957-W964 HydrophobicContact CG-CD2 4.15Å; P957-W964 HydrophobicContact CG-CG 4.24Å; W964-A968 HydrophobicContact CE3-CB 4.4Å; W964-V1017 HydrophobicContact CH2-CG1 3.7Å; W964-V1017 HydrophobicContact CZ3-CG1 4.13Å; W964-F1021 HydrophobicContact CZ3-CB 4.08Å
965P74.9Confident83.8Confident56 Ų5648.2 Ų48.236%0.36424%0.236SC..PPolyproline II helixtrans-75.4156.5178.133.6-36.6000111.8D967 A968 R969P965-D967 VanDerWaalsContact C-N 3.31Å; P965-D967 VanDerWaalsContact CB-OD1 3.25Å; P965-D967 WeakPolarHBondContact CB-OD1 3.37Å; P965-D967 VanDerWaalsContact CG-OD1 3.25Å; P965-D967 WeakPolarHBondContact CG-OD1 3.21Å; P965-D967 PolarHBondContact O-N 2.88Å; P965-A968 HydrophobicContact CG-CB 3.97Å; P965-A968 PolarHBondContact O-N 2.79Å; P965-R969 PolarHBondContact O-N 3.24Å
966D75.7Confident83.4Confident96 Ų9648.5 Ų48.551%0.51324%0.237SC..Hα-helixtrans-66.1-29.8-173.7-97.1-42.3000114.1R969 N970D966-R969 IonicContact OD1-CZ 2.74Å; D966-R969 IonicContact OD1-NE 3.53Å; D966-R969 PolarHBondContact OD1-NE 3.04Å; D966-R969 IonicContact OD1-NH2 2.69Å; D966-R969 PolarHBondContact OD1-NH2 2.97Å; D966-N970 VanDerWaalsContact O-CB 3.25Å; D966-N970 WeakPolarHBondContact O-CB 3.38Å; D966-N970 PolarHBondContact O-N 2.76Å; D966-N970 PolarHBondContact O-ND2 3.45Å
967D71Confident83.2Confident39 Ų3949.4 Ų49.421%0.20924%0.241CC..Hα-helixtrans-65.5-42.5175.471.6-46.8000110.9P547 P965 N970 L971P547-D967 WeakPolarHBondContact CD-OD2 3.29Å; P965-D967 VanDerWaalsContact C-N 3.31Å; P965-D967 VanDerWaalsContact CB-OD1 3.25Å; P965-D967 WeakPolarHBondContact CB-OD1 3.37Å; P965-D967 VanDerWaalsContact CG-OD1 3.25Å; P965-D967 WeakPolarHBondContact CG-OD1 3.21Å; P965-D967 PolarHBondContact O-N 2.88Å; D967-N970 PolarHBondContact O-N 3Å; D967-L971 VanDerWaalsContact O-CB 3.24Å; D967-L971 WeakPolarHBondContact O-CB 3.49Å; D967-L971 PolarHBondContact O-N 3.09Å
968A80.8Confident82.6Confident0 Ų057.4 Ų57.40%027%0.27CS..Hα-helixtrans-63.9-45.2176.700000112P841 W964 P965 N970 L971 V972 F1021P841-A968 HydrophobicContact CG-CB 3.99Å; W964-A968 HydrophobicContact CE3-CB 4.4Å; P965-A968 HydrophobicContact CG-CB 3.97Å; P965-A968 PolarHBondContact O-N 2.79Å; A968-N970 PolarHBondContact O-N 2.83Å; A968-L971 PolarHBondContact O-N 3.35Å; A968-V972 WeakPolarHBondContact O-CG2 3.44Å; A968-V972 PolarHBondContact O-N 2.9Å; A968-F1021 VanDerWaalsContact CA-CE1 3.46Å; A968-F1021 HydrophobicContact CB-CD1 3.61Å; A968-F1021 HydrophobicContact CB-CD2 4.49Å; A968-F1021 HydrophobicContact CB-CE1 3.42Å; A968-F1021 VanDerWaalsContact CB-CE1 3.42Å; A968-F1021 HydrophobicContact CB-CE2 4.33Å; A968-F1021 HydrophobicContact CB-CG 4.15Å; A968-F1021 HydrophobicContact CB-CZ 3.81Å
969R86.8Confident81.4Confident88 Ų8859 Ų5933%0.33227%0.274SS..Hα-helixtrans-56.6-47.8171.4177.917478.2140.1-9111.7Y839 P965 D966 R973Y839-R969 WeakPolarHBondContact O-CD 3.33Å; P965-R969 PolarHBondContact O-N 3.24Å; D966-R969 IonicContact OD1-CZ 2.74Å; D966-R969 IonicContact OD1-NE 3.53Å; D966-R969 PolarHBondContact OD1-NE 3.04Å; D966-R969 IonicContact OD1-NH2 2.69Å; D966-R969 PolarHBondContact OD1-NH2 2.97Å; R969-R973 WeakPolarHBondContact O-CB 3.33Å; R969-R973 PolarHBondContact O-N 2.86Å
970N81.3Confident79.6Confident62 Ų6261.1 Ų61.133%0.33229%0.285SS..Hα-helixtrans-68.7-37.7-178.9-83.6-62.7000113.2D966 D967 A968 R973 K974D966-N970 VanDerWaalsContact O-CB 3.25Å; D966-N970 WeakPolarHBondContact O-CB 3.38Å; D966-N970 PolarHBondContact O-N 2.76Å; D966-N970 PolarHBondContact O-ND2 3.45Å; D967-N970 PolarHBondContact O-N 3Å; A968-N970 PolarHBondContact O-N 2.83Å; N970-R973 PolarHBondContact O-N 2.97Å; N970-R973 PolarHBondContact OD1-NH2 2.87Å; N970-K974 VanDerWaalsContact O-CB 3.28Å; N970-K974 WeakPolarHBondContact O-CB 3.33Å; N970-K974 PolarHBondContact O-N 2.87Å
971L82.5Confident77.6Confident41 Ų4168.5 Ų68.522%0.21532%0.319CS..Hα-helixtrans-68.7-49.6177.5-167.8160.9000110D967 A968 R973 K974 D975 F1016 F1021D967-L971 VanDerWaalsContact O-CB 3.24Å; D967-L971 WeakPolarHBondContact O-CB 3.49Å; D967-L971 PolarHBondContact O-N 3.09Å; A968-L971 PolarHBondContact O-N 3.35Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 2.87Å; L971-K974 PolarHBondContact O-N 2.87Å; L971-K974 VanDerWaalsContact O-N 3.1Å; L971-D975 HydrophobicContact CD2-CB 3.97Å; L971-D975 HydrophobicContact CG-CB 4.47Å; L971-D975 WeakPolarHBondContact O-CA 3.41Å; L971-D975 WeakPolarHBondContact O-CB 3.33Å; L971-D975 PolarHBondContact O-N 2.9Å; L971-F1016 HydrophobicContact CD2-CE1 3.74Å; L971-F1016 HydrophobicContact CD2-CZ 3.56Å; L971-F1021 HydrophobicContact CB-CZ 4.06Å; L971-F1021 HydrophobicContact CD1-CE1 4.45Å; L971-F1021 HydrophobicContact CD1-CZ 4.14Å; L971-F1021 HydrophobicContact CD2-CZ 3.95Å; L971-F1021 HydrophobicContact CG-CZ 4.27Å
972V88.8Confident75.9Confident0 Ų073.2 Ų73.20%035%0.345CS..Iπ-helixtrans-56.7-43173.5170.30000111.3P841 A968 K974 F976 F977 L1013 F1016 V1017 F1021P841-V972 HydrophobicContact CB-CG2 4.03Å; P841-V972 HydrophobicContact CG-CG2 3.93Å; A968-V972 WeakPolarHBondContact O-CG2 3.44Å; A968-V972 PolarHBondContact O-N 2.9Å; V972-K974 PolarHBondContact O-N 2.91Å; V972-F976 HydrophobicContact CG1-CB 4.36Å; V972-F976 WeakPolarHBondContact O-CA 3.39Å; V972-F976 WeakPolarHBondContact O-CB 3.43Å; V972-F976 PolarHBondContact O-N 2.94Å; V972-F977 HydrophobicContact CG1-CD2 3.95Å; V972-F977 HydrophobicContact CG1-CE2 3.51Å; V972-F977 HydrophobicContact CG1-CZ 4.27Å; V972-F977 PolarHBondContact O-N 3.27Å; V972-F977 VanDerWaalsContact O-N 3.12Å; V972-L1013 HydrophobicContact CG1-CD1 3.78Å; V972-F1016 HydrophobicContact CG2-CD1 4.3Å; V972-F1016 HydrophobicContact CG2-CE1 3.96Å; V972-V1017 HydrophobicContact CG2-CG2 3.91Å; V972-F1021 HydrophobicContact CG2-CE2 3.97Å
973R87.7Confident74.4Confident104 Ų10477.5 Ų77.539%0.39236%0.363SS..Iπ-helixtrans-61.1-37.1175.9-174.6172.869.9147.1-1.3113.7C838 R969 N970 L971 R978C838-R973 HydrophobicContact CB-CB 4.41Å; R969-R973 WeakPolarHBondContact O-CB 3.33Å; R969-R973 PolarHBondContact O-N 2.86Å; N970-R973 PolarHBondContact O-N 2.97Å; N970-R973 PolarHBondContact OD1-NH2 2.87Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 2.87Å; R973-R978 WeakPolarHBondContact O-CB 3.5Å; R973-R978 WeakPolarHBondContact O-CD 3.49Å; R973-R978 WeakPolarHBondContact O-CG 3.44Å; R973-R978 PolarHBondContact O-N 3.41Å
974K82.9Confident73.1Confident141 Ų14181 Ų8161%0.61337%0.369SS*.Iπ-helixtrans-87.4-44.4-177.5-173.8-169.6171.6-163.30112.9N970 L971 V972 R978 R979N970-K974 VanDerWaalsContact O-CB 3.28Å; N970-K974 WeakPolarHBondContact O-CB 3.33Å; N970-K974 PolarHBondContact O-N 2.87Å; L971-K974 PolarHBondContact O-N 2.87Å; L971-K974 VanDerWaalsContact O-N 3.1Å; V972-K974 PolarHBondContact O-N 2.91Å; K974-R978 CarbonylContact O-C 3.28Å; K974-R978 WeakPolarHBondContact O-CB 3.46Å; K974-R979 PolarHBondContact O-N 3.45Å
