A0A075BLM0_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BLM0, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,044 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
1M34.2Very low49.2Very low153 Ų153103.8 Ų103.875%0.75458%0.576SS**  0122.60-80.8178.5167.700108E144M1-E144 VanDerWaalsContact CE-OE1 3.27Å; M1-E144 WeakPolarHBondContact CE-OE1 3.47Å; M1-E144 WeakPolarHBondContact CE-OE2 3.34Å
2E24.8Very low51.6Low178 Ų178104.5 Ų104.583%0.83257%0.569SS**  trans-70.7159.7158.7-67178.7140.800109.2I4E2-I4 PolarHBondContact O-N 3.32Å
3P30.1Very low54Low127 Ų127104.2 Ų104.283%0.82556%0.559SS**  trans-60.2136.1179.524.4-34.6000111.6G5P3-G5 PolarHBondContact O-N 3.48Å
4I40.2Very low55.8Low71 Ų71100.9 Ų100.936%0.36455%0.545SS..  trans-73.996.8-179.3-56.1178.8000108.8E2E2-I4 PolarHBondContact O-N 3.32Å
5G35.1Very low57Low39 Ų39101.1 Ų101.140%0.40255%0.55SS..THydrogen-bonded Turntrans-55.1150.8167.800000112.2P3P3-G5 PolarHBondContact O-N 3.48Å
6D41.3Very low57.4Low151 Ų15199.2 Ų99.281%0.80755%0.546SS*.THydrogen-bonded Turntrans83.1-15.7174.8-48-24.8000118
7L47.8Very low57.7Low56 Ų5698.2 Ų98.229%0.29356%0.564SS.*  trans-137.399.3157.4-81.8104.1000110.7V9 F35 H38L7-V9 VanDerWaalsContact C-N 3.26Å; L7-V9 PolarHBondContact O-N 2.89Å; L7-F35 HydrophobicContact CD2-CB 4.5Å; L7-H38 HydrophobicContact CD1-CB 4.11Å
8Q58Low58Low192 Ų19296.8 Ų96.890%0.89758%0.575SS**  trans-72.380171.7-71.9-170.1-4.100111.2
9V71.6Confident58.7Low20 Ų2094.3 Ų94.312%0.12156%0.561CS.*  trans-87.8122.4166.9176.20000108.8L7 S11 A24 P26 F35L7-V9 VanDerWaalsContact C-N 3.26Å; L7-V9 PolarHBondContact O-N 2.89Å; V9-S11 PolarHBondContact O-N 3.16Å; V9-S11 PolarHBondContact O-OG 3.43Å; V9-S11 VanDerWaalsContact O-OG 3.13Å; V9-A24 HydrophobicContact CG1-CB 3.96Å; V9-P26 HydrophobicContact CG1-CB 4.35Å; V9-P26 HydrophobicContact CG1-CG 3.91Å; V9-P26 HydrophobicContact CG2-CB 4.5Å; V9-F35 HydrophobicContact CB-CD2 4.19Å; V9-F35 HydrophobicContact CB-CE2 4.18Å; V9-F35 HydrophobicContact CG2-CB 4.23Å; V9-F35 HydrophobicContact CG2-CD2 3.57Å; V9-F35 HydrophobicContact CG2-CE2 4.07Å; V9-F35 HydrophobicContact CG2-CG 3.94Å
10P78.2Confident59.6Low76 Ų7692.4 Ų92.449%0.49455%0.55SS..  trans-50.9124.8171-26.334.4000110.5S25P10-S25 PolarHBondContact O-N 3.41Å
11S80.5Confident60.7Low79 Ų7988.4 Ų88.455%0.55253%0.526SS*.EExtended strand (participates in β ladder)trans-150.2145.8-176.344.10000112.3V9 Y23V9-S11 PolarHBondContact O-N 3.16Å; V9-S11 PolarHBondContact O-OG 3.43Å; V9-S11 VanDerWaalsContact O-OG 3.13Å; S11-Y23 CarbonylContact C-O 3.57Å; S11-Y23 WeakPolarHBondContact CA-O 3.47Å; S11-Y23 WeakPolarHBondContact CB-O 3.41Å
12F77.6Confident63.2Low112 Ų11281.9 Ų81.949%0.49149%0.494SS..EExtended strand (participates in β ladder)trans-139.9156.6179.863.1-85000109.9V14 Y23F12-V14 HydrophobicContact CD2-CG2 3.73Å; F12-V14 HydrophobicContact CE2-CG2 3.63Å; F12-Y23 HydrophobicContact CD2-CD2 4.29Å; F12-Y23 VanDerWaalsContact CE1-CB 3.49Å; F12-Y23 HydrophobicContact CE1-CG 4.23Å; F12-Y23 AromaticContact CE2-CD2 3.71Å; F12-Y23 HydrophobicContact CE2-CD2 3.71Å; F12-Y23 AromaticContact CE2-CG 3.83Å; F12-Y23 HydrophobicContact CE2-CG 3.83Å; F12-Y23 VanDerWaalsContact CZ-CB 3.44Å; F12-Y23 HydrophobicContact CZ-CD1 4.26Å; F12-Y23 HydrophobicContact CZ-CD2 4.04Å; F12-Y23 AromaticContact CZ-CG 3.65Å; F12-Y23 HydrophobicContact CZ-CG 3.65Å; F12-Y23 PolarHBondContact N-O 2.99Å; F12-Y23 PolarHBondContact O-N 3.2Å
13K82.3Confident66Low101 Ų10175.6 Ų75.644%0.43946%0.463SS..EExtended strand (participates in β ladder)trans-114.1134.5178.8-67.4-169.1-178.7-112.90111.1T20 F21 T22 E144K13-T20 HydrophobicContact CB-CG2 4.29Å; K13-T20 HydrophobicContact CD-CG2 4.06Å; K13-F21 CarbonylContact C-O 3.52Å; K13-F21 VanDerWaalsContact CA-O 3.25Å; K13-F21 WeakPolarHBondContact CA-O 3.22Å; K13-T22 WeakPolarHBondContact CE-OG1 3.41Å; K13-T22 HydrophobicContact CG-CG2 3.98Å; K13-T22 PolarHBondContact NZ-OG1 3.5Å; K13-E144 IonicContact NZ-OE1 2.81Å; K13-E144 PolarHBondContact NZ-OE1 2.94Å
14V79.6Confident68.6Low58 Ų5869.6 Ų69.635%0.35242%0.424SS..EExtended strand (participates in β ladder)trans-123132176.5-176.80000108F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.73Å; F12-V14 HydrophobicContact CE2-CG2 3.63Å; V14-F21 PolarHBondContact N-O 3.28Å; V14-F21 PolarHBondContact O-N 3.35Å; V14-Y23 HydrophobicContact CB-CD2 4.48Å; V14-Y23 HydrophobicContact CB-CE2 4.12Å; V14-Y23 HydrophobicContact CG2-CD2 4Å; V14-Y23 HydrophobicContact CG2-CE2 3.96Å
15V73.7Confident70.7Confident103 Ų10367.5 Ų67.562%0.62442%0.416SS*.EExtended strand (participates in β ladder)trans-100.2122.4172.6-177.20000108.4T19 T20V15-T19 WeakPolarHBondContact CA-O 3.31Å; V15-T20 HydrophobicContact CG2-CG2 4.47Å
16S64Low73Confident71 Ų7165.8 Ų65.850%0.49740%0.397SS..EExtended strand (participates in β ladder)trans-140.8134.9177.1-173.60000110G18 T19S16-G18 PolarHBondContact O-N 2.92Å; S16-G18 VanDerWaalsContact O-N 3.12Å; S16-T19 PolarHBondContact N-O 3.02Å; S16-T19 PolarHBondContact O-N 2.65Å
17G61.3Low74.6Confident82 Ų8266 Ų6685%0.84539%0.391SS*.THydrogen-bonded Turntrans56.727-177.500000114.6T19G17-T19 PolarHBondContact O-N 2.93Å
18G63.8Low76Confident74 Ų7465.7 Ų65.776%0.76339%0.394SS*.THydrogen-bonded Turntrans77.9-4.1-173.300000115.3S16S16-G18 PolarHBondContact O-N 2.92Å; S16-G18 VanDerWaalsContact O-N 3.12Å
19T71.4Confident76.9Confident49 Ų4958.5 Ų58.530%0.30137%0.372SS..EExtended strand (participates in β ladder)trans-96.8139.4177.3-560000110.5V15 S16 G17 F21 M145V15-T19 WeakPolarHBondContact CA-O 3.31Å; S16-T19 PolarHBondContact N-O 3.02Å; S16-T19 PolarHBondContact O-N 2.65Å; G17-T19 PolarHBondContact O-N 2.93Å; T19-F21 HydrophobicContact CG2-CE2 3.95Å; T19-F21 HydrophobicContact CG2-CZ 4.02Å; T19-M145 HydrophobicContact CG2-CB 4.39Å; T19-M145 HydrophobicContact CG2-CE 4.2Å; T19-M145 HydrophobicContact CG2-CG 3.42Å; T19-M145 VanDerWaalsContact CG2-CG 3.42Å
20T76.6Confident77.2Confident56 Ų5661.3 Ų61.334%0.34439%0.39SS..EExtended strand (participates in β ladder)trans-96114.9176.7-57.60000110.3K13 V15 M145K13-T20 HydrophobicContact CB-CG2 4.29Å; K13-T20 HydrophobicContact CD-CG2 4.06Å; V15-T20 HydrophobicContact CG2-CG2 4.47Å; T20-M145 PolarHBondContact O-N 2.92Å
21F82.3Confident77.2Confident9 Ų959 Ų594%0.03938%0.378CS..EExtended strand (participates in β ladder)trans-94.9126172.8-64.3-90.3000109.9K13 V14 T19 Y23 F129 L133 M145 V147K13-F21 CarbonylContact C-O 3.52Å; K13-F21 VanDerWaalsContact CA-O 3.25Å; K13-F21 WeakPolarHBondContact CA-O 3.22Å; V14-F21 PolarHBondContact N-O 3.28Å; V14-F21 PolarHBondContact O-N 3.35Å; T19-F21 HydrophobicContact CG2-CE2 3.95Å; T19-F21 HydrophobicContact CG2-CZ 4.02Å; F21-Y23 HydrophobicContact CB-CD2 4.17Å; F21-Y23 HydrophobicContact CB-CE2 3.59Å; F21-Y23 HydrophobicContact CG-CE2 4.45Å; F21-F129 HydrophobicContact CE1-CZ 4.29Å; F21-L133 HydrophobicContact CE1-CD1 4.38Å; F21-L133 HydrophobicContact CE1-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CD1 3.85Å; F21-L133 HydrophobicContact CZ-CD2 3.64Å; F21-L133 HydrophobicContact CZ-CG 4.41Å; F21-M145 HydrophobicContact CD1-CB 3.39Å; F21-M145 HydrophobicContact CD1-CG 3.94Å; F21-M145 HydrophobicContact CE1-CB 3.61Å; F21-M145 HydrophobicContact CE1-CG 3.61Å; F21-M145 HydrophobicContact CE1-SD 4.34Å; F21-M145 HydrophobicContact CG-CB 4.07Å; F21-M145 HydrophobicContact CZ-CB 4.45Å; F21-M145 HydrophobicContact CZ-CG 4.1Å; F21-V147 HydrophobicContact CD1-CG2 4.16Å
22T86.7Confident77.3Confident15 Ų1556 Ų569%0.09236%0.356CS..EExtended strand (participates in β ladder)trans-98112.6167.2-45.10000107.5K13 M145 L146 V147K13-T22 WeakPolarHBondContact CE-OG1 3.41Å; K13-T22 HydrophobicContact CG-CG2 3.98Å; K13-T22 PolarHBondContact NZ-OG1 3.5Å; T22-M145 PolarHBondContact N-O 3.08Å; T22-L146 HydrophobicContact CG2-CD1 4.2Å; T22-L146 CarbonylContact O-C 3.52Å; T22-L146 WeakPolarHBondContact O-CA 3.43Å; T22-V147 PolarHBondContact O-N 3.38Å