975D83.2Confident72.1Confident44 Ų4484.4 Ų84.424%0.23539%0.389CS..Iπ-helixtrans-107.5-9.9-164.4-89.268.3000113.9L971 R979 F1016L971-D975 HydrophobicContact CD2-CB 3.97Å; L971-D975 HydrophobicContact CG-CB 4.47Å; L971-D975 WeakPolarHBondContact O-CA 3.41Å; L971-D975 WeakPolarHBondContact O-CB 3.33Å; L971-D975 PolarHBondContact O-N 2.9Å; D975-R979 WeakPolarHBondContact O-CD 3.33Å; D975-R979 WeakPolarHBondContact O-CG 3.25Å; D975-R979 PolarHBondContact O-NE 3.45Å; D975-R979 IonicContact OD2-CZ 2.67Å; D975-R979 IonicContact OD2-NE 2.97Å; D975-R979 PolarHBondContact OD2-NE 2.89Å; D975-R979 IonicContact OD2-NH2 3.01Å; D975-R979 PolarHBondContact OD2-NH2 2.84Å; D975-F1016 HydrophobicContact CB-CE2 4.4Å; D975-F1016 HydrophobicContact CB-CZ 3.88Å
976F87.1Confident72.3Confident6 Ų682.5 Ų82.53%0.02638%0.375CS..Iπ-helixtrans-106.8-66.6163.7-167.3-89.7000110.3V972 R978 R979 R986 F988 N1011 L1013 F1016V972-F976 HydrophobicContact CG1-CB 4.36Å; V972-F976 WeakPolarHBondContact O-CA 3.39Å; V972-F976 WeakPolarHBondContact O-CB 3.43Å; V972-F976 PolarHBondContact O-N 2.94Å; F976-R978 PolarHBondContact O-N 2.85Å; F976-R979 PolarHBondContact O-N 3.02Å; F976-R986 PolarHBondContact O-NH1 3.11Å; F976-F988 HydrophobicContact CD1-CE1 4.37Å; F976-F988 HydrophobicContact CE1-CD1 4.18Å; F976-F988 AromaticContact CE1-CE1 3.99Å; F976-F988 HydrophobicContact CE1-CE1 3.99Å; F976-N1011 HydrophobicContact CE2-CB 4Å; F976-N1011 HydrophobicContact CZ-CB 4.42Å; F976-N1011 WeakPolarHBondContact CZ-O 3.38Å; F976-L1013 HydrophobicContact CB-CD1 4.15Å; F976-L1013 HydrophobicContact CD1-CB 4.36Å; F976-L1013 HydrophobicContact CD1-CD1 3.84Å; F976-L1013 HydrophobicContact CD1-CG 4.46Å; F976-L1013 HydrophobicContact CD2-CB 4.48Å; F976-L1013 HydrophobicContact CD2-CD1 4.01Å; F976-L1013 HydrophobicContact CE1-CB 3.87Å; F976-L1013 HydrophobicContact CE1-CD1 4.24Å; F976-L1013 HydrophobicContact CE1-CD2 4.47Å; F976-L1013 HydrophobicContact CE1-CG 4.41Å; F976-L1013 HydrophobicContact CE2-CB 4.01Å; F976-L1013 HydrophobicContact CE2-CD1 4.39Å; F976-L1013 HydrophobicContact CG-CD1 3.72Å; F976-L1013 HydrophobicContact CZ-CB 3.68Å; F976-F1016 HydrophobicContact CB-CD1 4.32Å; F976-F1016 HydrophobicContact CB-CE1 4.19Å; F976-F1016 HydrophobicContact CB-CE2 4.38Å; F976-F1016 HydrophobicContact CB-CZ 4.21Å; F976-F1016 HydrophobicContact CD2-CB 3.97Å; F976-F1016 HydrophobicContact CD2-CD1 4.35Å; F976-F1016 AromaticContact CD2-CD2 3.9Å; F976-F1016 HydrophobicContact CD2-CD2 3.9Å; F976-F1016 HydrophobicContact CD2-CE2 4.47Å; F976-F1016 AromaticContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CE2-CB 4.33Å
977F85.8Confident72.8Confident19 Ų1981.4 Ų81.48%0.08337%0.367CS..Iπ-helixtrans-67.4-38.8-172.9-62.3-55.6000113.7V835 C838 L844 V972 R986 F988 L1013V835-F977 HydrophobicContact CB-CD1 4.44Å; V835-F977 HydrophobicContact CG2-CD1 3.91Å; V835-F977 HydrophobicContact CG2-CE1 3.77Å; V835-F977 HydrophobicContact CG2-CZ 4.37Å; C838-F977 HydrophobicContact CB-CD2 4.16Å; C838-F977 HydrophobicContact CB-CE2 4.09Å; L844-F977 HydrophobicContact CD1-CE1 4.15Å; L844-F977 HydrophobicContact CD1-CE2 4.33Å; L844-F977 HydrophobicContact CD1-CZ 3.56Å; L844-F977 HydrophobicContact CD2-CE2 3.56Å; L844-F977 HydrophobicContact CD2-CZ 3.63Å; L844-F977 HydrophobicContact CG-CZ 4.27Å; V972-F977 HydrophobicContact CG1-CD2 3.95Å; V972-F977 HydrophobicContact CG1-CE2 3.51Å; V972-F977 HydrophobicContact CG1-CZ 4.27Å; V972-F977 PolarHBondContact O-N 3.27Å; V972-F977 VanDerWaalsContact O-N 3.12Å; F977-R986 PolarHBondContact O-NH1 3.36Å; F977-R986 VanDerWaalsContact O-NH1 3.1Å; F977-F988 HydrophobicContact CB-CZ 4.43Å; F977-F988 HydrophobicContact CD1-CD1 4.21Å; F977-F988 AromaticContact CD1-CE1 3.69Å; F977-F988 HydrophobicContact CD1-CE1 3.69Å; F977-F988 HydrophobicContact CD1-CE2 4.2Å; F977-F988 AromaticContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CE1-CD1 4.33Å; F977-F988 HydrophobicContact CE1-CE1 4.23Å; F977-L1013 HydrophobicContact CE1-CD2 4.15Å; F977-L1013 HydrophobicContact CE2-CD2 4.5Å; F977-L1013 HydrophobicContact CZ-CD2 3.59Å
978R75.2Confident73.9Confident175 Ų17579.8 Ų79.866%0.6636%0.358SS*.THydrogen-bonded Turntrans-97.810.6-178.9-67.8174.1177.7-162.4-2.6114.9R973 K974 F976R973-R978 WeakPolarHBondContact O-CB 3.5Å; R973-R978 WeakPolarHBondContact O-CD 3.49Å; R973-R978 WeakPolarHBondContact O-CG 3.44Å; R973-R978 PolarHBondContact O-N 3.41Å; K974-R978 CarbonylContact O-C 3.28Å; K974-R978 WeakPolarHBondContact O-CB 3.46Å; F976-R978 PolarHBondContact O-N 2.85Å
979R56.2Low74.6Confident101 Ų10182.6 Ų82.638%0.38137%0.371SS..  trans-68.5136.4-179.9-124.3-176.9-143.8159.49.7111.5K974 D975 F976K974-R979 PolarHBondContact O-N 3.45Å; D975-R979 WeakPolarHBondContact O-CD 3.33Å; D975-R979 WeakPolarHBondContact O-CG 3.25Å; D975-R979 PolarHBondContact O-NE 3.45Å; D975-R979 IonicContact OD2-CZ 2.67Å; D975-R979 IonicContact OD2-NE 2.97Å; D975-R979 PolarHBondContact OD2-NE 2.89Å; D975-R979 IonicContact OD2-NH2 3.01Å; D975-R979 PolarHBondContact OD2-NH2 2.84Å; F976-R979 PolarHBondContact O-N 3.02Å
980T45.2Very low75.1Confident79 Ų7978.4 Ų78.449%0.48536%0.355SS..SBendtrans60137.1158.921.50000120.7N982T980-N982 PolarHBondContact O-N 2.88Å
981H43.7Very low75.8Confident156 Ų15679 Ų7972%0.72236%0.36SS*.THydrogen-bonded Turntrans61.238.1160.2-60.5-64.2000120.9K983H981-K983 PolarHBondContact O-N 2.89Å
982N47.3Very low76.5Confident165 Ų16577.2 Ų77.288%0.88235%0.352SS*.THydrogen-bonded Turntrans56.16.7160-89.4-15.8000117.8T980 R984T980-N982 PolarHBondContact O-N 2.88Å; N982-R984 PolarHBondContact O-N 2.81Å
983K55.4Low76.8Confident102 Ų10280.3 Ų80.344%0.44337%0.366SS..  trans-63.792.8179-70.4176.4-177.6172.80109.1H981 N985 R986 E1009H981-K983 PolarHBondContact O-N 2.89Å; K983-N985 PolarHBondContact O-N 3.24Å; K983-N985 VanDerWaalsContact O-N 3.1Å; K983-R986 HydrophobicContact CB-CG 3.84Å; K983-R986 PolarHBondContact O-N 2.77Å; K983-E1009 IonicContact NZ-OE1 3.81Å; K983-E1009 PolarHBondContact NZ-OE1 3.37Å
984R58.2Low77.1Confident195 Ų19576.1 Ų76.174%0.73635%0.353SS*.THydrogen-bonded Turntrans-56.5-29.8-178.2-68.9-178.5175.6176.6-2.5112R857 N982R857-R984 PolarHBondContact NH2-O 2.95Å; N982-R984 PolarHBondContact O-N 2.81Å
985N63.5Low77.6Confident103 Ų10370.2 Ų70.255%0.55133%0.33SS*.THydrogen-bonded Turntrans-114.570.8176.6-59.8-6.2000110.6R857 K983R857-N985 PolarHBondContact NE-OD1 3.29Å; R857-N985 VanDerWaalsContact NE-OD1 3.09Å; R857-N985 PolarHBondContact NH2-OD1 3.23Å; K983-N985 PolarHBondContact O-N 3.24Å; K983-N985 VanDerWaalsContact O-N 3.1Å
986R79.4Confident78.1Confident17 Ų1768.7 Ų68.76%0.06432%0.322CS..  trans-72.1134.5161.5-62.5-173.681.4-149.26.6108.7L834 F976 F977 K983 F988 D1007L834-R986 WeakPolarHBondContact CD1-O 3.25Å; F976-R986 PolarHBondContact O-NH1 3.11Å; F977-R986 PolarHBondContact O-NH1 3.36Å; F977-R986 VanDerWaalsContact O-NH1 3.1Å; K983-R986 HydrophobicContact CB-CG 3.84Å; K983-R986 PolarHBondContact O-N 2.77Å; R986-F988 HydrophobicContact CB-CE2 4.06Å; R986-F988 HydrophobicContact CB-CZ 4.12Å; R986-D1007 IonicContact CZ-OD2 3.64Å; R986-D1007 IonicContact NH1-OD2 2.74Å; R986-D1007 IonicContact NH2-OD2 2.73Å; R986-D1007 PolarHBondContact NH2-OD2 2.97Å
987Q86.3Confident78.1Confident72 Ų7270.8 Ų70.834%0.33633%0.331SS..  trans-101.5162.5168.2-71.8-173.2-9.200110.1D1008Q987-D1008 WeakPolarHBondContact CB-OD1 3.11Å; Q987-D1008 PolarHBondContact N-OD2 3.29Å; Q987-D1008 VanDerWaalsContact O-CG 3.32Å
988F93.9Very high78.2Confident6 Ų673 Ų733%0.02634%0.34CS..EExtended strand (participates in β ladder)trans-135.8150.2176.6-59.8-87.8000108R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007R832-F988 WeakPolarHBondContact CA-O 3.37Å; F833-F988 WeakPolarHBondContact CD1-O 3.41Å; F833-F988 HydrophobicContact CD2-CB 4.03Å; F833-F988 HydrophobicContact CE1-CB 4.35Å; F833-F988 HydrophobicContact CE2-CB 3.55Å; F833-F988 HydrophobicContact CE2-CG 4.45Å; F833-F988 HydrophobicContact CZ-CB 3.74Å; F833-F988 PolarHBondContact N-O 2.76Å; F833-F988 PolarHBondContact O-N 2.94Å; V835-F988 HydrophobicContact CG2-CD2 3.82Å; V835-F988 HydrophobicContact CG2-CE2 4.21Å; V835-F988 HydrophobicContact CG2-CG 4.3Å; F976-F988 HydrophobicContact CD1-CE1 4.37Å; F976-F988 HydrophobicContact CE1-CD1 4.18Å; F976-F988 AromaticContact CE1-CE1 3.99Å; F976-F988 HydrophobicContact CE1-CE1 3.99Å; F977-F988 HydrophobicContact CB-CZ 4.43Å; F977-F988 HydrophobicContact CD1-CD1 4.21Å; F977-F988 AromaticContact CD1-CE1 3.69Å; F977-F988 HydrophobicContact CD1-CE1 3.69Å; F977-F988 HydrophobicContact CD1-CE2 4.2Å; F977-F988 AromaticContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CE1-CD1 4.33Å; F977-F988 HydrophobicContact CE1-CE1 4.23Å; R986-F988 HydrophobicContact CB-CE2 4.06Å; R986-F988 HydrophobicContact CB-CZ 4.12Å; F988-I1005 HydrophobicContact CB-CG2 4.22Å; F988-Y1006 CarbonylContact C-O 3.53Å; F988-Y1006 VanDerWaalsContact CA-O 3.27Å; F988-Y1006 WeakPolarHBondContact CA-O 3.13Å; F988-D1007 HydrophobicContact CD1-CB 3.66Å; F988-D1007 HydrophobicContact CE1-CB 3.58Å
989H95.8Very high79.1Confident59 Ų5965.1 Ų65.127%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-135.9149.5-178.465.3-85.1000112.2L830 I831 R832 Y1006 D1007L830-H989 HydrophobicContact CD1-CB 4.29Å; I831-H989 WeakPolarHBondContact O-CA 3.42Å; I831-H989 WeakPolarHBondContact O-CB 3.4Å; R832-H989 HydrophobicContact CG-CB 4.36Å; H989-Y1006 PolarHBondContact N-O 3.09Å; H989-Y1006 PolarHBondContact O-N 3.42Å; H989-D1007 PolarHBondContact CE1-O 3.26Å
990A97.4Very high81Confident0 Ų060.3 Ų60.30%029%0.293CS..EExtended strand (participates in β ladder)trans-155158.6-177.500000111.1I831 F833 V1002 N1004 I1005I831-A990 HydrophobicContact CG1-CB 4.3Å; I831-A990 VanDerWaalsContact CG1-O 3.31Å; I831-A990 WeakPolarHBondContact CG1-O 3.46Å; I831-A990 PolarHBondContact N-O 3Å; I831-A990 PolarHBondContact O-N 3.42Å; I831-A990 VanDerWaalsContact O-N 3.15Å; F833-A990 HydrophobicContact CE1-CB 3.81Å; F833-A990 HydrophobicContact CZ-CB 4.36Å; A990-V1002 HydrophobicContact CB-CB 3.99Å; A990-V1002 HydrophobicContact CB-CG1 3.66Å; A990-V1002 HydrophobicContact CB-CG2 4.2Å; A990-N1004 VanDerWaalsContact CB-O 3.28Å; A990-N1004 WeakPolarHBondContact CB-O 3.38Å; A990-I1005 HydrophobicContact CB-CG1 4.22Å
991V97.1Very high83.5Confident73 Ų7356.7 Ų56.744%0.44227%0.27SS..EExtended strand (participates in β ladder)trans-106.1112177-177.20000109.8G829 L830 Q993G829-V991 CarbonylContact O-C 3.52Å; G829-V991 WeakPolarHBondContact O-CA 3.11Å; L830-V991 HydrophobicContact CD1-CG2 4.03Å; V991-Q993 PolarHBondContact O-N 2.87Å; V991-Q993 PolarHBondContact O-NE2 3.04Å; V991-Q993 VanDerWaalsContact O-NE2 3.08Å
992V97.1Very high86.1Confident5 Ų549.2 Ų49.23%0.0324%0.235CC..EExtended strand (participates in β ladder)trans-62126.8178.6-179.30000109.8P826 G829 I831 I1000 V1002P826-V992 HydrophobicContact CB-CG2 4.4Å; P826-V992 HydrophobicContact CG-CG2 4.29Å; G829-V992 PolarHBondContact O-N 3.28Å; I831-V992 HydrophobicContact CD1-CG2 3.96Å; I831-V992 HydrophobicContact CG1-CG2 4.03Å; I831-V992 HydrophobicContact CG2-CG2 3.73Å; V992-I1000 HydrophobicContact CB-CG2 4.4Å; V992-I1000 HydrophobicContact CG1-CG2 3.94Å; V992-I1000 HydrophobicContact CG2-CG2 3.71Å; V992-V1002 HydrophobicContact CG2-CG1 4.49Å
993Q95.1Very high88.3Confident64 Ų6449.3 Ų49.330%0.29922%0.223SC..EExtended strand (participates in β ladder)trans-93.1-44.5173.8-58-56-81.500111V991 F1001 R1003V991-Q993 PolarHBondContact O-N 2.87Å; V991-Q993 PolarHBondContact O-NE2 3.04Å; V991-Q993 VanDerWaalsContact O-NE2 3.08Å; Q993-F1001 PolarHBondContact N-O 2.93Å; Q993-R1003 HydrophobicContact CG-CG 3.7Å
994S93.4Very high90.3Very high17 Ų1745 Ų4512%0.11921%0.205CC..EExtended strand (participates in β ladder)trans-156.7156.8-179.9550000109.3F1001 Q1030S994-F1001 PolarHBondContact O-N 3.31Å; S994-Q1030 PolarHBondContact OG-NE2 3.47Å; S994-Q1030 PolarHBondContact OG-OE1 2.77Å
995A94.2Very high92.1Very high16 Ų1635.7 Ų35.713%0.13217%0.17CC..EExtended strand (participates in β ladder)trans-129.9126.4167.100000107.4P821 T999P821-A995 HydrophobicContact CB-CB 3.88Å; P821-A995 HydrophobicContact CG-CB 3.9Å; P821-A995 WeakPolarHBondContact CG-O 3.36Å; A995-T999 WeakPolarHBondContact CA-O 3.3Å
996I92.2Very high93.6Very high12 Ų1234.9 Ų34.96%0.06216%0.16CC..EExtended strand (participates in β ladder)trans-136.6128.3-174.2-52.4172.7000106.8M814 R998 T999 F1001 L1033 M1036 V1037M814-I996 HydrophobicContact CE-CG2 4Å; M814-I996 HydrophobicContact SD-CG2 4Å; I996-R998 PolarHBondContact O-N 2.88Å; I996-T999 PolarHBondContact N-O 2.88Å; I996-T999 WeakPolarHBondContact O-CB 3.31Å; I996-T999 PolarHBondContact O-N 3.37Å; I996-T999 VanDerWaalsContact O-N 3.11Å; I996-F1001 HydrophobicContact CB-CE2 4.21Å; I996-F1001 HydrophobicContact CD1-CE2 4.31Å; I996-F1001 HydrophobicContact CG1-CE2 4.39Å; I996-L1033 HydrophobicContact CD1-CB 3.87Å; I996-M1036 HydrophobicContact CG2-CE 4.34Å; I996-V1037 HydrophobicContact CD1-CG2 4.13Å; I996-V1037 HydrophobicContact CG1-CG2 4.47Å; I996-V1037 HydrophobicContact CG2-CG2 3.64Å