23Y83.4Confident77.8Confident47 Ų4752 Ų5218%0.18434%0.34CS..EExtended strand (participates in β ladder)trans-87.5133.4170.2-70.3-96.6000108.3S11 F12 V14 F21 V147 T149S11-Y23 CarbonylContact C-O 3.57Å; S11-Y23 WeakPolarHBondContact CA-O 3.47Å; S11-Y23 WeakPolarHBondContact CB-O 3.41Å; F12-Y23 HydrophobicContact CD2-CD2 4.29Å; F12-Y23 VanDerWaalsContact CE1-CB 3.49Å; F12-Y23 HydrophobicContact CE1-CG 4.23Å; F12-Y23 AromaticContact CE2-CD2 3.71Å; F12-Y23 HydrophobicContact CE2-CD2 3.71Å; F12-Y23 AromaticContact CE2-CG 3.83Å; F12-Y23 HydrophobicContact CE2-CG 3.83Å; F12-Y23 VanDerWaalsContact CZ-CB 3.44Å; F12-Y23 HydrophobicContact CZ-CD1 4.26Å; F12-Y23 HydrophobicContact CZ-CD2 4.04Å; F12-Y23 AromaticContact CZ-CG 3.65Å; F12-Y23 HydrophobicContact CZ-CG 3.65Å; F12-Y23 PolarHBondContact N-O 2.99Å; F12-Y23 PolarHBondContact O-N 3.2Å; V14-Y23 HydrophobicContact CB-CD2 4.48Å; V14-Y23 HydrophobicContact CB-CE2 4.12Å; V14-Y23 HydrophobicContact CG2-CD2 4Å; V14-Y23 HydrophobicContact CG2-CE2 3.96Å; F21-Y23 HydrophobicContact CB-CD2 4.17Å; F21-Y23 HydrophobicContact CB-CE2 3.59Å; F21-Y23 HydrophobicContact CG-CE2 4.45Å; Y23-V147 HydrophobicContact CD1-CB 3.7Å; Y23-V147 HydrophobicContact CD1-CG1 3.64Å; Y23-V147 HydrophobicContact CD1-CG2 4.28Å; Y23-V147 HydrophobicContact CE1-CB 3.83Å; Y23-V147 HydrophobicContact CE1-CG1 3.62Å; Y23-V147 HydrophobicContact CE1-CG2 3.96Å; Y23-V147 HydrophobicContact CG-CB 4.25Å; Y23-T149 HydrophobicContact CD1-CG2 4.29Å
24A85.8Confident77.8Confident1 Ų150.8 Ų50.81%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-127.6133.6175.100000108.7V9 P26 F35 L146 V147 I148 T149V9-A24 HydrophobicContact CG1-CB 3.96Å; A24-P26 WeakPolarHBondContact O-CD 3.45Å; A24-F35 HydrophobicContact CB-CE1 3.75Å; A24-F35 HydrophobicContact CB-CZ 3.93Å; A24-L146 HydrophobicContact CB-CD1 4.15Å; A24-V147 PolarHBondContact N-O 3.1Å; A24-I148 WeakPolarHBondContact O-CA 3.35Å; A24-T149 PolarHBondContact O-N 2.99Å; A24-T149 PolarHBondContact O-OG1 2.9Å
25S83.4Confident78.1Confident27 Ų2748.6 Ų48.619%0.18932%0.324CS..  trans-12280.3-173.9-50.60000111.2P10 T149P10-S25 PolarHBondContact O-N 3.41Å; S25-T149 WeakPolarHBondContact CA-O 3.49Å; S25-T149 WeakPolarHBondContact CA-OG1 3.42Å; S25-T149 WeakPolarHBondContact CB-OG1 3.28Å; S25-T149 PolarHBondContact OG-OG1 3.07Å
26P83.3Confident78.8Confident2 Ų243.9 Ų43.91%0.01330%0.295CS..  trans-70.2144.3178.2-15.531.7000111.3V9 A24 S28 A31 S32 F35 I148 T149V9-P26 HydrophobicContact CG1-CB 4.35Å; V9-P26 HydrophobicContact CG1-CG 3.91Å; V9-P26 HydrophobicContact CG2-CB 4.5Å; A24-P26 WeakPolarHBondContact O-CD 3.45Å; P26-S28 PolarHBondContact O-N 3.45Å; P26-A31 HydrophobicContact CB-CB 4.18Å; P26-S32 WeakPolarHBondContact CB-OG 3.45Å; P26-S32 WeakPolarHBondContact CG-OG 3.38Å; P26-F35 HydrophobicContact CG-CD1 4.28Å; P26-I148 HydrophobicContact CG-CG2 4.06Å; P26-T149 WeakPolarHBondContact CD-O 3.4Å
27K74.6Confident79.8Confident156 Ų15640.5 Ų40.568%0.67827%0.272SS*.SBendtrans-65.2-11.4-170.2-58.3-173.4179.7-1740115.6
28S77.2Confident80.9Confident49 Ų4938.7 Ų38.734%0.34324%0.241SC..SBendtrans-165.2162.1179.366.50000111.3P26 A31 S32P26-S28 PolarHBondContact O-N 3.45Å; S28-A31 WeakPolarHBondContact O-CB 3.41Å; S28-A31 PolarHBondContact O-N 3.5Å; S28-A31 PolarHBondContact OG-N 2.92Å; S28-S32 PolarHBondContact O-N 3.18Å; S28-S32 PolarHBondContact O-OG 3Å
29G76.7Confident81.9Confident42 Ų4235.8 Ų35.843%0.43321%0.209SC..Hα-helixtrans-51.6-46.7175.700000114.7S32 L33G29-S32 WeakPolarHBondContact O-CB 3.3Å; G29-S32 PolarHBondContact O-N 2.86Å; G29-L33 PolarHBondContact O-N 3.19Å
30P78.8Confident82.5Confident78 Ų7834.5 Ų34.551%0.50620%0.2SC..Hα-helixtrans-59.6-44.9172.2-26.736.2000113.1S32 L33 D34P30-S32 VanDerWaalsContact C-N 3.26Å; P30-S32 PolarHBondContact O-N 2.83Å; P30-L33 PolarHBondContact O-N 2.84Å; P30-D34 PolarHBondContact O-N 3.28Å
31A78.5Confident82.6Confident29 Ų2938.7 Ų38.724%0.2421%0.21CC..Hα-helixtrans-63-31.9177.800000112.5P26 S28 D34 F35P26-A31 HydrophobicContact CB-CB 4.18Å; S28-A31 WeakPolarHBondContact O-CB 3.41Å; S28-A31 PolarHBondContact O-N 3.5Å; S28-A31 PolarHBondContact OG-N 2.92Å; A31-D34 PolarHBondContact O-N 3.47Å; A31-F35 VanDerWaalsContact O-CB 3.22Å; A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 PolarHBondContact O-N 2.8Å
32S82.6Confident82.1Confident15 Ų1544.1 Ų44.111%0.10523%0.233CC..Hα-helixtrans-63.5-41.2171.7-64.70000112.8P26 S28 G29 P30 L36P26-S32 WeakPolarHBondContact CB-OG 3.45Å; P26-S32 WeakPolarHBondContact CG-OG 3.38Å; S28-S32 PolarHBondContact O-N 3.18Å; S28-S32 PolarHBondContact O-OG 3Å; G29-S32 WeakPolarHBondContact O-CB 3.3Å; G29-S32 PolarHBondContact O-N 2.86Å; P30-S32 VanDerWaalsContact C-N 3.26Å; P30-S32 PolarHBondContact O-N 2.83Å; S32-L36 WeakPolarHBondContact O-CB 3.32Å; S32-L36 PolarHBondContact O-N 3.01Å
33L87.5Confident81.2Confident27 Ų2746 Ų4614%0.14124%0.238CC..Hα-helixtrans-72.7-35178-66.2165000112G29 P30 A37 L63 E66G29-L33 PolarHBondContact O-N 3.19Å; P30-L33 PolarHBondContact O-N 2.84Å; L33-A37 VanDerWaalsContact O-CB 3.31Å; L33-A37 WeakPolarHBondContact O-CB 3.48Å; L33-A37 PolarHBondContact O-N 3.32Å; L33-L63 HydrophobicContact CD2-CD1 3.69Å; L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 3.96Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.43Å; L33-E66 HydrophobicContact CD2-CB 3.95Å; L33-E66 HydrophobicContact CD2-CG 4.49Å
34D83.3Confident79.7Confident76 Ų7650.4 Ų50.441%0.40626%0.261SS..Hα-helixtrans-71.1-43.1176.7-60.4-20.1000111.4P30 A31 A37 H38 R70P30-D34 PolarHBondContact O-N 3.28Å; A31-D34 PolarHBondContact O-N 3.47Å; D34-A37 PolarHBondContact O-N 2.78Å; D34-H38 WeakPolarHBondContact O-CB 3.27Å; D34-H38 PolarHBondContact O-N 3.22Å; D34-R70 IonicContact OD1-CZ 3.03Å; D34-R70 IonicContact OD1-NE 3.12Å; D34-R70 PolarHBondContact OD1-NE 3.06Å; D34-R70 IonicContact OD1-NH2 3.01Å; D34-R70 PolarHBondContact OD1-NH2 3.01Å
35F85.4Confident78.2Confident13 Ų1353.2 Ų53.26%0.05728%0.284CS..Hα-helixtrans-59.8-45.8170.9171.4-108.3000111.7L7 V9 A24 P26 A31 H38 T39 L146 I148L7-F35 HydrophobicContact CD2-CB 4.5Å; V9-F35 HydrophobicContact CB-CD2 4.19Å; V9-F35 HydrophobicContact CB-CE2 4.18Å; V9-F35 HydrophobicContact CG2-CB 4.23Å; V9-F35 HydrophobicContact CG2-CD2 3.57Å; V9-F35 HydrophobicContact CG2-CE2 4.07Å; V9-F35 HydrophobicContact CG2-CG 3.94Å; A24-F35 HydrophobicContact CB-CE1 3.75Å; A24-F35 HydrophobicContact CB-CZ 3.93Å; P26-F35 HydrophobicContact CG-CD1 4.28Å; A31-F35 VanDerWaalsContact O-CB 3.22Å; A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 PolarHBondContact O-N 2.8Å; F35-H38 PolarHBondContact O-N 3.41Å; F35-T39 PolarHBondContact O-N 2.98Å; F35-T39 PolarHBondContact O-OG1 3.5Å; F35-L146 HydrophobicContact CE1-CD2 4.3Å; F35-I148 HydrophobicContact CD1-CD1 4.11Å; F35-I148 HydrophobicContact CE1-CD1 4.33Å; F35-I148 HydrophobicContact CE1-CG1 4.38Å
36L88.1Confident76.7Confident3 Ų358 Ų582%0.01631%0.307CS..Hα-helixtrans-62.2-45.4177.7-177.260000111.9S32 H38 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 WeakPolarHBondContact O-CB 3.32Å; S32-L36 PolarHBondContact O-N 3.01Å; L36-H38 VanDerWaalsContact C-N 3.33Å; L36-H38 PolarHBondContact O-N 3.37Å; L36-T39 PolarHBondContact O-N 3.48Å; L36-L40 HydrophobicContact CD1-CD1 4.2Å; L36-L40 HydrophobicContact CD1-CG 4.44Å; L36-L40 HydrophobicContact CG-CD1 4.07Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.24Å; L36-L40 PolarHBondContact O-N 2.88Å; L36-L52 HydrophobicContact CD1-CD2 3.76Å; L36-L52 HydrophobicContact CD2-CD2 4.06Å; L36-L52 HydrophobicContact CG-CD2 4.29Å; L36-L63 HydrophobicContact CD2-CD1 3.73Å; L36-L67 HydrophobicContact CD2-CD1 4.29Å; L36-L67 HydrophobicContact CD2-CD2 4.24Å; L36-L67 HydrophobicContact CG-CD2 4.19Å; L36-I119 HydrophobicContact CD1-CD1 3.62Å; L36-I119 HydrophobicContact CD1-CG2 3.84Å; L36-T121 HydrophobicContact CD2-CG2 3.77Å; L36-I148 HydrophobicContact CB-CD1 4.16Å; L36-I148 HydrophobicContact CD1-CD1 3.99Å; L36-I148 HydrophobicContact CG-CD1 4.49Å
37A86.3Confident75.4Confident1 Ų163.5 Ų63.51%0.00834%0.336CS..Hα-helixtrans-62.5-39.8175.200000111.8L33 D34 L40 R41 L67 R70 V72L33-A37 VanDerWaalsContact O-CB 3.31Å; L33-A37 WeakPolarHBondContact O-CB 3.48Å; L33-A37 PolarHBondContact O-N 3.32Å; D34-A37 PolarHBondContact O-N 2.78Å; A37-L40 PolarHBondContact O-N 2.84Å; A37-R41 WeakPolarHBondContact O-CB 3.27Å; A37-R41 WeakPolarHBondContact O-CG 3.27Å; A37-R41 PolarHBondContact O-N 3Å; A37-L67 HydrophobicContact CB-CD2 4.11Å; A37-R70 HydrophobicContact CB-CB 3.93Å; A37-R70 HydrophobicContact CB-CG 4.49Å; A37-V72 HydrophobicContact CB-CG2 3.88Å
38H83.3Confident75.2Confident43 Ų4359.1 Ų59.120%0.19932%0.317CS..Hα-helixtrans-62-47.2174-175.8101.9000112L7 D34 F35 L36 L40 R41 K42L7-H38 HydrophobicContact CD1-CB 4.11Å; D34-H38 WeakPolarHBondContact O-CB 3.27Å; D34-H38 PolarHBondContact O-N 3.22Å; F35-H38 PolarHBondContact O-N 3.41Å; L36-H38 VanDerWaalsContact C-N 3.33Å; L36-H38 PolarHBondContact O-N 3.37Å; H38-L40 VanDerWaalsContact C-N 3.3Å; H38-L40 PolarHBondContact O-N 3.38Å; H38-R41 PolarHBondContact O-N 3.48Å; H38-K42 WeakPolarHBondContact NE2-CD 3.48Å; H38-K42 VanDerWaalsContact O-CB 3.29Å; H38-K42 WeakPolarHBondContact O-CB 3.31Å; H38-K42 PolarHBondContact O-N 3.08Å
39T84.1Confident75.4Confident13 Ų1359.1 Ų59.18%0.0831%0.311CS..Hα-helixtrans-58.7-41176.6-65.90000111.9F35 L36 R43 L117 I119 L146F35-T39 PolarHBondContact O-N 2.98Å; F35-T39 PolarHBondContact O-OG1 3.5Å; L36-T39 PolarHBondContact O-N 3.48Å; T39-R43 PolarHBondContact O-N 2.84Å; T39-L117 HydrophobicContact CG2-CD2 4.34Å; T39-I119 HydrophobicContact CG2-CD1 4.48Å; T39-L146 HydrophobicContact CG2-CD2 4.28Å
40L84.6Confident76Confident22 Ų2257.5 Ų57.512%0.11529%0.293CS..Hα-helixtrans-75.3-24.1178.9-67.2170.8000114L36 A37 H38 T50 L52 L67 V72 A99 I119L36-L40 HydrophobicContact CD1-CD1 4.2Å; L36-L40 HydrophobicContact CD1-CG 4.44Å; L36-L40 HydrophobicContact CG-CD1 4.07Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.24Å; L36-L40 PolarHBondContact O-N 2.88Å; A37-L40 PolarHBondContact O-N 2.84Å; H38-L40 VanDerWaalsContact C-N 3.3Å; H38-L40 PolarHBondContact O-N 3.38Å; L40-T50 HydrophobicContact CD2-CG2 3.72Å; L40-L52 HydrophobicContact CD1-CD1 4.01Å; L40-L52 HydrophobicContact CD1-CD2 4.21Å; L40-L67 HydrophobicContact CD1-CD1 3.91Å; L40-L67 HydrophobicContact CD1-CD2 4.16Å; L40-V72 HydrophobicContact CB-CG1 3.78Å; L40-V72 HydrophobicContact CD1-CG1 3.86Å; L40-V72 HydrophobicContact CG-CG1 4.46Å; L40-A99 HydrophobicContact CD2-CB 3.92Å; L40-I119 HydrophobicContact CD2-CD1 4.21Å
41R79.6Confident76.5Confident145 Ų14553.8 Ų53.855%0.54727%0.269SS..Hα-helixtrans-86.4-27.3173.5-68.8-168-139.5118.5-9.5113.6A37 H38 R70 V72A37-R41 WeakPolarHBondContact O-CB 3.27Å; A37-R41 WeakPolarHBondContact O-CG 3.27Å; A37-R41 PolarHBondContact O-N 3Å; H38-R41 PolarHBondContact O-N 3.48Å; R41-R70 PolarHBondContact NE-O 3.02Å; R41-R70 PolarHBondContact NH2-O 3.4Å; R41-V72 HydrophobicContact CG-CG2 3.85Å
42K71.9Confident77.2Confident123 Ų12352.4 Ų52.454%0.53526%0.257SS..Hα-helixtrans-82.7-21.2-176.5-172.1164-176.8168.10113.5H38H38-K42 WeakPolarHBondContact NE2-CD 3.48Å; H38-K42 VanDerWaalsContact O-CB 3.29Å; H38-K42 WeakPolarHBondContact O-CB 3.31Å; H38-K42 PolarHBondContact O-N 3.08Å
43R66.7Low77.6Confident54 Ų5451.7 Ų51.720%0.20425%0.252CS..SBendtrans-90.4133.7171.1-70.1168.5176.4-102.812.5109.2T39 A45 E48 E144T39-R43 PolarHBondContact O-N 2.84Å; R43-A45 PolarHBondContact O-N 3.1Å; R43-A45 VanDerWaalsContact O-N 3.14Å; R43-E48 WeakPolarHBondContact CB-OE2 3.36Å; R43-E48 WeakPolarHBondContact CD-OE2 3.19Å; R43-E48 WeakPolarHBondContact CG-OE2 3.45Å; R43-E48 IonicContact CZ-OE2 2.71Å; R43-E48 IonicContact NE-OE2 3.14Å; R43-E48 IonicContact NH1-OE1 3.97Å; R43-E48 PolarHBondContact NH1-OE1 2.85Å; R43-E48 IonicContact NH1-OE2 3.93Å; R43-E48 PolarHBondContact NH1-OE2 2.99Å; R43-E144 IonicContact CZ-OE2 2.69Å; R43-E144 IonicContact NH2-OE2 2.8Å; R43-E144 PolarHBondContact NH2-OE2 3.14Å
44E52.9Low77.7Confident139 Ų13950.5 Ų50.565%0.6525%0.246SC*.  trans-69.8112.7-178.7-69.7-168.3-176.700110.9N46 I47 E48E44-N46 PolarHBondContact O-N 3.33Å; E44-I47 HydrophobicContact CB-CB 4.5Å; E44-I47 HydrophobicContact CB-CD1 4.34Å; E44-I47 HydrophobicContact CB-CG1 4.32Å; E44-I47 PolarHBondContact O-N 3.32Å; E44-I47 WeakPolarHBondContact OE2-CD1 3.06Å; E44-E48 PolarHBondContact O-N 2.84Å
45A53.2Low77.9Confident60 Ų6049.7 Ų49.750%0.49624%0.24SC..THydrogen-bonded Turntrans-55.6-24.8-176.400000114R43 I47 N97R43-A45 PolarHBondContact O-N 3.1Å; R43-A45 VanDerWaalsContact O-N 3.14Å; A45-I47 VanDerWaalsContact C-N 3.34Å; A45-N97 WeakPolarHBondContact O-CB 3.36Å
46N51.6Low77.9Confident128 Ų12853.7 Ų53.768%0.68426%0.259SS*.THydrogen-bonded Turntrans-80.7-7178.1-68.4-26000114.6E44 N97E44-N46 PolarHBondContact O-N 3.33Å; N46-N97 PolarHBondContact OD1-ND2 2.61Å
47I57.6Low77.8Confident118 Ų11855.6 Ų55.661%0.60527%0.269SS*.THydrogen-bonded Turntrans-120.6-38.3-173.6-56-176.5000112.1E44 A45E44-I47 HydrophobicContact CB-CB 4.5Å; E44-I47 HydrophobicContact CB-CD1 4.34Å; E44-I47 HydrophobicContact CB-CG1 4.32Å; E44-I47 PolarHBondContact O-N 3.32Å; E44-I47 WeakPolarHBondContact OE2-CD1 3.06Å; A45-I47 VanDerWaalsContact C-N 3.34Å
48E68.9Low77.5Confident63 Ų6361.6 Ų61.629%0.29430%0.295SS..  trans-111.8111.1-174.2-66-168.7153.700114.3R43 E44 T50 N116R43-E48 WeakPolarHBondContact CB-OE2 3.36Å; R43-E48 WeakPolarHBondContact CD-OE2 3.19Å; R43-E48 WeakPolarHBondContact CG-OE2 3.45Å; R43-E48 IonicContact CZ-OE2 2.71Å; R43-E48 IonicContact NE-OE2 3.14Å; R43-E48 IonicContact NH1-OE1 3.97Å; R43-E48 PolarHBondContact NH1-OE1 2.85Å; R43-E48 IonicContact NH1-OE2 3.93Å; R43-E48 PolarHBondContact NH1-OE2 2.99Å; E44-E48 PolarHBondContact O-N 2.84Å; E48-T50 PolarHBondContact O-N 3.11Å; E48-N116 HydrophobicContact CB-CB 4.18Å; E48-N116 HydrophobicContact CG-CB 4.37Å
49K82.7Confident77.7Confident49 Ų4960.9 Ų60.921%0.21329%0.292CS..  trans-71.8109.2174.1-70.2172.5-170.9165.10110.2W91 S92 E114 A115 N116 L117K49-W91 HydrophobicContact CB-CH2 3.77Å; K49-W91 HydrophobicContact CB-CZ2 3.86Å; K49-W91 HydrophobicContact CB-CZ3 4.47Å; K49-W91 HydrophobicContact CG-CZ2 4.47Å; K49-S92 PolarHBondContact NZ-O 3.38Å; K49-E114 WeakPolarHBondContact CD-O 3.46Å; K49-A115 CarbonylContact O-C 3.57Å; K49-N116 PolarHBondContact N-OD1 2.78Å; K49-N116 PolarHBondContact O-N 3.41Å; K49-L117 PolarHBondContact O-N 2.92Å
50T87.9Confident77.8Confident8 Ų860.2 Ų60.25%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-109.6132.7-177-59.30000112.6L40 E48 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.72Å; E48-T50 PolarHBondContact O-N 3.11Å; T50-A99 HydrophobicContact CG2-CB 4.37Å; T50-A99 WeakPolarHBondContact O-CA 3.33Å; T50-L100 PolarHBondContact O-N 2.98Å; T50-L117 WeakPolarHBondContact CA-O 3Å; T50-L117 HydrophobicContact CG2-CB 4.18Å; T50-L117 HydrophobicContact CG2-CD2 3.85Å; T50-L117 HydrophobicContact CG2-CG 4.09Å; T50-I119 HydrophobicContact CG2-CD1 3.93Å; T50-I119 HydrophobicContact CG2-CG1 4.18Å
51I90.3Very high77.9Confident0 Ų064.2 Ų64.20%031%0.306CS..EExtended strand (participates in β ladder)trans-107.9140.5173.5-59.4178000110.1I53 W91 L100 L102 L110 V113 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.31Å; I51-I53 HydrophobicContact CG2-CG1 3.81Å; I51-W91 HydrophobicContact CD1-CH2 4.01Å; I51-W91 HydrophobicContact CD1-CZ3 4.34Å; I51-W91 HydrophobicContact CG1-CH2 3.56Å; I51-W91 HydrophobicContact CG1-CZ2 4.13Å; I51-W91 HydrophobicContact CG1-CZ3 4.32Å; I51-L100 CarbonylContact C-O 3.58Å; I51-L100 WeakPolarHBondContact CA-O 3.38Å; I51-L102 HydrophobicContact CG2-CD2 3.74Å; I51-L102 HydrophobicContact CG2-CG 4.24Å; I51-L110 HydrophobicContact CD1-CD2 3.96Å; I51-V113 HydrophobicContact CD1-CG2 4.19Å; I51-A115 HydrophobicContact CD1-CB 3.65Å; I51-A115 HydrophobicContact CG1-CB 3.98Å; I51-L117 PolarHBondContact N-O 3.16Å; I51-V118 HydrophobicContact CB-CG2 4.33Å; I51-I119 PolarHBondContact O-N 3.49Å
52L92.1Very high78.3Confident0 Ų065 Ų650%031%0.309CS..EExtended strand (participates in β ladder)trans-120.6117.1179.1-71.1152.8000108.6L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD1-CD2 3.76Å; L36-L52 HydrophobicContact CD2-CD2 4.06Å; L36-L52 HydrophobicContact CG-CD2 4.29Å; L40-L52 HydrophobicContact CD1-CD1 4.01Å; L40-L52 HydrophobicContact CD1-CD2 4.21Å; L52-L63 HydrophobicContact CB-CD2 4.36Å; L52-L67 HydrophobicContact CD1-CD1 4.17Å; L52-T74 HydrophobicContact CD1-CG2 4.14Å; L52-A99 HydrophobicContact CD1-CB 3.7Å; L52-L100 PolarHBondContact N-O 2.97Å; L52-I101 HydrophobicContact CB-CB 4.3Å; L52-I101 HydrophobicContact CB-CG1 3.82Å; L52-I101 HydrophobicContact CD1-CD1 4.35Å; L52-I101 HydrophobicContact CD1-CG1 3.58Å; L52-I101 HydrophobicContact CG-CG1 4.33Å; L52-I101 WeakPolarHBondContact O-CA 3.4Å; L52-L102 PolarHBondContact O-N 3.14Å; L52-I119 HydrophobicContact CD2-CB 4.05Å; L52-I119 HydrophobicContact CD2-CD1 4.04Å; L52-I119 HydrophobicContact CD2-CG1 4.48Å; L52-I119 HydrophobicContact CD2-CG2 4.45Å; L52-T121 HydrophobicContact CD2-CG2 4.06Å
53I91.1Very high79Confident0 Ų059.7 Ų59.70%029%0.287CS..EExtended strand (participates in β ladder)trans-114.1117.5-172.9-50.8179000110.8I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.31Å; I51-I53 HydrophobicContact CG2-CG1 3.81Å; I53-L102 WeakPolarHBondContact CA-O 2.58Å; I53-L102 HydrophobicContact CG1-CD1 4.18Å; I53-L102 HydrophobicContact CG2-CD1 4.31Å; I53-L107 HydrophobicContact CD1-CD2 4.19Å; I53-V118 HydrophobicContact CD1-CG1 3.47Å; I53-V118 VanDerWaalsContact CD1-CG1 3.47Å; I53-V118 HydrophobicContact CG1-CG1 4.14Å; I53-I119 PolarHBondContact N-O 2.84Å; I53-T121 PolarHBondContact O-N 2.95Å; I53-T121 PolarHBondContact O-OG1 3.3Å; I53-T121 VanDerWaalsContact O-OG1 3.11Å; I53-L136 HydrophobicContact CD1-CD1 3.75Å; I53-L136 HydrophobicContact CD1-CD2 3.92Å; I53-L136 HydrophobicContact CD1-CG 4.35Å