997H87.5Confident94.1Very high50 Ų5034.2 Ų34.223%0.23116%0.158CC..THydrogen-bonded Turntrans50.2-139.6-170.1-164.861.2000111.1M814 E818 V819 P821 T999M814-H997 HydrophobicContact CE-CB 4.17Å; E818-H997 WeakPolarHBondContact CB-ND1 3.27Å; E818-H997 WeakPolarHBondContact O-CA 3.37Å; E818-H997 WeakPolarHBondContact O-CB 3.48Å; E818-H997 PolarHBondContact O-N 2.86Å; E818-H997 PolarHBondContact O-ND1 3.42Å; V819-H997 PolarHBondContact O-N 3.41Å; P821-H997 VanDerWaalsContact CA-O 3.28Å; P821-H997 WeakPolarHBondContact CA-O 3.49Å; P821-H997 WeakPolarHBondContact CB-O 3.36Å; H997-T999 PolarHBondContact O-N 2.92Å
998R88.1Confident94.1Very high67 Ų6734.6 Ų34.625%0.25316%0.162SC..THydrogen-bonded Turntrans-80.416.2178.3-59.9173.4-176-163-0113.7Y825 H904 I996Y825-R998 VanDerWaalsContact CE1-O 3.29Å; Y825-R998 WeakPolarHBondContact CE1-O 3.44Å; Y825-R998 PolarHBondContact OH-O 2.72Å; Y825-R998 VanDerWaalsContact OH-O 3.14Å; H904-R998 PolarHBondContact NE2-NH2 2.76Å; I996-R998 PolarHBondContact O-N 2.88Å
999T94.4Very high93.6Very high9 Ų938.8 Ų38.86%0.05518%0.182CC..EExtended strand (participates in β ladder)trans-120.7135-171.3-39.80000112.6D949 R951 A995 I996 H997 F1001D949-T999 HydrophobicContact CB-CG2 4.48Å; R951-T999 HydrophobicContact CB-CG2 4.35Å; R951-T999 HydrophobicContact CG-CG2 3.72Å; A995-T999 WeakPolarHBondContact CA-O 3.3Å; I996-T999 PolarHBondContact N-O 2.88Å; I996-T999 WeakPolarHBondContact O-CB 3.31Å; I996-T999 PolarHBondContact O-N 3.37Å; I996-T999 VanDerWaalsContact O-N 3.11Å; H997-T999 PolarHBondContact O-N 2.92Å; T999-F1001 HydrophobicContact CG2-CD2 4.42Å; T999-F1001 HydrophobicContact CG2-CE1 4.24Å; T999-F1001 HydrophobicContact CG2-CE2 3.83Å; T999-F1001 HydrophobicContact CG2-CZ 3.74Å
1000I96.7Very high93.2Very high0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-106.2127.7173.6-57.2172.3000108.9Y825 P826 M948 D949 L950 R951 V992Y825-I1000 HydrophobicContact CD1-CD1 3.85Å; Y825-I1000 HydrophobicContact CD1-CG1 3.58Å; Y825-I1000 HydrophobicContact CE1-CD1 4.23Å; Y825-I1000 HydrophobicContact CE1-CG1 3.97Å; P826-I1000 HydrophobicContact CG-CD1 3.98Å; M948-I1000 HydrophobicContact CB-CD1 4.04Å; M948-I1000 HydrophobicContact CG-CD1 4.45Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å; D949-I1000 PolarHBondContact O-N 2.83Å; L950-I1000 WeakPolarHBondContact CA-O 3.42Å; L950-I1000 HydrophobicContact CD1-CB 3.8Å; L950-I1000 HydrophobicContact CD1-CG2 3.61Å; R951-I1000 PolarHBondContact N-O 2.82Å; V992-I1000 HydrophobicContact CB-CG2 4.4Å; V992-I1000 HydrophobicContact CG1-CG2 3.94Å; V992-I1000 HydrophobicContact CG2-CG2 3.71Å
1001F96.9Very high92.8Very high2 Ų242.3 Ų42.31%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-105.6130.9178.9-65.6-86.8000111.7R951 L953 Q993 S994 I996 T999 L1033R951-F1001 HydrophobicContact CB-CD1 4.21Å; R951-F1001 HydrophobicContact CB-CE1 4.26Å; L953-F1001 HydrophobicContact CD1-CB 4.44Å; L953-F1001 HydrophobicContact CD1-CD1 4.09Å; L953-F1001 HydrophobicContact CD1-CG 4.49Å; Q993-F1001 PolarHBondContact N-O 2.93Å; S994-F1001 PolarHBondContact O-N 3.31Å; I996-F1001 HydrophobicContact CB-CE2 4.21Å; I996-F1001 HydrophobicContact CD1-CE2 4.31Å; I996-F1001 HydrophobicContact CG1-CE2 4.39Å; T999-F1001 HydrophobicContact CG2-CD2 4.42Å; T999-F1001 HydrophobicContact CG2-CE1 4.24Å; T999-F1001 HydrophobicContact CG2-CE2 3.83Å; T999-F1001 HydrophobicContact CG2-CZ 3.74Å; F1001-L1033 HydrophobicContact CD1-CD1 4.04Å; F1001-L1033 HydrophobicContact CD2-CD1 4.49Å; F1001-L1033 HydrophobicContact CE1-CD1 3.71Å; F1001-L1033 HydrophobicContact CE2-CD1 4.2Å; F1001-L1033 HydrophobicContact CG-CD1 4.42Å; F1001-L1033 HydrophobicContact CZ-CD1 3.79Å; F1001-L1033 HydrophobicContact CZ-CD2 4.16Å
1002V97.3Very high92.6Very high0 Ų040.9 Ų40.90%021%0.205CC..EExtended strand (participates in β ladder)trans-129152.4178.3-65.60000110.4L950 R951 I952 L953 A990 V992 N1004 I1005L950-V1002 HydrophobicContact CD1-CG1 3.71Å; L950-V1002 HydrophobicContact CD1-CG2 4.09Å; L950-V1002 HydrophobicContact CG-CG2 4.26Å; R951-V1002 WeakPolarHBondContact O-CG2 3.47Å; R951-V1002 PolarHBondContact O-N 2.9Å; I952-V1002 WeakPolarHBondContact CA-O 3.49Å; I952-V1002 HydrophobicContact CG1-CG2 4.49Å; L953-V1002 WeakPolarHBondContact CB-O 3.38Å; L953-V1002 PolarHBondContact N-O 2.99Å; A990-V1002 HydrophobicContact CB-CB 3.99Å; A990-V1002 HydrophobicContact CB-CG1 3.66Å; A990-V1002 HydrophobicContact CB-CG2 4.2Å; V992-V1002 HydrophobicContact CG2-CG1 4.49Å; V1002-N1004 VanDerWaalsContact C-N 3.34Å; V1002-I1005 HydrophobicContact CG2-CD1 4.41Å; V1002-I1005 HydrophobicContact CG2-CG1 3.96Å
1003R94.9Very high92.5Very high167 Ų16740.7 Ų40.763%0.6320%0.204SC*.SBendtrans-71.7-32.3172.6-65.3-169.5-170.1-151.2-2.3112.6Q993Q993-R1003 HydrophobicContact CG-CG 3.7Å
1004N96.2Very high92.4Very high10 Ų1038.6 Ų38.65%0.05319%0.194CC..  trans-161.7167.1-172.8-155.6-4.9000110.7A990 V1002 Y1006 D1012 L1014A990-N1004 VanDerWaalsContact CB-O 3.28Å; A990-N1004 WeakPolarHBondContact CB-O 3.38Å; V1002-N1004 VanDerWaalsContact C-N 3.34Å; N1004-Y1006 HydrophobicContact CB-CE2 4.02Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.27Å; N1004-Y1006 PolarHBondContact ND2-OH 3.46Å; N1004-D1012 PolarHBondContact ND2-OD1 2.8Å; N1004-D1012 PolarHBondContact ND2-OD2 3.17Å; N1004-D1012 PolarHBondContact OD1-OD1 3.2Å; N1004-L1014 HydrophobicContact CB-CB 4.49Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.47Å; N1004-L1014 PolarHBondContact OD1-N 3Å
1005I96.7Very high92.3Very high1 Ų140.1 Ų40.11%0.00521%0.205CC..  trans-129.6132.4174.2-65.9174.7000108.2F833 L844 L950 I952 F988 A990 V1002 L1013F833-I1005 HydrophobicContact CE2-CG2 4.35Å; F833-I1005 HydrophobicContact CZ-CD1 4.15Å; F833-I1005 HydrophobicContact CZ-CG1 4.11Å; F833-I1005 HydrophobicContact CZ-CG2 3.76Å; L844-I1005 HydrophobicContact CD1-CD1 3.52Å; L950-I1005 HydrophobicContact CD2-CD1 3.67Å; L950-I1005 HydrophobicContact CD2-CG1 4.25Å; L950-I1005 HydrophobicContact CG-CD1 4.31Å; I952-I1005 HydrophobicContact CD1-CD1 4.45Å; I952-I1005 HydrophobicContact CG1-CD1 4.25Å; I952-I1005 HydrophobicContact CG1-CG1 4.42Å; F988-I1005 HydrophobicContact CB-CG2 4.22Å; A990-I1005 HydrophobicContact CB-CG1 4.22Å; V1002-I1005 HydrophobicContact CG2-CD1 4.41Å; V1002-I1005 HydrophobicContact CG2-CG1 3.96Å; I1005-L1013 HydrophobicContact CB-CB 4.17Å; I1005-L1013 HydrophobicContact CB-CD2 4.08Å; I1005-L1013 HydrophobicContact CD1-CD2 4.24Å; I1005-L1013 HydrophobicContact CG2-CD2 4.36Å; I1005-L1013 WeakPolarHBondContact O-CB 3.3Å; I1005-L1013 PolarHBondContact O-N 3.22Å