54C90.6Very high80.2Confident2 Ų261.1 Ų61.11%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-100.9166.5168.4-54.90000110.7E59 A60 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.77Å; C54-A60 HydrophobicContact CB-CB 4.15Å; C54-L102 PolarHBondContact N-O 3.09Å; C54-C103 CarbonylContact O-C 3.43Å; C54-C103 VanDerWaalsContact O-CA 3.27Å; C54-C103 WeakPolarHBondContact O-CA 3.43Å; C54-D104 PolarHBondContact O-N 3.49Å; C54-D104 VanDerWaalsContact O-N 3.16Å; C54-T121 PolarHBondContact SG-OG1 2.88Å; C54-T122 WeakPolarHBondContact CA-OG1 3.44Å
55Q87.9Confident81.8Confident59 Ų5960.2 Ų60.228%0.27629%0.288SS..SBendtrans-78.7-48.9173.4-168.8-179.130.300110.5E59 D104 T122 P124Q55-E59 PolarHBondContact N-OE2 3.39Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.4Å; Q55-D104 PolarHBondContact O-N 2.88Å; Q55-T122 PolarHBondContact N-OG1 3.27Å; Q55-P124 HydrophobicContact CG-CB 4.25Å
56Q85.5Confident83.5Confident98 Ų9858.8 Ų58.846%0.45827%0.272SS..SBendtrans-118156.6-174.2-55.7-171.554.200113.5F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.31Å; Q56-F58 HydrophobicContact CB-CD1 3.82Å; Q56-F58 HydrophobicContact CB-CE1 3.76Å; Q56-F58 HydrophobicContact CG-CE1 4.24Å; Q56-F58 PolarHBondContact O-N 3.31Å; Q56-E59 HydrophobicContact CB-CG 4.39Å; Q56-E59 VanDerWaalsContact CB-OE1 3.31Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.4Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.43Å; Q56-E59 PolarHBondContact N-OE1 3.24Å; Q56-E59 PolarHBondContact N-OE2 3.46Å; Q56-E59 WeakPolarHBondContact O-CB 3.44Å; Q56-E59 PolarHBondContact O-N 3.16Å; Q56-A60 PolarHBondContact O-N 3.46Å; Q56-A60 VanDerWaalsContact O-N 3.17Å
57N84.3Confident85.1Confident43 Ų4352.7 Ų52.723%0.2324%0.239CC..Hα-helixtrans-63.5-33.3-178.9-179.870.5000113.2E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.31Å; N57-E59 PolarHBondContact O-N 3.11Å; N57-A60 WeakPolarHBondContact O-CB 3.32Å; N57-A60 PolarHBondContact O-N 3.23Å; N57-E61 PolarHBondContact ND2-OE1 3.35Å; N57-E61 WeakPolarHBondContact O-CG 3.04Å; N57-E61 PolarHBondContact O-N 3.17Å; N57-P79 HydrophobicContact CB-CG 4.07Å; N57-P79 WeakPolarHBondContact OD1-CD 3.28Å
58F81.3Confident86.2Confident126 Ų12650 Ų5055%0.55323%0.234SC*.Hα-helixtrans-68.4-32.2177.780.1-98.8000112.1Q56 R62Q56-F58 VanDerWaalsContact C-N 3.31Å; Q56-F58 HydrophobicContact CB-CD1 3.82Å; Q56-F58 HydrophobicContact CB-CE1 3.76Å; Q56-F58 HydrophobicContact CG-CE1 4.24Å; Q56-F58 PolarHBondContact O-N 3.31Å; F58-R62 VanDerWaalsContact O-CB 3.29Å; F58-R62 WeakPolarHBondContact O-CB 3.49Å; F58-R62 PolarHBondContact O-N 3.24Å
59E86.4Confident86.8Confident28 Ų2851.6 Ų51.613%0.13124%0.242CC..Hα-helixtrans-65.1-43.8171.6-63.6159.5-139.300110C54 Q55 Q56 N57 R62 L63 T122C54-E59 HydrophobicContact CB-CB 3.77Å; Q55-E59 PolarHBondContact N-OE2 3.39Å; Q56-E59 HydrophobicContact CB-CG 4.39Å; Q56-E59 VanDerWaalsContact CB-OE1 3.31Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.4Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.43Å; Q56-E59 PolarHBondContact N-OE1 3.24Å; Q56-E59 PolarHBondContact N-OE2 3.46Å; Q56-E59 WeakPolarHBondContact O-CB 3.44Å; Q56-E59 PolarHBondContact O-N 3.16Å; N57-E59 VanDerWaalsContact C-N 3.31Å; N57-E59 PolarHBondContact O-N 3.11Å; E59-R62 PolarHBondContact O-N 3.45Å; E59-L63 WeakPolarHBondContact O-CB 3.45Å; E59-L63 PolarHBondContact O-N 3.48Å; E59-T122 WeakPolarHBondContact OE2-CB 3.36Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.28Å; E59-T122 PolarHBondContact OE2-OG1 3.31Å
60A87Confident87Confident0 Ų051.1 Ų51.10%024%0.238CC..Hα-helixtrans-65.1-40.117900000112.6C54 Q56 N57 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.15Å; Q56-A60 PolarHBondContact O-N 3.46Å; Q56-A60 VanDerWaalsContact O-N 3.17Å; N57-A60 WeakPolarHBondContact O-CB 3.32Å; N57-A60 PolarHBondContact O-N 3.23Å; A60-K64 WeakPolarHBondContact O-CB 3.49Å; A60-K64 PolarHBondContact O-N 3.38Å; A60-K64 VanDerWaalsContact O-N 3.1Å; A60-L76 HydrophobicContact CB-CD1 3.52Å; A60-I101 HydrophobicContact CB-CG2 3.8Å
61E86.1Confident86.6Confident105 Ų10557.3 Ų57.349%0.49127%0.271SS..Hα-helixtrans-65.3-44.4171.7-75.6179.4-166.400112.2N57 K64 F65 L76N57-E61 PolarHBondContact ND2-OE1 3.35Å; N57-E61 WeakPolarHBondContact O-CG 3.04Å; N57-E61 PolarHBondContact O-N 3.17Å; E61-K64 PolarHBondContact O-N 3.37Å; E61-F65 PolarHBondContact O-N 2.8Å; E61-L76 HydrophobicContact CB-CD2 4.36Å; E61-L76 HydrophobicContact CG-CD2 3.5Å; E61-L76 VanDerWaalsContact CG-CD2 3.5Å
62R87.5Confident86.2Confident162 Ų16257.9 Ų57.961%0.61128%0.275SS*.Hα-helixtrans-62.8-47.4175.3-179.1179.7175.8-172.3-1.9111.5F58 E59 K64 F65 E66F58-R62 VanDerWaalsContact O-CB 3.29Å; F58-R62 WeakPolarHBondContact O-CB 3.49Å; F58-R62 PolarHBondContact O-N 3.24Å; E59-R62 PolarHBondContact O-N 3.45Å; R62-K64 VanDerWaalsContact C-N 3.3Å; R62-K64 PolarHBondContact O-N 3.31Å; R62-F65 WeakPolarHBondContact O-CA 3.47Å; R62-F65 WeakPolarHBondContact O-CB 3.35Å; R62-F65 PolarHBondContact O-N 3.15Å; R62-E66 HydrophobicContact CG-CG 3.96Å; R62-E66 IonicContact CZ-OE1 3.06Å; R62-E66 IonicContact NE-OE1 2.72Å; R62-E66 PolarHBondContact NE-OE1 3.4Å; R62-E66 IonicContact NH2-OE1 3.34Å; R62-E66 PolarHBondContact NH2-OE1 3.28Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.39Å; R62-E66 PolarHBondContact O-N 3.2Å
63L88.1Confident85.6Confident12 Ų1263.6 Ų63.66%0.06331%0.306CS..Hα-helixtrans-59-42.4-179.8-179.365.1000111.3L33 L36 L52 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.69Å; L36-L63 HydrophobicContact CD2-CD1 3.73Å; L52-L63 HydrophobicContact CB-CD2 4.36Å; E59-L63 WeakPolarHBondContact O-CB 3.45Å; E59-L63 PolarHBondContact O-N 3.48Å; L63-F65 VanDerWaalsContact C-N 3.29Å; L63-F65 PolarHBondContact O-N 3.18Å; L63-E66 PolarHBondContact O-N 3.34Å; L63-L67 HydrophobicContact CD1-CD1 4.01Å; L63-L67 HydrophobicContact CD1-CG 4.14Å; L63-L67 HydrophobicContact CG-CD1 3.96Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 WeakPolarHBondContact O-CB 3.43Å; L63-L67 WeakPolarHBondContact O-CG 3.38Å; L63-L67 PolarHBondContact O-N 3.01Å; L63-I101 HydrophobicContact CD2-CD1 4.29Å; L63-I101 HydrophobicContact CD2-CG1 4.4Å; L63-I101 HydrophobicContact CD2-CG2 4.11Å; L63-I101 HydrophobicContact CG-CD1 4.19Å; L63-T121 HydrophobicContact CD2-CG2 3.86Å
64K90.8Very high85.5Confident84 Ų8464.1 Ų64.137%0.36531%0.308SS..Hα-helixtrans-58.7-41.9174.7-163.1-160.4-169.1174.10111.9A60 E61 R62 A68 T74 L76 I101A60-K64 WeakPolarHBondContact O-CB 3.49Å; A60-K64 PolarHBondContact O-N 3.38Å; A60-K64 VanDerWaalsContact O-N 3.1Å; E61-K64 PolarHBondContact O-N 3.37Å; R62-K64 VanDerWaalsContact C-N 3.3Å; R62-K64 PolarHBondContact O-N 3.31Å; K64-A68 VanDerWaalsContact O-CB 3.3Å; K64-A68 WeakPolarHBondContact O-CB 3.4Å; K64-A68 PolarHBondContact O-N 3.01Å; K64-T74 WeakPolarHBondContact CE-O 3.09Å; K64-T74 WeakPolarHBondContact CG-OG1 3.42Å; K64-L76 HydrophobicContact CD-CB 3.75Å; K64-L76 HydrophobicContact CG-CB 4.33Å; K64-I101 HydrophobicContact CB-CD1 3.8Å; K64-I101 HydrophobicContact CG-CD1 4.12Å
65F86.2Confident85.4Confident119 Ų11965.7 Ų65.752%0.52232%0.316SS..Hα-helixtrans-69.7-46.4178.3-176.6-90.8000112E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 2.8Å; R62-F65 WeakPolarHBondContact O-CA 3.47Å; R62-F65 WeakPolarHBondContact O-CB 3.35Å; R62-F65 PolarHBondContact O-N 3.15Å; L63-F65 VanDerWaalsContact C-N 3.29Å; L63-F65 PolarHBondContact O-N 3.18Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 2.77Å; F65-A68 PolarHBondContact O-N 3.22Å; F65-A68 VanDerWaalsContact O-N 3.13Å; F65-E69 HydrophobicContact CD1-CG 4.3Å; F65-E69 HydrophobicContact CE1-CG 3.8Å; F65-E69 VanDerWaalsContact CE1-OE1 3.29Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.28Å; F65-E69 HydrophobicContact CZ-CG 4.09Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.38Å; F65-E69 PolarHBondContact O-N 2.82Å
66E88.7Confident85.5Confident31 Ų3164 Ų6415%0.14531%0.309CS..Hα-helixtrans-62.9-34.3178.3-67.5-86.7-169.900112.7L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 3.96Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.43Å; L33-E66 HydrophobicContact CD2-CB 3.95Å; L33-E66 HydrophobicContact CD2-CG 4.49Å; R62-E66 HydrophobicContact CG-CG 3.96Å; R62-E66 IonicContact CZ-OE1 3.06Å; R62-E66 IonicContact NE-OE1 2.72Å; R62-E66 PolarHBondContact NE-OE1 3.4Å; R62-E66 IonicContact NH2-OE1 3.34Å; R62-E66 PolarHBondContact NH2-OE1 3.28Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.39Å; R62-E66 PolarHBondContact O-N 3.2Å; L63-E66 PolarHBondContact O-N 3.34Å; E66-R70 VanDerWaalsContact O-CD 3.31Å; E66-R70 WeakPolarHBondContact O-CD 3.12Å; E66-R70 VanDerWaalsContact O-CG 3.32Å; E66-R70 WeakPolarHBondContact O-CG 3.25Å; E66-R70 PolarHBondContact O-NH1 2.84Å; E66-R70 IonicContact OE2-CZ 2.75Å; E66-R70 IonicContact OE2-NH1 3.55Å; E66-R70 PolarHBondContact OE2-NH1 2.73Å