1006Y95.5Very high92.1Very high85 Ų8540 Ų4033%0.33320%0.202SC..EExtended strand (participates in β ladder)trans-118151.9178.1-53.3-79.5000110.8F988 H989 N1004 N1011 D1012F988-Y1006 CarbonylContact C-O 3.53Å; F988-Y1006 VanDerWaalsContact CA-O 3.27Å; F988-Y1006 WeakPolarHBondContact CA-O 3.13Å; H989-Y1006 PolarHBondContact N-O 3.09Å; H989-Y1006 PolarHBondContact O-N 3.42Å; N1004-Y1006 HydrophobicContact CB-CE2 4.02Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.27Å; N1004-Y1006 PolarHBondContact ND2-OH 3.46Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.33Å; Y1006-D1012 HydrophobicContact CD1-CB 4.28Å; Y1006-D1012 HydrophobicContact CE1-CB 4.12Å
1007D90.4Very high92Very high4 Ų439.5 Ų39.52%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-96.8174.8170.27215.9000112.9R986 F988 H989 E1009 G1010 N1011R986-D1007 IonicContact CZ-OD2 3.64Å; R986-D1007 IonicContact NH1-OD2 2.74Å; R986-D1007 IonicContact NH2-OD2 2.73Å; R986-D1007 PolarHBondContact NH2-OD2 2.97Å; F988-D1007 HydrophobicContact CD1-CB 3.66Å; F988-D1007 HydrophobicContact CE1-CB 3.58Å; H989-D1007 PolarHBondContact CE1-O 3.26Å; D1007-E1009 PolarHBondContact O-N 3.49Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.26Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.23Å; D1007-E1009 PolarHBondContact OD1-N 2.91Å; D1007-G1010 PolarHBondContact O-N 2.79Å; D1007-G1010 PolarHBondContact OD1-N 3.2Å; D1007-N1011 PolarHBondContact N-O 2.79Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.42Å; D1007-N1011 PolarHBondContact OD1-N 3.12Å; D1007-N1011 PolarHBondContact OD1-ND2 2.91Å; D1007-N1011 PolarHBondContact OD2-ND2 2.71Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.08Å
1008D84.8Confident92Very high80 Ų8040.5 Ų40.543%0.42821%0.205SC..THydrogen-bonded Turntrans-58.9-13.7179.1-57.7-41.7000114.4Q987Q987-D1008 WeakPolarHBondContact CB-OD1 3.11Å; Q987-D1008 PolarHBondContact N-OD2 3.29Å; Q987-D1008 VanDerWaalsContact O-CG 3.32Å
1009E84.6Confident91.7Very high94 Ų9442.7 Ų42.744%0.43922%0.222SC..THydrogen-bonded Turntrans-104.83.3180-73.8155.8-154.200111.7K983 D1007 N1011K983-E1009 IonicContact NZ-OE1 3.81Å; K983-E1009 PolarHBondContact NZ-OE1 3.37Å; D1007-E1009 PolarHBondContact O-N 3.49Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.26Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.23Å; D1007-E1009 PolarHBondContact OD1-N 2.91Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.43Å
1010G86.1Confident90.9Very high52 Ų5247.2 Ų47.254%0.53624%0.238SC..  trans81.48.6178.900000114.6D1007D1007-G1010 PolarHBondContact O-N 2.79Å; D1007-G1010 PolarHBondContact OD1-N 3.2Å
1011N89.9Confident90.1Very high80 Ų8048.2 Ų48.243%0.42824%0.242SC..  trans-69.4137.8178.9-58.4-84.6000110.8F976 Y1006 D1007 E1009F976-N1011 HydrophobicContact CE2-CB 4Å; F976-N1011 HydrophobicContact CZ-CB 4.42Å; F976-N1011 WeakPolarHBondContact CZ-O 3.38Å; Y1006-N1011 VanDerWaalsContact CA-O 3.31Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.33Å; D1007-N1011 PolarHBondContact N-O 2.79Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.42Å; D1007-N1011 PolarHBondContact OD1-N 3.12Å; D1007-N1011 PolarHBondContact OD1-ND2 2.91Å; D1007-N1011 PolarHBondContact OD2-ND2 2.71Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.08Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.43Å
1012D93.1Very high89.2Confident44 Ų4453.2 Ų53.224%0.23526%0.261CS..BIsolated β-bridgetrans-94.8121.6-175174.8-17.9000111.5N1004 Y1006 L1014 S1015 F1016N1004-D1012 PolarHBondContact ND2-OD1 2.8Å; N1004-D1012 PolarHBondContact ND2-OD2 3.17Å; N1004-D1012 PolarHBondContact OD1-OD1 3.2Å; Y1006-D1012 HydrophobicContact CD1-CB 4.28Å; Y1006-D1012 HydrophobicContact CE1-CB 4.12Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.38Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.32Å; D1012-L1014 PolarHBondContact OD1-N 2.9Å; D1012-S1015 PolarHBondContact OD1-N 3.18Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.32Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.33Å; D1012-S1015 PolarHBondContact OD2-OG 2.94Å; D1012-F1016 WeakPolarHBondContact O-CB 3.42Å; D1012-F1016 PolarHBondContact O-N 3.15Å
1013L94.1Very high88.7Confident1 Ų154.1 Ų54.11%0.00527%0.267CS..Hα-helixtrans-73.9-41177.8-179.655.4000113.4I952 V972 F976 F977 I1005 F1016 V1017I952-L1013 HydrophobicContact CD1-CD2 3.99Å; I952-L1013 HydrophobicContact CD1-CG 4.12Å; V972-L1013 HydrophobicContact CG1-CD1 3.78Å; F976-L1013 HydrophobicContact CB-CD1 4.15Å; F976-L1013 HydrophobicContact CD1-CB 4.36Å; F976-L1013 HydrophobicContact CD1-CD1 3.84Å; F976-L1013 HydrophobicContact CD1-CG 4.46Å; F976-L1013 HydrophobicContact CD2-CB 4.48Å; F976-L1013 HydrophobicContact CD2-CD1 4.01Å; F976-L1013 HydrophobicContact CE1-CB 3.87Å; F976-L1013 HydrophobicContact CE1-CD1 4.24Å; F976-L1013 HydrophobicContact CE1-CD2 4.47Å; F976-L1013 HydrophobicContact CE1-CG 4.41Å; F976-L1013 HydrophobicContact CE2-CB 4.01Å; F976-L1013 HydrophobicContact CE2-CD1 4.39Å; F976-L1013 HydrophobicContact CG-CD1 3.72Å; F976-L1013 HydrophobicContact CZ-CB 3.68Å; F977-L1013 HydrophobicContact CE1-CD2 4.15Å; F977-L1013 HydrophobicContact CE2-CD2 4.5Å; F977-L1013 HydrophobicContact CZ-CD2 3.59Å; I1005-L1013 HydrophobicContact CB-CB 4.17Å; I1005-L1013 HydrophobicContact CB-CD2 4.08Å; I1005-L1013 HydrophobicContact CD1-CD2 4.24Å; I1005-L1013 HydrophobicContact CG2-CD2 4.36Å; I1005-L1013 WeakPolarHBondContact O-CB 3.3Å; I1005-L1013 PolarHBondContact O-N 3.22Å; L1013-F1016 HydrophobicContact CD1-CD1 4.36Å; L1013-F1016 WeakPolarHBondContact O-CB 3.28Å; L1013-F1016 PolarHBondContact O-N 3.43Å; L1013-V1017 HydrophobicContact CD1-CG2 3.89Å; L1013-V1017 HydrophobicContact CG-CG2 4.42Å; L1013-V1017 WeakPolarHBondContact O-CB 3.5Å; L1013-V1017 VanDerWaalsContact O-CG2 3.27Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.42Å; L1013-V1017 PolarHBondContact O-N 3.11Å
1014L93.9Very high88.4Confident19 Ų1949.1 Ų49.110%0.09925%0.251CS..Hα-helixtrans-60.4-49.7178.7176.264.6000110.7I952 L955 N1004 D1012 F1016 V1017 I1018I952-L1014 HydrophobicContact CG2-CD1 4.26Å; L955-L1014 HydrophobicContact CD1-CD1 3.9Å; L955-L1014 HydrophobicContact CD2-CD1 3.87Å; L955-L1014 HydrophobicContact CG-CD1 4.3Å; N1004-L1014 HydrophobicContact CB-CB 4.49Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.47Å; N1004-L1014 PolarHBondContact OD1-N 3Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.38Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.32Å; D1012-L1014 PolarHBondContact OD1-N 2.9Å; L1014-F1016 VanDerWaalsContact C-N 3.35Å; L1014-V1017 PolarHBondContact O-N 3.09Å; L1014-I1018 HydrophobicContact CD1-CD1 3.69Å; L1014-I1018 HydrophobicContact CD1-CG1 4.22Å; L1014-I1018 HydrophobicContact CG-CD1 3.9Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.46Å; L1014-I1018 PolarHBondContact O-N 3.44Å
1015S91.7Very high88.1Confident50 Ų5052.1 Ų52.135%0.3527%0.265SS..Hα-helixtrans-65.9-36.1175.4-62.30000111.9D1012 V1017 N1019D1012-S1015 PolarHBondContact OD1-N 3.18Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.32Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.33Å; D1012-S1015 PolarHBondContact OD2-OG 2.94Å; S1015-V1017 VanDerWaalsContact C-N 3.26Å; S1015-V1017 PolarHBondContact O-N 2.84Å; S1015-N1019 VanDerWaalsContact O-CB 3.3Å; S1015-N1019 WeakPolarHBondContact O-CB 3.43Å; S1015-N1019 VanDerWaalsContact O-CG 3.26Å; S1015-N1019 PolarHBondContact O-N 2.83Å; S1015-N1019 VanDerWaalsContact O-N 3.15Å
1016F89.8Confident87.9Confident14 Ų1452.9 Ų52.96%0.06127%0.269CS..Hα-helixtrans-59.4-38.3172.8176.1-80.7000112.4L971 V972 D975 F976 D1012 L1013 L1014 R1020L971-F1016 HydrophobicContact CD2-CE1 3.74Å; L971-F1016 HydrophobicContact CD2-CZ 3.56Å; V972-F1016 HydrophobicContact CG2-CD1 4.3Å; V972-F1016 HydrophobicContact CG2-CE1 3.96Å; D975-F1016 HydrophobicContact CB-CE2 4.4Å; D975-F1016 HydrophobicContact CB-CZ 3.88Å; F976-F1016 HydrophobicContact CB-CD1 4.32Å; F976-F1016 HydrophobicContact CB-CE1 4.19Å; F976-F1016 HydrophobicContact CB-CE2 4.38Å; F976-F1016 HydrophobicContact CB-CZ 4.21Å; F976-F1016 HydrophobicContact CD2-CB 3.97Å; F976-F1016 HydrophobicContact CD2-CD1 4.35Å; F976-F1016 AromaticContact CD2-CD2 3.9Å; F976-F1016 HydrophobicContact CD2-CD2 3.9Å; F976-F1016 HydrophobicContact CD2-CE2 4.47Å; F976-F1016 AromaticContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CE2-CB 4.33Å; D1012-F1016 WeakPolarHBondContact O-CB 3.42Å; D1012-F1016 PolarHBondContact O-N 3.15Å; L1013-F1016 HydrophobicContact CD1-CD1 4.36Å; L1013-F1016 WeakPolarHBondContact O-CB 3.28Å; L1013-F1016 PolarHBondContact O-N 3.43Å; L1014-F1016 VanDerWaalsContact C-N 3.35Å; F1016-R1020 VanDerWaalsContact CD2-NH1 3.33Å; F1016-R1020 WeakPolarHBondContact O-CB 3.43Å; F1016-R1020 WeakPolarHBondContact O-CD 3.43Å; F1016-R1020 WeakPolarHBondContact O-CG 3.33Å; F1016-R1020 PolarHBondContact O-NH1 2.71Å
1017V90.2Very high87.6Confident0 Ų057.6 Ų57.60%029%0.294CS..Hα-helixtrans-78.2-51.5-178.5168.70000111.7P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021P841-V1017 HydrophobicContact CB-CG1 3.96Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å; L955-V1017 HydrophobicContact CD1-CG1 4.36Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å; W964-V1017 HydrophobicContact CH2-CG1 3.7Å; W964-V1017 HydrophobicContact CZ3-CG1 4.13Å; V972-V1017 HydrophobicContact CG2-CG2 3.91Å; L1013-V1017 HydrophobicContact CD1-CG2 3.89Å; L1013-V1017 HydrophobicContact CG-CG2 4.42Å; L1013-V1017 WeakPolarHBondContact O-CB 3.5Å; L1013-V1017 VanDerWaalsContact O-CG2 3.27Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.42Å; L1013-V1017 PolarHBondContact O-N 3.11Å; L1014-V1017 PolarHBondContact O-N 3.09Å; S1015-V1017 VanDerWaalsContact C-N 3.26Å; S1015-V1017 PolarHBondContact O-N 2.84Å; V1017-N1019 VanDerWaalsContact C-N 3.28Å; V1017-N1019 PolarHBondContact O-N 3.38Å; V1017-R1020 PolarHBondContact O-N 3.43Å; V1017-F1021 HydrophobicContact CB-CD2 4.35Å; V1017-F1021 HydrophobicContact CG1-CD2 4.01Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.43Å; V1017-F1021 PolarHBondContact O-N 3.48Å
1018I87.5Confident87.7Confident72 Ų7260.5 Ų60.537%0.36931%0.314SS..Hα-helixtrans-57.9-43.2-179.4-70.2174000110.5L1014 R1020L1014-I1018 HydrophobicContact CD1-CD1 3.69Å; L1014-I1018 HydrophobicContact CD1-CG1 4.22Å; L1014-I1018 HydrophobicContact CG-CD1 3.9Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.46Å; L1014-I1018 PolarHBondContact O-N 3.44Å; I1018-R1020 PolarHBondContact O-N 2.93Å; I1018-R1020 VanDerWaalsContact O-N 3.09Å
1019N82Confident88.1Confident112 Ų11256.7 Ų56.760%0.59929%0.294SS*.THydrogen-bonded Turntrans-776.6-178.2-60.66.8000113.6S1015 V1017S1015-N1019 VanDerWaalsContact O-CB 3.3Å; S1015-N1019 WeakPolarHBondContact O-CB 3.43Å; S1015-N1019 VanDerWaalsContact O-CG 3.26Å; S1015-N1019 PolarHBondContact O-N 2.83Å; S1015-N1019 VanDerWaalsContact O-N 3.15Å; V1017-N1019 VanDerWaalsContact C-N 3.28Å; V1017-N1019 PolarHBondContact O-N 3.38Å
1020R76.5Confident88.6Confident105 Ų10554 Ų5440%0.39628%0.281SS..THydrogen-bonded Turntrans-134.4-22.6-179-71.3-178.4178.471.510.4115F1016 V1017 I1018F1016-R1020 VanDerWaalsContact CD2-NH1 3.33Å; F1016-R1020 WeakPolarHBondContact O-CB 3.43Å; F1016-R1020 WeakPolarHBondContact O-CD 3.43Å; F1016-R1020 WeakPolarHBondContact O-CG 3.33Å; F1016-R1020 PolarHBondContact O-NH1 2.71Å; V1017-R1020 PolarHBondContact O-N 3.43Å; I1018-R1020 PolarHBondContact O-N 2.93Å; I1018-R1020 VanDerWaalsContact O-N 3.09Å
1021F80.3Confident89Confident21 Ų2157.1 Ų57.19%0.09229%0.285CS..SBendtrans-134.1139.1-173.5-53.6-70.5000111.6W964 A968 L971 V972 V1017 S1023W964-F1021 HydrophobicContact CZ3-CB 4.08Å; A968-F1021 VanDerWaalsContact CA-CE1 3.46Å; A968-F1021 HydrophobicContact CB-CD1 3.61Å; A968-F1021 HydrophobicContact CB-CD2 4.49Å; A968-F1021 HydrophobicContact CB-CE1 3.42Å; A968-F1021 VanDerWaalsContact CB-CE1 3.42Å; A968-F1021 HydrophobicContact CB-CE2 4.33Å; A968-F1021 HydrophobicContact CB-CG 4.15Å; A968-F1021 HydrophobicContact CB-CZ 3.81Å; L971-F1021 HydrophobicContact CB-CZ 4.06Å; L971-F1021 HydrophobicContact CD1-CE1 4.45Å; L971-F1021 HydrophobicContact CD1-CZ 4.14Å; L971-F1021 HydrophobicContact CD2-CZ 3.95Å; L971-F1021 HydrophobicContact CG-CZ 4.27Å; V972-F1021 HydrophobicContact CG2-CE2 3.97Å; V1017-F1021 HydrophobicContact CB-CD2 4.35Å; V1017-F1021 HydrophobicContact CG1-CD2 4.01Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.43Å; V1017-F1021 PolarHBondContact O-N 3.48Å; F1021-S1023 WeakPolarHBondContact O-CB 3.18Å; F1021-S1023 PolarHBondContact O-N 3.47Å; F1021-S1023 PolarHBondContact O-OG 3.27Å
1022R77.9Confident89.2Confident106 Ų10656 Ų5640%0.428%0.276SS..  trans-58.299.5169-75.1-168.7-167.8-158.67.3110.2E958E958-R1022 HydrophobicContact CB-CB 4.17Å; E958-R1022 HydrophobicContact CG-CB 4.1Å; E958-R1022 PolarHBondContact N-O 2.93Å; E958-R1022 VanDerWaalsContact N-O 3.09Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.02Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.39Å; E958-R1022 WeakPolarHBondContact OE2-CG 3.46Å