67L85.5Confident85.4Confident0 Ų059.4 Ų59.40%029%0.288CS..Hα-helixtrans-76.4-32.1173.3-73.4176.6000112.4L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101L36-L67 HydrophobicContact CD2-CD1 4.29Å; L36-L67 HydrophobicContact CD2-CD2 4.24Å; L36-L67 HydrophobicContact CG-CD2 4.19Å; A37-L67 HydrophobicContact CB-CD2 4.11Å; L40-L67 HydrophobicContact CD1-CD1 3.91Å; L40-L67 HydrophobicContact CD1-CD2 4.16Å; L52-L67 HydrophobicContact CD1-CD1 4.17Å; L63-L67 HydrophobicContact CD1-CD1 4.01Å; L63-L67 HydrophobicContact CD1-CG 4.14Å; L63-L67 HydrophobicContact CG-CD1 3.96Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 WeakPolarHBondContact O-CB 3.43Å; L63-L67 WeakPolarHBondContact O-CG 3.38Å; L63-L67 PolarHBondContact O-N 3.01Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 2.77Å; L67-R70 CarbonylContact O-C 3.54Å; L67-R70 VanDerWaalsContact O-C 3.29Å; L67-R70 WeakPolarHBondContact O-CA 3.42Å; L67-R70 WeakPolarHBondContact O-CB 3.27Å; L67-R70 PolarHBondContact O-N 2.96Å; L67-R70 VanDerWaalsContact O-N 3.07Å; L67-D71 PolarHBondContact O-N 3.23Å; L67-V72 HydrophobicContact CB-CB 4.21Å; L67-V72 HydrophobicContact CD2-CB 4.44Å; L67-V72 PolarHBondContact O-N 3.26Å; L67-T74 HydrophobicContact CB-CG2 4.43Å; L67-T74 HydrophobicContact CD1-CG2 3.89Å; L67-I101 HydrophobicContact CD1-CD1 4.31Å
68A82Confident84.8Confident61 Ų6160.2 Ų60.250%0.50430%0.295SS..Hα-helixtrans-71.6-34.6173.200000112.9K64 F65 R70 D71K64-A68 VanDerWaalsContact O-CB 3.3Å; K64-A68 WeakPolarHBondContact O-CB 3.4Å; K64-A68 PolarHBondContact O-N 3.01Å; F65-A68 PolarHBondContact O-N 3.22Å; F65-A68 VanDerWaalsContact O-N 3.13Å; A68-R70 PolarHBondContact O-N 3.08Å; A68-R70 VanDerWaalsContact O-N 3.13Å; A68-D71 PolarHBondContact O-N 3.03Å
69E81.9Confident84.1Confident97 Ų9756.1 Ų56.145%0.45328%0.282SS..THydrogen-bonded Turntrans-64.6-6.9166.6-73.7-166.6149.500112.6F65 K805F65-E69 HydrophobicContact CD1-CG 4.3Å; F65-E69 HydrophobicContact CE1-CG 3.8Å; F65-E69 VanDerWaalsContact CE1-OE1 3.29Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.28Å; F65-E69 HydrophobicContact CZ-CG 4.09Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.38Å; F65-E69 PolarHBondContact O-N 2.82Å; E69-K805 IonicContact OE1-NZ 2.68Å; E69-K805 PolarHBondContact OE1-NZ 2.96Å; E69-K805 IonicContact OE2-NZ 3.79Å; E69-K805 PolarHBondContact OE2-NZ 3.1Å
70R85.1Confident83.1Confident38 Ų3863.4 Ų63.414%0.14332%0.315CS..THydrogen-bonded Turntrans-118.722.7178.3-65.5170.1172.782.9-1.7113.1D34 A37 R41 E66 L67 A68 V72D34-R70 IonicContact OD1-CZ 3.03Å; D34-R70 IonicContact OD1-NE 3.12Å; D34-R70 PolarHBondContact OD1-NE 3.06Å; D34-R70 IonicContact OD1-NH2 3.01Å; D34-R70 PolarHBondContact OD1-NH2 3.01Å; A37-R70 HydrophobicContact CB-CB 3.93Å; A37-R70 HydrophobicContact CB-CG 4.49Å; R41-R70 PolarHBondContact NE-O 3.02Å; R41-R70 PolarHBondContact NH2-O 3.4Å; E66-R70 VanDerWaalsContact O-CD 3.31Å; E66-R70 WeakPolarHBondContact O-CD 3.12Å; E66-R70 VanDerWaalsContact O-CG 3.32Å; E66-R70 WeakPolarHBondContact O-CG 3.25Å; E66-R70 PolarHBondContact O-NH1 2.84Å; E66-R70 IonicContact OE2-CZ 2.75Å; E66-R70 IonicContact OE2-NH1 3.55Å; E66-R70 PolarHBondContact OE2-NH1 2.73Å; L67-R70 CarbonylContact O-C 3.54Å; L67-R70 VanDerWaalsContact O-C 3.29Å; L67-R70 WeakPolarHBondContact O-CA 3.42Å; L67-R70 WeakPolarHBondContact O-CB 3.27Å; L67-R70 PolarHBondContact O-N 2.96Å; L67-R70 VanDerWaalsContact O-N 3.07Å; A68-R70 PolarHBondContact O-N 3.08Å; A68-R70 VanDerWaalsContact O-N 3.13Å; R70-V72 PolarHBondContact O-N 2.81Å; R70-V72 VanDerWaalsContact O-N 3.12Å
71D80.4Confident82Confident138 Ų13864.6 Ų64.674%0.73833%0.327SS*.THydrogen-bonded Turntrans59.216.7179-61.5-52.8000115.8L67 A68L67-D71 PolarHBondContact O-N 3.23Å; A68-D71 PolarHBondContact O-N 3.03Å
72V81.2Confident81Confident12 Ų1264.3 Ų64.37%0.07334%0.343CS..  trans-97.6105.8177.3-175.40000110.3A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.88Å; L40-V72 HydrophobicContact CB-CG1 3.78Å; L40-V72 HydrophobicContact CD1-CG1 3.86Å; L40-V72 HydrophobicContact CG-CG1 4.46Å; R41-V72 HydrophobicContact CG-CG2 3.85Å; L67-V72 HydrophobicContact CB-CB 4.21Å; L67-V72 HydrophobicContact CD2-CB 4.44Å; L67-V72 PolarHBondContact O-N 3.26Å; R70-V72 PolarHBondContact O-N 2.81Å; R70-V72 VanDerWaalsContact O-N 3.12Å; V72-T74 HydrophobicContact CG1-CG2 3.99Å; V72-T74 PolarHBondContact O-N 2.89Å
73N80.6Confident80.1Confident121 Ų12160.8 Ų60.865%0.64733%0.334SS*.  trans-73.2115.8178.1-73-75.2000111.2Q98N73-Q98 HydrophobicContact CB-CG 4.36Å
74T89Confident79.6Confident10 Ų1060.9 Ų60.96%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-129.3151.1-177.855.70000112.2L52 K64 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.14Å; K64-T74 WeakPolarHBondContact CE-O 3.09Å; K64-T74 WeakPolarHBondContact CG-OG1 3.42Å; L67-T74 HydrophobicContact CB-CG2 4.43Å; L67-T74 HydrophobicContact CD1-CG2 3.89Å; V72-T74 HydrophobicContact CG1-CG2 3.99Å; V72-T74 PolarHBondContact O-N 2.89Å; T74-A99 WeakPolarHBondContact CA-O 3.49Å; T74-A99 HydrophobicContact CG2-CB 4.28Å; T74-I101 HydrophobicContact CG2-CD1 4.16Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.2Å
75I89.1Confident78.9Confident35 Ų3559.4 Ų59.418%0.17934%0.344CS..EExtended strand (participates in β ladder)trans-106.8118.5174.8-73.8165.4000108.9V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CG2-CG1 3.91Å; I75-I96 HydrophobicContact CD1-CG2 3.2Å; I75-Q98 HydrophobicContact CD1-CB 4.06Å; I75-Q98 HydrophobicContact CG1-CB 4.25Å; I75-A99 PolarHBondContact N-O 3.46Å; I75-L100 HydrophobicContact CB-CD1 4.49Å; I75-L100 HydrophobicContact CG2-CD1 4.03Å; I75-L100 CarbonylContact O-C 3.56Å; I75-L100 WeakPolarHBondContact O-CA 3.47Å; I75-I101 PolarHBondContact O-N 3.3Å
76L89Confident78.6Confident25 Ų2559.2 Ų59.213%0.13135%0.345CS..EExtended strand (participates in β ladder)trans-82.8131.6167.4173.965.4000109.2A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.52Å; E61-L76 HydrophobicContact CB-CD2 4.36Å; E61-L76 HydrophobicContact CG-CD2 3.5Å; E61-L76 VanDerWaalsContact CG-CD2 3.5Å; K64-L76 HydrophobicContact CD-CB 3.75Å; K64-L76 HydrophobicContact CG-CB 4.33Å; L76-P78 VanDerWaalsContact O-CD 3.3Å; L76-P78 WeakPolarHBondContact O-CD 3.37Å; L76-I101 WeakPolarHBondContact CA-O 3.28Å; L76-I101 HydrophobicContact CD1-CB 4.2Å; L76-I101 HydrophobicContact CD1-CG2 3.96Å
77L82.6Confident78.3Confident1 Ų159.7 Ų59.71%0.00535%0.349CS..  trans-94.599.1172.9-163.477.6000109.1V84 V87 L88 L100 I101 L102 M106L77-V84 HydrophobicContact CD1-CB 4.4Å; L77-V84 HydrophobicContact CD1-CG1 4.13Å; L77-V84 HydrophobicContact CD1-CG2 4.17Å; L77-V84 HydrophobicContact CD2-CG1 4.2Å; L77-V84 HydrophobicContact CG-CG1 4.21Å; L77-V84 HydrophobicContact CG-CG2 4.15Å; L77-V87 HydrophobicContact CD1-CB 4.24Å; L77-V87 HydrophobicContact CD1-CG1 4.05Å; L77-L88 HydrophobicContact CD1-CD2 4.3Å; L77-L88 HydrophobicContact CD1-CG 4.02Å; L77-L88 HydrophobicContact CD2-CD1 4.13Å; L77-L88 HydrophobicContact CD2-CD2 3.97Å; L77-L88 HydrophobicContact CD2-CG 4.13Å; L77-L100 HydrophobicContact CB-CD1 4.19Å; L77-L100 HydrophobicContact CD1-CD1 4.37Å; L77-I101 PolarHBondContact N-O 3.23Å; L77-L102 HydrophobicContact CB-CB 4.27Å; L77-M106 HydrophobicContact CD2-CB 4.4Å; L77-M106 HydrophobicContact CD2-CE 3.87Å; L77-M106 HydrophobicContact CG-CE 4.07Å
78P73.1Confident78.2Confident59 Ų5960.2 Ų60.238%0.38335%0.352SS..  trans-77.8140.4-170.431.3-35.3000112L76 H80 G81 V84L76-P78 VanDerWaalsContact O-CD 3.3Å; L76-P78 WeakPolarHBondContact O-CD 3.37Å; P78-H80 PolarHBondContact O-N 2.9Å; P78-G81 PolarHBondContact O-N 3.1Å; P78-G81 VanDerWaalsContact O-N 3.16Å; P78-V84 WeakPolarHBondContact O-CG2 3.46Å
79P65.6Low78.1Confident41 Ų4162 Ų6227%0.26635%0.353SS..THydrogen-bonded Turntrans-58.8134.6172.725.7-33.5000111.1N57 G81 M106N57-P79 HydrophobicContact CB-CG 4.07Å; N57-P79 WeakPolarHBondContact OD1-CD 3.28Å; P79-G81 PolarHBondContact O-N 2.91Å; P79-M106 VanDerWaalsContact CA-SD 3.55Å; P79-M106 HydrophobicContact CB-SD 4.05Å
80H65.6Low78Confident181 Ų18161.1 Ų61.184%0.83835%0.351SS*.THydrogen-bonded Turntrans6218.7-177.7-35.4-61.2000115.2P78 A82P78-H80 PolarHBondContact O-N 2.9Å; H80-A82 PolarHBondContact O-N 3.18Å
81G65Low78.1Confident25 Ų2559.5 Ų59.526%0.25835%0.345SS..  trans-68.1117.6173.400000112.7P78 P79 M83 V84P78-G81 PolarHBondContact O-N 3.1Å; P78-G81 VanDerWaalsContact O-N 3.16Å; P79-G81 PolarHBondContact O-N 2.91Å; G81-M83 PolarHBondContact O-N 3.15Å; G81-V84 WeakPolarHBondContact O-CB 3.43Å; G81-V84 WeakPolarHBondContact O-CG2 3.5Å; G81-V84 PolarHBondContact O-N 2.86Å