1023S86.6Confident89.3Confident19 Ų1953.9 Ų53.913%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-150.1155.6-169.7570000110.9Q956 F1021Q956-S1023 CarbonylContact O-C 3.52Å; Q956-S1023 VanDerWaalsContact O-CA 3.32Å; Q956-S1023 WeakPolarHBondContact O-CA 3.17Å; Q956-S1023 WeakPolarHBondContact O-CB 3.47Å; F1021-S1023 WeakPolarHBondContact O-CB 3.18Å; F1021-S1023 PolarHBondContact O-N 3.47Å; F1021-S1023 PolarHBondContact O-OG 3.27Å
1024H88.3Confident89.3Confident63 Ų6356.3 Ų56.329%0.29228%0.278SS..EExtended strand (participates in β ladder)trans-134.3138.8-175.7172.971.7000109.2R767 Q956R767-H1024 WeakPolarHBondContact CD-NE2 3.5Å; R767-H1024 PolarHBondContact NE-CD2 3.35Å; R767-H1024 PolarHBondContact NE-NE2 3.47Å; Q956-H1024 HydrophobicContact CG-CB 4.45Å; Q956-H1024 PolarHBondContact N-O 2.81Å; Q956-H1024 PolarHBondContact O-N 3.5Å
1025Q91.1Very high89.2Confident73 Ų7358 Ų5834%0.34129%0.294SS..EExtended strand (participates in β ladder)trans-103.7113.9173.3-171.2166.224.500109.2E1027Q1025-E1027 PolarHBondContact O-N 3.44Å
1026D90.9Very high89.3Confident16 Ų1655.8 Ų55.89%0.08628%0.278CS..  trans-85.796.7178.4-171.9-28.3000109.4G954 Q956 C1028 C1029 K1032G954-D1026 PolarHBondContact O-N 2.7Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.32Å; D1026-C1028 PolarHBondContact O-N 3.32Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.44Å; D1026-C1028 PolarHBondContact OD1-N 3.05Å; D1026-C1029 HydrophobicContact CB-CB 4.36Å; D1026-C1029 WeakPolarHBondContact O-CB 3.16Å; D1026-C1029 PolarHBondContact O-N 3.14Å; D1026-C1029 PolarHBondContact OD1-N 2.82Å; D1026-K1032 IonicContact OD1-NZ 2.93Å; D1026-K1032 IonicContact OD2-NZ 3.57Å; D1026-K1032 PolarHBondContact OD2-NZ 3.47Å
1027E90.6Very high89.4Confident184 Ų18456.9 Ų56.986%0.8629%0.286SS*.THydrogen-bonded Turntrans-58.3-27.2-179.8-61.2-176165.500112.6Q1025 C1029Q1025-E1027 PolarHBondContact O-N 3.44Å; E1027-C1029 VanDerWaalsContact C-N 3.28Å; E1027-C1029 PolarHBondContact O-N 3.48Å
1028C91.2Very high89.5Confident66 Ų6664.9 Ų64.945%0.44632%0.321SS..THydrogen-bonded Turntrans-81-2.2178.4-660000113.5D1026 Q1030 L1031 K1032D1026-C1028 PolarHBondContact O-N 3.32Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.44Å; D1026-C1028 PolarHBondContact OD1-N 3.05Å; C1028-Q1030 VanDerWaalsContact C-N 3.33Å; C1028-Q1030 PolarHBondContact O-N 2.73Å; C1028-L1031 WeakPolarHBondContact O-CB 3.07Å; C1028-L1031 PolarHBondContact O-N 3.47Å; C1028-K1032 PolarHBondContact O-N 3.01Å; C1028-K1032 VanDerWaalsContact O-N 3.11Å
1029C94.4Very high89.6Confident0 Ų064.3 Ų64.30%032%0.324CS..Hα-helixtrans-55.7-40.5-175.3-176.10000113.9L953 D1026 E1027 L1031 K1032 L1033L953-C1029 HydrophobicContact CD1-CB 4.1Å; L953-C1029 HydrophobicContact CG-CB 4.35Å; D1026-C1029 HydrophobicContact CB-CB 4.36Å; D1026-C1029 WeakPolarHBondContact O-CB 3.16Å; D1026-C1029 PolarHBondContact O-N 3.14Å; D1026-C1029 PolarHBondContact OD1-N 2.82Å; E1027-C1029 VanDerWaalsContact C-N 3.28Å; E1027-C1029 PolarHBondContact O-N 3.48Å; C1029-L1031 PolarHBondContact O-N 2.82Å; C1029-K1032 PolarHBondContact O-N 3.24Å; C1029-L1033 WeakPolarHBondContact O-CG 3.46Å; C1029-L1033 PolarHBondContact O-N 3Å
1030Q94.3Very high90Very high37 Ų3760.1 Ų60.117%0.17330%0.303CS..Hα-helixtrans-64.3-41.1175.9-171.76462.800111.5L953 S994 C1028 K1032 L1033 D1034L953-Q1030 HydrophobicContact CD1-CB 4.42Å; L953-Q1030 HydrophobicContact CD2-CB 4.12Å; S994-Q1030 PolarHBondContact OG-NE2 3.47Å; S994-Q1030 PolarHBondContact OG-OE1 2.77Å; C1028-Q1030 VanDerWaalsContact C-N 3.33Å; C1028-Q1030 PolarHBondContact O-N 2.73Å; Q1030-K1032 VanDerWaalsContact C-N 3.27Å; Q1030-K1032 PolarHBondContact O-N 2.83Å; Q1030-L1033 PolarHBondContact O-N 2.86Å; Q1030-D1034 PolarHBondContact NE2-OD1 3.36Å; Q1030-D1034 WeakPolarHBondContact O-CB 3.49Å; Q1030-D1034 PolarHBondContact O-N 3.33Å
1031L94.8Very high90.5Very high118 Ų11859.4 Ų59.462%0.61830%0.303SS*.Hα-helixtrans-63.5-35.1179.1-59.9175000111.8C1028 C1029 A1035C1028-L1031 WeakPolarHBondContact O-CB 3.07Å; C1028-L1031 PolarHBondContact O-N 3.47Å; C1029-L1031 PolarHBondContact O-N 2.82Å; L1031-A1035 WeakPolarHBondContact O-CB 3.28Å; L1031-A1035 PolarHBondContact O-N 3.49Å
1032K94.6Very high90.7Very high55 Ų5563 Ų6324%0.23932%0.323CS..Hα-helixtrans-68.5-44.3174.3-63.2173.7-179.7-177.60111.9F800 D802 D1026 C1028 C1029 Q1030 A1035 M1036F800-K1032 WeakPolarHBondContact O-CB 3.3Å; F800-K1032 WeakPolarHBondContact O-CD 3.5Å; D802-K1032 HydrophobicContact CB-CD 4.38Å; D802-K1032 WeakPolarHBondContact OD2-CD 3.15Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.45Å; D802-K1032 IonicContact OD2-NZ 3.61Å; D802-K1032 PolarHBondContact OD2-NZ 3.49Å; D1026-K1032 IonicContact OD1-NZ 2.93Å; D1026-K1032 IonicContact OD2-NZ 3.57Å; D1026-K1032 PolarHBondContact OD2-NZ 3.47Å; C1028-K1032 PolarHBondContact O-N 3.01Å; C1028-K1032 VanDerWaalsContact O-N 3.11Å; C1029-K1032 PolarHBondContact O-N 3.24Å; Q1030-K1032 VanDerWaalsContact C-N 3.27Å; Q1030-K1032 PolarHBondContact O-N 2.83Å; K1032-A1035 PolarHBondContact O-N 2.73Å; K1032-M1036 PolarHBondContact O-N 2.83Å
1033L94.6Very high90.7Very high0 Ų059 Ų590%031%0.311CS..Hα-helixtrans-64.7-40175.4-69167.3000111.7L953 I996 F1001 C1029 Q1030 A1035 M1036 V1037L953-L1033 HydrophobicContact CD1-CD1 3.82Å; I996-L1033 HydrophobicContact CD1-CB 3.87Å; F1001-L1033 HydrophobicContact CD1-CD1 4.04Å; F1001-L1033 HydrophobicContact CD2-CD1 4.49Å; F1001-L1033 HydrophobicContact CE1-CD1 3.71Å; F1001-L1033 HydrophobicContact CE2-CD1 4.2Å; F1001-L1033 HydrophobicContact CG-CD1 4.42Å; F1001-L1033 HydrophobicContact CZ-CD1 3.79Å; F1001-L1033 HydrophobicContact CZ-CD2 4.16Å; C1029-L1033 WeakPolarHBondContact O-CG 3.46Å; C1029-L1033 PolarHBondContact O-N 3Å; Q1030-L1033 PolarHBondContact O-N 2.86Å; L1033-A1035 VanDerWaalsContact C-N 3.34Å; L1033-M1036 HydrophobicContact CD2-CE 3.82Å; L1033-M1036 WeakPolarHBondContact O-CB 3.5Å; L1033-M1036 PolarHBondContact O-N 3.04Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.07Å; L1033-V1037 PolarHBondContact O-N 3.04Å
1034D94Very high89.8Confident53 Ų5362.3 Ų62.328%0.28333%0.332SS..Hα-helixtrans-64.4-38.5174.2-66.2-9.2000111.7Q1030 K1038Q1030-D1034 PolarHBondContact NE2-OD1 3.36Å; Q1030-D1034 WeakPolarHBondContact O-CB 3.49Å; Q1030-D1034 PolarHBondContact O-N 3.33Å; D1034-K1038 WeakPolarHBondContact O-CB 3.08Å; D1034-K1038 VanDerWaalsContact O-CD 3.29Å; D1034-K1038 WeakPolarHBondContact O-CD 3.29Å; D1034-K1038 WeakPolarHBondContact O-CG 3.47Å; D1034-K1038 PolarHBondContact O-N 3.28Å