82A64.4Low78Confident98 Ų9854.5 Ų54.581%0.8132%0.321SS*.THydrogen-bonded Turntrans-62.92179.300000115.9H80H80-A82 PolarHBondContact O-N 3.18Å
83M68.2Low77.8Confident89 Ų8960.5 Ų60.544%0.43835%0.346SS..THydrogen-bonded Turntrans-114.1-0.8175.9-53.8-67.2-68.600112.6G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 3.15Å; M83-G85 PolarHBondContact O-N 3.09Å; M83-Q86 WeakPolarHBondContact O-CA 3.41Å; M83-Q86 WeakPolarHBondContact O-CB 3.15Å; M83-Q86 PolarHBondContact O-N 3.44Å; M83-V87 PolarHBondContact O-N 2.82Å
84V78.2Confident77.4Confident13 Ų1356.3 Ų56.38%0.07933%0.332CS..Hα-helixtrans-51.5-52.1-172.4158.90000112.3L77 P78 G81 Q86 V87 L88 M106 H109L77-V84 HydrophobicContact CD1-CB 4.4Å; L77-V84 HydrophobicContact CD1-CG1 4.13Å; L77-V84 HydrophobicContact CD1-CG2 4.17Å; L77-V84 HydrophobicContact CD2-CG1 4.2Å; L77-V84 HydrophobicContact CG-CG1 4.21Å; L77-V84 HydrophobicContact CG-CG2 4.15Å; P78-V84 WeakPolarHBondContact O-CG2 3.46Å; G81-V84 WeakPolarHBondContact O-CB 3.43Å; G81-V84 WeakPolarHBondContact O-CG2 3.5Å; G81-V84 PolarHBondContact O-N 2.86Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 3.31Å; V84-V87 PolarHBondContact O-N 2.85Å; V84-L88 HydrophobicContact CG1-CD1 3.87Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 3.37Å; V84-M106 HydrophobicContact CB-CE 4.46Å; V84-M106 HydrophobicContact CG1-CE 3.76Å; V84-M106 HydrophobicContact CG2-CE 3.85Å; V84-H109 HydrophobicContact CG1-CB 4.38Å
85G76.2Confident76.8Confident53 Ų5364.1 Ų64.155%0.54636%0.361SS..Hα-helixtrans-63.3-28.6178.700000114.1M83 L89M83-G85 PolarHBondContact O-N 3.09Å; G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 PolarHBondContact O-N 2.84Å
86Q79.1Confident76.4Confident116 Ų11664 Ų6454%0.54236%0.361SS..Hα-helixtrans-76.6-39.1175.2-66-174.4-10.900111.8M83 V84 L89 L90M83-Q86 WeakPolarHBondContact O-CA 3.41Å; M83-Q86 WeakPolarHBondContact O-CB 3.15Å; M83-Q86 PolarHBondContact O-N 3.44Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 3.31Å; Q86-L89 PolarHBondContact O-N 2.79Å; Q86-L90 WeakPolarHBondContact O-CB 3.38Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.49Å; Q86-L90 PolarHBondContact O-N 3.39Å
87V81.9Confident75.9Confident40 Ų4066.1 Ų66.124%0.24237%0.372CS..Hα-helixtrans-64.1-46.8174.9174.60000110.3I75 L77 M83 V84 L89 L90 W91I75-V87 HydrophobicContact CG2-CG1 3.91Å; L77-V87 HydrophobicContact CD1-CB 4.24Å; L77-V87 HydrophobicContact CD1-CG1 4.05Å; M83-V87 PolarHBondContact O-N 2.82Å; V84-V87 PolarHBondContact O-N 2.85Å; V87-L89 PolarHBondContact O-N 2.85Å; V87-L90 PolarHBondContact O-N 2.99Å; V87-W91 VanDerWaalsContact O-CB 3.29Å; V87-W91 WeakPolarHBondContact O-CB 3.5Å; V87-W91 PolarHBondContact O-N 2.86Å
88L83.4Confident76Confident12 Ų1269.8 Ų69.86%0.06339%0.389CS..Hα-helixtrans-60.6-42.9175.7-73.6170.6000112.4L77 V84 L90 W91 S92 L100 H109 L110L77-L88 HydrophobicContact CD1-CD2 4.3Å; L77-L88 HydrophobicContact CD1-CG 4.02Å; L77-L88 HydrophobicContact CD2-CD1 4.13Å; L77-L88 HydrophobicContact CD2-CD2 3.97Å; L77-L88 HydrophobicContact CD2-CG 4.13Å; V84-L88 HydrophobicContact CG1-CD1 3.87Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 3.37Å; L88-L90 PolarHBondContact O-N 3.47Å; L88-W91 PolarHBondContact O-N 3.01Å; L88-S92 WeakPolarHBondContact O-CB 3.35Å; L88-S92 PolarHBondContact O-N 2.95Å; L88-S92 PolarHBondContact O-OG 2.88Å; L88-S92 VanDerWaalsContact O-OG 3.13Å; L88-L100 HydrophobicContact CD2-CD2 3.81Å; L88-H109 WeakPolarHBondContact CD1-O 3.19Å; L88-L110 HydrophobicContact CD2-CD2 4.15Å
89L79.8Confident76.7Confident97 Ų9767.6 Ų67.651%0.50838%0.376SS..Hα-helixtrans-65.9-35.4178.1-17963.1000113.2G85 Q86 V87 S92 K93G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 PolarHBondContact O-N 2.84Å; Q86-L89 PolarHBondContact O-N 2.79Å; V87-L89 PolarHBondContact O-N 2.85Å; L89-S92 PolarHBondContact O-OG 2.9Å; L89-K93 HydrophobicContact CD1-CD 4.29Å; L89-K93 WeakPolarHBondContact O-CB 3.42Å; L89-K93 WeakPolarHBondContact O-CG 3.35Å; L89-K93 PolarHBondContact O-N 3.34Å
90L80.4Confident77.9Confident80 Ų8065.6 Ų65.642%0.41936%0.363SS..Hα-helixtrans-75.1-35.4176.3-70.8170.6000111.8Q86 V87 L88 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.38Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.49Å; Q86-L90 PolarHBondContact O-N 3.39Å; V87-L90 PolarHBondContact O-N 2.99Å; L88-L90 PolarHBondContact O-N 3.47Å; L90-G94 PolarHBondContact O-N 3.23Å; L90-Y95 HydrophobicContact CD2-CD2 3.81Å; L90-Y95 HydrophobicContact CD2-CG 4.23Å; L90-Y95 WeakPolarHBondContact O-CB 3.43Å; L90-Y95 PolarHBondContact O-N 3.44Å; L90-I96 HydrophobicContact CB-CD1 3.52Å; L90-I96 HydrophobicContact CB-CG1 3.92Å; L90-I96 HydrophobicContact CD1-CD1 4.34Å
91W86.5Confident79.2Confident3 Ų357 Ų571%0.01132%0.323CS..Hα-helixtrans-70.3-47.9176-170.986.3000112.3K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.77Å; K49-W91 HydrophobicContact CB-CZ2 3.86Å; K49-W91 HydrophobicContact CB-CZ3 4.47Å; K49-W91 HydrophobicContact CG-CZ2 4.47Å; I51-W91 HydrophobicContact CD1-CH2 4.01Å; I51-W91 HydrophobicContact CD1-CZ3 4.34Å; I51-W91 HydrophobicContact CG1-CH2 3.56Å; I51-W91 HydrophobicContact CG1-CZ2 4.13Å; I51-W91 HydrophobicContact CG1-CZ3 4.32Å; V87-W91 VanDerWaalsContact O-CB 3.29Å; V87-W91 WeakPolarHBondContact O-CB 3.5Å; V87-W91 PolarHBondContact O-N 2.86Å; L88-W91 PolarHBondContact O-N 3.01Å; W91-K93 VanDerWaalsContact C-N 3.25Å; W91-K93 PolarHBondContact O-N 2.9Å; W91-G94 PolarHBondContact O-N 3.32Å; W91-I96 HydrophobicContact CB-CB 4.33Å; W91-Q98 PolarHBondContact NE1-O 3.45Å; W91-L100 HydrophobicContact CD2-CB 4.4Å; W91-L100 HydrophobicContact CD2-CD2 4.12Å; W91-L100 HydrophobicContact CE3-CD2 4.19Å; W91-L100 HydrophobicContact CZ2-CB 3.93Å; W91-L100 HydrophobicContact CZ3-CD2 4.46Å; W91-V113 HydrophobicContact CZ3-CB 4.19Å; W91-V113 HydrophobicContact CZ3-CG2 4.22Å; W91-A115 HydrophobicContact CH2-CB 4.24Å
92S78.6Confident80.4Confident34 Ų3455.8 Ų55.824%0.23831%0.311CS..Hα-helixtrans-61.7-34.317867.60000112.3K49 L88 L89 G94K49-S92 PolarHBondContact NZ-O 3.38Å; L88-S92 WeakPolarHBondContact O-CB 3.35Å; L88-S92 PolarHBondContact O-N 2.95Å; L88-S92 PolarHBondContact O-OG 2.88Å; L88-S92 VanDerWaalsContact O-OG 3.13Å; L89-S92 PolarHBondContact O-OG 2.9Å; S92-G94 VanDerWaalsContact C-N 3.34Å; S92-G94 PolarHBondContact O-N 3.38Å
93K78.6Confident81.6Confident137 Ų13751.5 Ų51.560%0.59628%0.275SS*.THydrogen-bonded Turntrans-80.81173.7-70.7-170.2172.8-166.50115.6L89 W91 Y95L89-K93 HydrophobicContact CD1-CD 4.29Å; L89-K93 WeakPolarHBondContact O-CB 3.42Å; L89-K93 WeakPolarHBondContact O-CG 3.35Å; L89-K93 PolarHBondContact O-N 3.34Å; W91-K93 VanDerWaalsContact C-N 3.25Å; W91-K93 PolarHBondContact O-N 2.9Å; K93-Y95 VanDerWaalsContact C-N 3.33Å; K93-Y95 HydrophobicContact CB-CD2 3.7Å; K93-Y95 HydrophobicContact CB-CE2 3.71Å; K93-Y95 HydrophobicContact CD-CE2 4.08Å; K93-Y95 PolarHBondContact O-N 2.91Å
94G72.1Confident82.4Confident34 Ų3449 Ų4935%0.35126%0.263SS..THydrogen-bonded Turntrans72.419.7177.100000115.2L90 W91 S92 N97L90-G94 PolarHBondContact O-N 3.23Å; W91-G94 PolarHBondContact O-N 3.32Å; S92-G94 VanDerWaalsContact C-N 3.34Å; S92-G94 PolarHBondContact O-N 3.38Å; G94-N97 PolarHBondContact O-OD1 2.87Å
95Y76Confident82.6Confident173 Ų17350.9 Ų50.968%0.67829%0.285SS*.SBendtrans-80.3-6.9166.7-62.3-69.6000112.4L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.81Å; L90-Y95 HydrophobicContact CD2-CG 4.23Å; L90-Y95 WeakPolarHBondContact O-CB 3.43Å; L90-Y95 PolarHBondContact O-N 3.44Å; K93-Y95 VanDerWaalsContact C-N 3.33Å; K93-Y95 HydrophobicContact CB-CD2 3.7Å; K93-Y95 HydrophobicContact CB-CE2 3.71Å; K93-Y95 HydrophobicContact CD-CE2 4.08Å; K93-Y95 PolarHBondContact O-N 2.91Å
96I80.3Confident83Confident34 Ų3448.5 Ų48.517%0.17426%0.26CS..  trans-136.8108.1-177.4-60.1-179.5000108.7I75 L90 W91 Q98I75-I96 HydrophobicContact CD1-CG2 3.2Å; L90-I96 HydrophobicContact CB-CD1 3.52Å; L90-I96 HydrophobicContact CB-CG1 3.92Å; L90-I96 HydrophobicContact CD1-CD1 4.34Å; W91-I96 HydrophobicContact CB-CB 4.33Å; I96-Q98 HydrophobicContact CG2-CB 4.5Å
97N78Confident83.2Confident68 Ų6843.2 Ų43.236%0.36424%0.236SC..  trans-99.825.6-172.9-67.73.1000112.8A45 N46 G94A45-N97 WeakPolarHBondContact O-CB 3.36Å; N46-N97 PolarHBondContact OD1-ND2 2.61Å; G94-N97 PolarHBondContact O-OD1 2.87Å
98Q85.9Confident82.9Confident79 Ų7947 Ų4737%0.36925%0.251SS..SBendtrans-105144.6-179.5-67.6-178.26.200110.1N73 I75 W91 I96N73-Q98 HydrophobicContact CB-CG 4.36Å; I75-Q98 HydrophobicContact CD1-CB 4.06Å; I75-Q98 HydrophobicContact CG1-CB 4.25Å; W91-Q98 PolarHBondContact NE1-O 3.45Å; I96-Q98 HydrophobicContact CG2-CB 4.5Å
99A87.9Confident82.5Confident12 Ų1250.4 Ų50.410%0.09927%0.266CS..EExtended strand (participates in β ladder)trans-64138.2178.100000111.1L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.92Å; T50-A99 HydrophobicContact CG2-CB 4.37Å; T50-A99 WeakPolarHBondContact O-CA 3.33Å; L52-A99 HydrophobicContact CD1-CB 3.7Å; T74-A99 WeakPolarHBondContact CA-O 3.49Å; T74-A99 HydrophobicContact CG2-CB 4.28Å; I75-A99 PolarHBondContact N-O 3.46Å
100L90.1Very high82.3Confident0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-99110.4-170.2-175.468.5000110.8T50 I51 L52 I75 L77 L88 W91 L102 L110T50-L100 PolarHBondContact O-N 2.98Å; I51-L100 CarbonylContact C-O 3.58Å; I51-L100 WeakPolarHBondContact CA-O 3.38Å; L52-L100 PolarHBondContact N-O 2.97Å; I75-L100 HydrophobicContact CB-CD1 4.49Å; I75-L100 HydrophobicContact CG2-CD1 4.03Å; I75-L100 CarbonylContact O-C 3.56Å; I75-L100 WeakPolarHBondContact O-CA 3.47Å; L77-L100 HydrophobicContact CB-CD1 4.19Å; L77-L100 HydrophobicContact CD1-CD1 4.37Å; L88-L100 HydrophobicContact CD2-CD2 3.81Å; W91-L100 HydrophobicContact CD2-CB 4.4Å; W91-L100 HydrophobicContact CD2-CD2 4.12Å; W91-L100 HydrophobicContact CE3-CD2 4.19Å; W91-L100 HydrophobicContact CZ2-CB 3.93Å; W91-L100 HydrophobicContact CZ3-CD2 4.46Å; L100-L102 HydrophobicContact CD2-CD2 4.22Å; L100-L102 HydrophobicContact CG-CD2 4.39Å; L100-L110 HydrophobicContact CD2-CD2 4.43Å
101I91.8Very high81.9Confident0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-88.9132.3174.2-54.1171.2000109.9L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.3Å; L52-I101 HydrophobicContact CB-CG1 3.82Å; L52-I101 HydrophobicContact CD1-CD1 4.35Å; L52-I101 HydrophobicContact CD1-CG1 3.58Å; L52-I101 HydrophobicContact CG-CG1 4.33Å; L52-I101 WeakPolarHBondContact O-CA 3.4Å; A60-I101 HydrophobicContact CB-CG2 3.8Å; L63-I101 HydrophobicContact CD2-CD1 4.29Å; L63-I101 HydrophobicContact CD2-CG1 4.4Å; L63-I101 HydrophobicContact CD2-CG2 4.11Å; L63-I101 HydrophobicContact CG-CD1 4.19Å; K64-I101 HydrophobicContact CB-CD1 3.8Å; K64-I101 HydrophobicContact CG-CD1 4.12Å; L67-I101 HydrophobicContact CD1-CD1 4.31Å; T74-I101 HydrophobicContact CG2-CD1 4.16Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.2Å; I75-I101 PolarHBondContact O-N 3.3Å; L76-I101 WeakPolarHBondContact CA-O 3.28Å; L76-I101 HydrophobicContact CD1-CB 4.2Å; L76-I101 HydrophobicContact CD1-CG2 3.96Å; L77-I101 PolarHBondContact N-O 3.23Å
102L90.8Very high81Confident0 Ų050 Ų500%028%0.278CS..EExtended strand (participates in β ladder)trans-148.9160.3175.161.294.1000111.6I51 L52 I53 C54 L77 L100 M106 L107 L110I51-L102 HydrophobicContact CG2-CD2 3.74Å; I51-L102 HydrophobicContact CG2-CG 4.24Å; L52-L102 PolarHBondContact O-N 3.14Å; I53-L102 WeakPolarHBondContact CA-O 2.58Å; I53-L102 HydrophobicContact CG1-CD1 4.18Å; I53-L102 HydrophobicContact CG2-CD1 4.31Å; C54-L102 PolarHBondContact N-O 3.09Å; L77-L102 HydrophobicContact CB-CB 4.27Å; L100-L102 HydrophobicContact CD2-CD2 4.22Å; L100-L102 HydrophobicContact CG-CD2 4.39Å; L102-M106 HydrophobicContact CB-CB 4.11Å; L102-L107 HydrophobicContact CD1-CD2 3.78Å; L102-L107 HydrophobicContact CD1-CG 4.37Å; L102-L110 HydrophobicContact CD1-CD1 4.27Å; L102-L110 HydrophobicContact CD2-CD1 3.73Å; L102-L110 HydrophobicContact CD2-CD2 4.11Å; L102-L110 HydrophobicContact CD2-CG 4.07Å
103C90.1Very high80.7Confident8 Ų848.8 Ų48.85%0.05427%0.27CS..EExtended strand (participates in β ladder)trans-103.2166.3172.359.90000111.8C54 G105 M106C54-C103 CarbonylContact O-C 3.43Å; C54-C103 VanDerWaalsContact O-CA 3.27Å; C54-C103 WeakPolarHBondContact O-CA 3.43Å; C103-G105 PolarHBondContact O-N 3.44Å; C103-G105 VanDerWaalsContact O-N 3.12Å; C103-M106 WeakPolarHBondContact O-CB 3.49Å; C103-M106 PolarHBondContact O-N 2.65Å
104D85.4Confident80.4Confident36 Ų3649.4 Ų49.419%0.19328%0.275CS..G310 helixtrans-51.9-38.6-177.8-75.5-36.6000113.9C54 Q55 M106 L107 R132C54-D104 PolarHBondContact O-N 3.49Å; C54-D104 VanDerWaalsContact O-N 3.16Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.4Å; Q55-D104 PolarHBondContact O-N 2.88Å; D104-M106 PolarHBondContact O-N 3.24Å; D104-L107 HydrophobicContact CB-CD1 4.2Å; D104-L107 WeakPolarHBondContact O-CB 3.33Å; D104-L107 VanDerWaalsContact O-CG 3.3Å; D104-L107 WeakPolarHBondContact O-CG 3.14Å; D104-L107 PolarHBondContact O-N 3.08Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.34Å; D104-R132 IonicContact OD1-CZ 2.72Å; D104-R132 IonicContact OD1-NE 3.66Å; D104-R132 PolarHBondContact OD1-NE 3.13Å; D104-R132 IonicContact OD1-NH2 3.76Å; D104-R132 PolarHBondContact OD1-NH2 3.34Å; D104-R132 IonicContact OD2-CZ 3.29Å; D104-R132 IonicContact OD2-NE 3.46Å; D104-R132 IonicContact OD2-NH2 2.76Å; D104-R132 PolarHBondContact OD2-NH2 3.04Å
105G81.8Confident80.7Confident53 Ų5348.1 Ų48.155%0.54626%0.261SS..G310 helixtrans-64.40.1175.200000116C103C103-G105 PolarHBondContact O-N 3.44Å; C103-G105 VanDerWaalsContact O-N 3.12Å
106M84.4Confident81Confident2 Ų243.5 Ų43.51%0.0125%0.248CC..G310 helixtrans-110.81.1173.9-62.6-55.2-68.400113.2L77 P79 V84 L102 C103 D104 E108 H109 L110L77-M106 HydrophobicContact CD2-CB 4.4Å; L77-M106 HydrophobicContact CD2-CE 3.87Å; L77-M106 HydrophobicContact CG-CE 4.07Å; P79-M106 VanDerWaalsContact CA-SD 3.55Å; P79-M106 HydrophobicContact CB-SD 4.05Å; V84-M106 HydrophobicContact CB-CE 4.46Å; V84-M106 HydrophobicContact CG1-CE 3.76Å; V84-M106 HydrophobicContact CG2-CE 3.85Å; L102-M106 HydrophobicContact CB-CB 4.11Å; C103-M106 WeakPolarHBondContact O-CB 3.49Å; C103-M106 PolarHBondContact O-N 2.65Å; D104-M106 PolarHBondContact O-N 3.24Å; M106-E108 PolarHBondContact O-N 3.2Å; M106-H109 HydrophobicContact CE-CB 3.98Å; M106-H109 WeakPolarHBondContact O-CB 3.43Å; M106-H109 PolarHBondContact O-N 3.4Å; M106-H109 VanDerWaalsContact O-N 3.09Å; M106-L110 PolarHBondContact O-N 3.34Å
107L82.4Confident81.3Confident6 Ų641.9 Ų41.93%0.03124%0.24CC..G310 helixtrans-65.6-39.6-178.2-67.7169.1000112.6I53 L102 D104 H109 L110 R132 W135I53-L107 HydrophobicContact CD1-CD2 4.19Å; L102-L107 HydrophobicContact CD1-CD2 3.78Å; L102-L107 HydrophobicContact CD1-CG 4.37Å; D104-L107 HydrophobicContact CB-CD1 4.2Å; D104-L107 WeakPolarHBondContact O-CB 3.33Å; D104-L107 VanDerWaalsContact O-CG 3.3Å; D104-L107 WeakPolarHBondContact O-CG 3.14Å; D104-L107 PolarHBondContact O-N 3.08Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.34Å; L107-H109 PolarHBondContact O-N 3.19Å; L107-L110 HydrophobicContact CD2-CD1 4.01Å; L107-L110 PolarHBondContact O-N 2.94Å; L107-R132 HydrophobicContact CD1-CB 3.95Å; L107-R132 HydrophobicContact CD1-CG 3.78Å; L107-W135 HydrophobicContact CB-CB 4.03Å; L107-W135 HydrophobicContact CB-CG 4.02Å
108E77.1Confident81.8Confident120 Ų12038.7 Ų38.756%0.56122%0.222SC*.G310 helixtrans-61.1-25.4172.969.6-177-177.200113.1M106 W135M106-E108 PolarHBondContact O-N 3.2Å; E108-W135 HydrophobicContact CB-CH2 3.88Å; E108-W135 HydrophobicContact CB-CZ2 3.9Å; E108-W135 HydrophobicContact CB-CZ3 4.32Å
109H75.4Confident82Confident83 Ų8334.9 Ų34.938%0.38421%0.205SC..G310 helixtrans-85.3-16-175.7-73.680.9000113.4V84 L88 M106 L107 G111V84-H109 HydrophobicContact CG1-CB 4.38Å; L88-H109 WeakPolarHBondContact CD1-O 3.19Å; M106-H109 HydrophobicContact CE-CB 3.98Å; M106-H109 WeakPolarHBondContact O-CB 3.43Å; M106-H109 PolarHBondContact O-N 3.4Å; M106-H109 VanDerWaalsContact O-N 3.09Å; L107-H109 PolarHBondContact O-N 3.19Å; H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 3.36Å
110L75.4Confident82.1Confident6 Ų634.3 Ų34.33%0.03120%0.2CC..  trans-63.1-33.6-177.2-94.1152.3000113.2I51 L88 L100 L102 M106 L107 V113I51-L110 HydrophobicContact CD1-CD2 3.96Å; L88-L110 HydrophobicContact CD2-CD2 4.15Å; L100-L110 HydrophobicContact CD2-CD2 4.43Å; L102-L110 HydrophobicContact CD1-CD1 4.27Å; L102-L110 HydrophobicContact CD2-CD1 3.73Å; L102-L110 HydrophobicContact CD2-CD2 4.11Å; L102-L110 HydrophobicContact CD2-CG 4.07Å; M106-L110 PolarHBondContact O-N 3.34Å; L107-L110 HydrophobicContact CD2-CD1 4.01Å; L107-L110 PolarHBondContact O-N 2.94Å; L110-V113 HydrophobicContact CD2-CG2 3.71Å
111G70.9Confident81.9Confident41 Ų4135.5 Ų35.542%0.42321%0.207SC..  trans65.4-139.4-171.700000111.6H109 S139H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 3.36Å; G111-S139 VanDerWaalsContact O-CA 3.26Å; G111-S139 WeakPolarHBondContact O-CA 3.34Å; G111-S139 WeakPolarHBondContact O-CB 3.35Å; G111-S139 PolarHBondContact O-OG 2.81Å
112V67.9Low81.5Confident123 Ų12337.6 Ų37.675%0.74522%0.22SC*.SBendtrans-104.3119171.9-179.50000108.6