1035A92.9Very high88.7Confident53 Ų5365.5 Ų65.544%0.43834%0.342SS..Hα-helixtrans-66.8-44.7174.900000111.5L1031 K1032 L1033 V1037 K1038 S1039L1031-A1035 WeakPolarHBondContact O-CB 3.28Å; L1031-A1035 PolarHBondContact O-N 3.49Å; K1032-A1035 PolarHBondContact O-N 2.73Å; L1033-A1035 VanDerWaalsContact C-N 3.34Å; A1035-V1037 VanDerWaalsContact C-N 3.35Å; A1035-V1037 PolarHBondContact O-N 3.42Å; A1035-K1038 PolarHBondContact O-N 2.9Å; A1035-S1039 WeakPolarHBondContact O-CB 3.48Å; A1035-S1039 PolarHBondContact O-N 3.34Å; A1035-S1039 PolarHBondContact O-OG 3.12Å
1036M92.3Very high86.5Confident4 Ų471.6 Ų71.62%0.0237%0.373CS..Hα-helixtrans-53.7-50.7172.6178.5-171.765.100111M797 M814 I996 K1032 L1033 K1038 S1039 S1040M797-M1036 HydrophobicContact CE-CB 3.94Å; M797-M1036 HydrophobicContact CE-CG 3.8Å; M797-M1036 HydrophobicContact CE-SD 4.2Å; M797-M1036 HydrophobicContact CG-CG 4.45Å; M797-M1036 HydrophobicContact CG-SD 3.76Å; M814-M1036 HydrophobicContact CB-CG 4.19Å; M814-M1036 HydrophobicContact CE-CE 3.52Å; M814-M1036 HydrophobicContact CE-SD 4.1Å; M814-M1036 HydrophobicContact SD-CE 4.02Å; I996-M1036 HydrophobicContact CG2-CE 4.34Å; K1032-M1036 PolarHBondContact O-N 2.83Å; L1033-M1036 HydrophobicContact CD2-CE 3.82Å; L1033-M1036 WeakPolarHBondContact O-CB 3.5Å; L1033-M1036 PolarHBondContact O-N 3.04Å; M1036-K1038 PolarHBondContact O-N 2.87Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.22Å; M1036-S1039 PolarHBondContact O-N 2.9Å; M1036-S1039 VanDerWaalsContact O-N 3.13Å; M1036-S1039 PolarHBondContact O-OG 3.42Å; M1036-S1040 PolarHBondContact O-N 3.24Å
1037V92.7Very high86.3Confident38 Ų3874.4 Ų74.423%0.2339%0.388CS..Hα-helixtrans-59.2-44.5178163.90000112.1M814 V819 I996 L1033 A1035 S1039 S1040M814-V1037 HydrophobicContact SD-CG2 4.31Å; V819-V1037 HydrophobicContact CG1-CG1 3.63Å; V819-V1037 HydrophobicContact CG1-CG2 4.37Å; V819-V1037 HydrophobicContact CG2-CG1 4.32Å; I996-V1037 HydrophobicContact CD1-CG2 4.13Å; I996-V1037 HydrophobicContact CG1-CG2 4.47Å; I996-V1037 HydrophobicContact CG2-CG2 3.64Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.07Å; L1033-V1037 PolarHBondContact O-N 3.04Å; A1035-V1037 VanDerWaalsContact C-N 3.35Å; A1035-V1037 PolarHBondContact O-N 3.42Å; V1037-S1039 VanDerWaalsContact C-N 3.28Å; V1037-S1039 PolarHBondContact O-N 3.16Å; V1037-S1040 VanDerWaalsContact O-CB 3.29Å; V1037-S1040 WeakPolarHBondContact O-CB 3.16Å; V1037-S1040 PolarHBondContact O-N 2.92Å; V1037-S1040 PolarHBondContact O-OG 2.87Å
1038K92.1Very high86.1Confident168 Ų16868.6 Ų68.673%0.7336%0.363SS*.Hα-helixtrans-65.4-28.5176.5-70.6160.9-174.2162.70113.2D1034 A1035 M1036 S1040D1034-K1038 WeakPolarHBondContact O-CB 3.08Å; D1034-K1038 VanDerWaalsContact O-CD 3.29Å; D1034-K1038 WeakPolarHBondContact O-CD 3.29Å; D1034-K1038 WeakPolarHBondContact O-CG 3.47Å; D1034-K1038 PolarHBondContact O-N 3.28Å; A1035-K1038 PolarHBondContact O-N 2.9Å; M1036-K1038 PolarHBondContact O-N 2.87Å; K1038-S1040 VanDerWaalsContact C-N 3.29Å; K1038-S1040 PolarHBondContact O-N 2.95Å
1039S89.3Confident85.8Confident60 Ų6068.8 Ų68.842%0.4236%0.358SS..THydrogen-bonded Turntrans-83.75176.570.30000114.8A1035 M1036 V1037A1035-S1039 WeakPolarHBondContact O-CB 3.48Å; A1035-S1039 PolarHBondContact O-N 3.34Å; A1035-S1039 PolarHBondContact O-OG 3.12Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.22Å; M1036-S1039 PolarHBondContact O-N 2.9Å; M1036-S1039 VanDerWaalsContact O-N 3.13Å; M1036-S1039 PolarHBondContact O-OG 3.42Å; V1037-S1039 VanDerWaalsContact C-N 3.28Å; V1037-S1039 PolarHBondContact O-N 3.16Å
1040S90.1Very high85.3Confident23 Ų2372.8 Ų72.816%0.16138%0.379CS..  trans-63134.6-175.2560000113.3M814 M1036 V1037 K1038M814-S1040 VanDerWaalsContact O-CA 3.24Å; M814-S1040 WeakPolarHBondContact O-CA 3.37Å; M814-S1040 WeakPolarHBondContact O-CB 3.47Å; M1036-S1040 PolarHBondContact O-N 3.24Å; V1037-S1040 VanDerWaalsContact O-CB 3.29Å; V1037-S1040 WeakPolarHBondContact O-CB 3.16Å; V1037-S1040 PolarHBondContact O-N 2.92Å; V1037-S1040 PolarHBondContact O-OG 2.87Å; K1038-S1040 VanDerWaalsContact C-N 3.29Å; K1038-S1040 PolarHBondContact O-N 2.95Å
1041K87.4Confident84.8Confident90 Ų9075.1 Ų75.139%0.39139%0.392SS..BIsolated β-bridgetrans-109.4161.5-177.3-57.5-170.2-172.9-177.80110.4E784 V813 M814 W815 R816E784-K1041 IonicContact OE1-NZ 2.68Å; E784-K1041 PolarHBondContact OE1-NZ 3.02Å; V813-K1041 HydrophobicContact CG1-CB 3.98Å; V813-K1041 HydrophobicContact CG1-CD 3.94Å; V813-K1041 HydrophobicContact CG1-CG 3.74Å; M814-K1041 PolarHBondContact O-N 2.84Å; M814-K1041 VanDerWaalsContact O-N 3.15Å; W815-K1041 CarbonylContact C-O 3.53Å; W815-K1041 VanDerWaalsContact CA-O 3.23Å; W815-K1041 WeakPolarHBondContact CA-O 3.47Å; R816-K1041 PolarHBondContact N-O 3.04Å
1042D84.6Confident84.1Confident97 Ų9772.2 Ų72.252%0.51938%0.377SS..  trans-67.1151.7172.2-61.8-58.4000110.7R816 P1044R816-D1042 WeakPolarHBondContact CD-OD1 3.28Å; R816-D1042 IonicContact CZ-OD1 3.66Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.29Å; R816-D1042 IonicContact CZ-OD2 3.95Å; R816-D1042 IonicContact NE-OD1 3.68Å; R816-D1042 IonicContact NH1-OD1 2.76Å; R816-D1042 PolarHBondContact NH1-OD1 3.02Å; R816-D1042 IonicContact NH1-OD2 3.52Å; R816-D1042 PolarHBondContact NH1-OD2 2.72Å; R816-D1042 IonicContact NH2-OD2 3.18Å; R816-D1042 PolarHBondContact NH2-OD2 3.12Å; D1042-P1044 WeakPolarHBondContact O-CD 3.41Å
1043C77.6Confident83.3Confident23 Ų2373.4 Ų73.416%0.15539%0.387CS..  trans-75.9122.5175.4-176.40000109.3W815 Y1045 M1046W815-C1043 HydrophobicContact CB-CB 4.41Å; W815-C1043 HydrophobicContact CD2-CB 3.94Å; W815-C1043 HydrophobicContact CE3-CB 4.37Å; W815-C1043 HydrophobicContact CG-CB 3.96Å; C1043-Y1045 PolarHBondContact O-N 3.46Å; C1043-M1046 HydrophobicContact CB-CG 4.14Å; C1043-M1046 HydrophobicContact CB-SD 4.35Å
1044P68.8Low82.5Confident88 Ų8879.1 Ų79.157%0.57142%0.417SS*.THydrogen-bonded Turntrans-77.715-178.234.4-37.4000113.5D1042D1042-P1044 WeakPolarHBondContact O-CD 3.41Å
1045Y64.1Low81.5Confident130 Ų13081.3 Ų81.351%0.5143%0.428SS..THydrogen-bonded Turntrans-133.121.8-176.7-51.4-61.2000112.5W815 C1043W815-Y1045 HydrophobicContact CZ2-CD2 4.45Å; C1043-Y1045 PolarHBondContact O-N 3.46Å
1046M46.3Very low80.5Confident201 Ų20183.8 Ų83.899%0.9943%0.427SS*.  trans-100.30167.7-78.5-174.2169.500110.5D817 C1043D817-M1046 HydrophobicContact CB-CE 4.19Å; C1043-M1046 HydrophobicContact CB-CG 4.14Å; C1043-M1046 HydrophobicContact CB-SD 4.35Å

Retrieved 1,046 of 1,046 residues in 591.4 ms (Link to these results)

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