113V73.3Confident81Confident9 Ų941.1 Ų41.16%0.05524%0.239CC..  trans-133.8142.2177.2-65.80000111.5I51 W91 L110 A115 S139I51-V113 HydrophobicContact CD1-CG2 4.19Å; W91-V113 HydrophobicContact CZ3-CB 4.19Å; W91-V113 HydrophobicContact CZ3-CG2 4.22Å; L110-V113 HydrophobicContact CD2-CG2 3.71Å; V113-A115 PolarHBondContact O-N 2.79Å; V113-S139 CarbonylContact C-O 3.53Å; V113-S139 VanDerWaalsContact CG2-O 3.26Å; V113-S139 WeakPolarHBondContact CG2-O 3.37Å; V113-S139 PolarHBondContact N-O 3.02Å
114E71.1Confident80.5Confident151 Ų15141.4 Ų41.471%0.70624%0.24SC*.  trans-79.4114.1168.5-66.7175.8157.100108.4K49K49-E114 WeakPolarHBondContact CD-O 3.46Å
115A79.4Confident80.1Confident7 Ų745.8 Ų45.86%0.05826%0.26CS..  trans-124.7134.7171.900000108.6K49 I51 W91 V113 A140 A143K49-A115 CarbonylContact O-C 3.57Å; I51-A115 HydrophobicContact CD1-CB 3.65Å; I51-A115 HydrophobicContact CG1-CB 3.98Å; W91-A115 HydrophobicContact CH2-CB 4.24Å; V113-A115 PolarHBondContact O-N 2.79Å; A115-A140 HydrophobicContact CB-CB 4.23Å; A115-A143 VanDerWaalsContact O-CB 3.29Å; A115-A143 WeakPolarHBondContact O-CB 3.16Å
116N82.3Confident79.8Confident76 Ų7648.7 Ų48.741%0.40626%0.262SS..SBendtrans-87.2-31.1-178.9-56.691.3000111.5E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.18Å; E48-N116 HydrophobicContact CG-CB 4.37Å; K49-N116 PolarHBondContact N-OD1 2.78Å; K49-N116 PolarHBondContact O-N 3.41Å; N116-E144 PolarHBondContact O-N 2.85Å
117L85.1Confident79.2Confident0 Ų054.5 Ų54.50%029%0.293CS..EExtended strand (participates in β ladder)trans-140.1132.6-176.7179.467.5000110T39 K49 T50 I51 I119 E144 L146T39-L117 HydrophobicContact CG2-CD2 4.34Å; K49-L117 PolarHBondContact O-N 2.92Å; T50-L117 WeakPolarHBondContact CA-O 3Å; T50-L117 HydrophobicContact CG2-CB 4.18Å; T50-L117 HydrophobicContact CG2-CD2 3.85Å; T50-L117 HydrophobicContact CG2-CG 4.09Å; I51-L117 PolarHBondContact N-O 3.16Å; L117-I119 HydrophobicContact CD1-CG1 4.39Å; L117-I119 HydrophobicContact CD2-CD1 3.82Å; L117-I119 HydrophobicContact CD2-CG1 3.95Å; L117-I119 HydrophobicContact CG-CD1 4.3Å; L117-I119 HydrophobicContact CG-CG1 3.85Å; L117-E144 WeakPolarHBondContact CA-O 3.47Å; L117-E144 HydrophobicContact CD1-CB 4.05Å; L117-E144 HydrophobicContact CD1-CG 4.2Å; L117-L146 HydrophobicContact CD1-CB 4.24Å
118V88.3Confident79Confident0 Ų058.6 Ų58.60%031%0.311CS..EExtended strand (participates in β ladder)trans-119.6124.5170.6176.60000108.2I51 I53 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.33Å; I53-V118 HydrophobicContact CD1-CG1 3.47Å; I53-V118 VanDerWaalsContact CD1-CG1 3.47Å; I53-V118 HydrophobicContact CG1-CG1 4.14Å; V118-L136 HydrophobicContact CG1-CD1 4.08Å; V118-L136 HydrophobicContact CG1-CD2 4.31Å; V118-L136 HydrophobicContact CG2-CD2 4.36Å; V118-A140 HydrophobicContact CG2-CB 4.21Å; V118-A143 HydrophobicContact CG2-CB 3.86Å; V118-E144 PolarHBondContact N-O 2.88Å; V118-M145 HydrophobicContact CB-CE 4.38Å; V118-M145 HydrophobicContact CB-SD 3.67Å; V118-M145 HydrophobicContact CG1-SD 3.98Å; V118-M145 HydrophobicContact CG2-CE 4.34Å; V118-M145 HydrophobicContact CG2-SD 4.27Å; V118-L146 PolarHBondContact O-N 2.84Å
119I90.6Very high79.2Confident0 Ų053.9 Ų53.90%029%0.288CS..EExtended strand (participates in β ladder)trans-113.3115.5-179.1-47.5-179.8000109.4L36 T39 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD1-CD1 3.62Å; L36-I119 HydrophobicContact CD1-CG2 3.84Å; T39-I119 HydrophobicContact CG2-CD1 4.48Å; L40-I119 HydrophobicContact CD2-CD1 4.21Å; T50-I119 HydrophobicContact CG2-CD1 3.93Å; T50-I119 HydrophobicContact CG2-CG1 4.18Å; I51-I119 PolarHBondContact O-N 3.49Å; L52-I119 HydrophobicContact CD2-CB 4.05Å; L52-I119 HydrophobicContact CD2-CD1 4.04Å; L52-I119 HydrophobicContact CD2-CG1 4.48Å; L52-I119 HydrophobicContact CD2-CG2 4.45Å; I53-I119 PolarHBondContact N-O 2.84Å; L117-I119 HydrophobicContact CD1-CG1 4.39Å; L117-I119 HydrophobicContact CD2-CD1 3.82Å; L117-I119 HydrophobicContact CD2-CG1 3.95Å; L117-I119 HydrophobicContact CG-CD1 4.3Å; L117-I119 HydrophobicContact CG-CG1 3.85Å; I119-T121 HydrophobicContact CG2-CG2 4.13Å; I119-T121 PolarHBondContact O-N 3.41Å; I119-L146 CarbonylContact C-O 3.58Å; I119-L146 WeakPolarHBondContact CA-O 3.35Å; I119-L146 HydrophobicContact CD1-CD2 4.19Å; I119-L146 HydrophobicContact CG1-CB 4.25Å; I119-L146 HydrophobicContact CG1-CD2 4.17Å; I119-L146 HydrophobicContact CG2-CB 4.31Å; I119-L146 HydrophobicContact CG2-CD2 4.04Å; I119-L146 HydrophobicContact CG2-CG 4.17Å; I119-I148 HydrophobicContact CG2-CD1 4.07Å; I119-I148 HydrophobicContact CG2-CG1 4.38Å
120H90.5Very high79.4Confident0 Ų055.3 Ų55.30%030%0.295CS..EExtended strand (participates in β ladder)trans-84.1107.4170.1-56.1-70.7000108.9R132 L146 V147 I148H120-R132 WeakPolarHBondContact ND1-CD 3.48Å; H120-R132 PolarHBondContact ND1-NH1 3.22Å; H120-L146 PolarHBondContact N-O 3.18Å; H120-V147 HydrophobicContact CB-CG2 4.38Å; H120-I148 PolarHBondContact O-N 2.83Å
121T86.1Confident79.6Confident24 Ų2460.9 Ų60.915%0.14732%0.321CS..SBendtrans-90.7-20.3-178.757.70000112.9L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD2-CG2 3.77Å; L52-T121 HydrophobicContact CD2-CG2 4.06Å; I53-T121 PolarHBondContact O-N 2.95Å; I53-T121 PolarHBondContact O-OG1 3.3Å; I53-T121 VanDerWaalsContact O-OG1 3.11Å; C54-T121 PolarHBondContact SG-OG1 2.88Å; L63-T121 HydrophobicContact CD2-CG2 3.86Å; I119-T121 HydrophobicContact CG2-CG2 4.13Å; I119-T121 PolarHBondContact O-N 3.41Å
122T83.2Confident80.3Confident45 Ų4559 Ų5928%0.27630%0.301SS..SBendtrans-136.9138.5166.646.60000109.8C54 Q55 E59 R132C54-T122 WeakPolarHBondContact CA-OG1 3.44Å; Q55-T122 PolarHBondContact N-OG1 3.27Å; E59-T122 WeakPolarHBondContact OE2-CB 3.36Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.28Å; E59-T122 PolarHBondContact OE2-OG1 3.31Å; T122-R132 PolarHBondContact O-NH1 3Å; T122-R132 PolarHBondContact O-NH2 3.13Å
123L80.6Confident81Confident74 Ų7455.2 Ų55.239%0.38728%0.276SS..PPolyproline II helixtrans-97.2126.2178.1-78.5175.5000110.5F129 V147 T149L123-F129 HydrophobicContact CD2-CD2 3.91Å; L123-F129 HydrophobicContact CD2-CE2 3.65Å; L123-F129 HydrophobicContact CD2-CZ 4.12Å; L123-V147 HydrophobicContact CD1-CG1 3.7Å; L123-V147 HydrophobicContact CD2-CG1 3.73Å; L123-V147 HydrophobicContact CG-CG1 3.84Å; L123-T149 HydrophobicContact CD1-CG2 4.05Å
124P78.8Confident81.3Confident13 Ų1362 Ų628%0.08431%0.305CS..PPolyproline II helixtrans-86172.5170.338-35.4000110.7Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.25Å; P124-K128 HydrophobicContact CB-CB 3.87Å; P124-K128 HydrophobicContact CG-CB 4.09Å; P124-F129 HydrophobicContact CG-CB 4.05Å; P124-F129 HydrophobicContact CG-CD2 4.44Å
125E77.7Confident81.7Confident129 Ų12960 Ų6060%0.60329%0.291SS*.PPolyproline II helixtrans-51.1147.5170.1-60.1160.5145.700111.9N127 K128 F129E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3.32Å; E125-N127 VanDerWaalsContact O-N 3.1Å; E125-K128 WeakPolarHBondContact O-CA 3.39Å; E125-K128 PolarHBondContact O-N 2.86Å; E125-K128 IonicContact OE2-NZ 3.63Å; E125-K128 PolarHBondContact OE2-NZ 3.17Å; E125-F129 PolarHBondContact O-N 3.05Å
126L74.6Confident81.8Confident114 Ų11459.8 Ų59.860%0.59729%0.289SS*.Hα-helixtrans-46-49.5-171-175.964.5000113.7K128 F129 E130L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 2.81Å; L126-F129 CarbonylContact O-C 3.56Å; L126-F129 WeakPolarHBondContact O-CA 3.49Å; L126-F129 WeakPolarHBondContact O-CB 3.3Å; L126-F129 PolarHBondContact O-N 3.21Å; L126-E130 PolarHBondContact O-N 2.97Å
127N73.6Confident81.3Confident123 Ų12359.7 Ų59.766%0.65829%0.294SS*.Hα-helixtrans-58.3-41.4-179.2-56.80.6000112.5E125 E130 E131E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3.32Å; E125-N127 VanDerWaalsContact O-N 3.1Å; N127-E130 PolarHBondContact O-N 3.28Å; N127-E131 WeakPolarHBondContact O-CG 3.01Å; N127-E131 PolarHBondContact O-N 3.13Å
128K76.4Confident80.6Confident93 Ų9363.8 Ų63.840%0.40432%0.315SS..Hα-helixtrans-74.9-28.8176.6-71.8170.1-175.7146.70111.8P124 E125 L126 R132P124-K128 HydrophobicContact CB-CB 3.87Å; P124-K128 HydrophobicContact CG-CB 4.09Å; E125-K128 WeakPolarHBondContact O-CA 3.39Å; E125-K128 PolarHBondContact O-N 2.86Å; E125-K128 IonicContact OE2-NZ 3.63Å; E125-K128 PolarHBondContact OE2-NZ 3.17Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 2.81Å; K128-R132 WeakPolarHBondContact O-CB 3.33Å; K128-R132 PolarHBondContact O-N 2.87Å
129F82.3Confident79.5Confident20 Ų2063.9 Ų63.99%0.08832%0.316CS..Hα-helixtrans-68.6-40.2172.1-170.4-117.2000110.9F21 L123 P124 E125 L126 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.29Å; L123-F129 HydrophobicContact CD2-CD2 3.91Å; L123-F129 HydrophobicContact CD2-CE2 3.65Å; L123-F129 HydrophobicContact CD2-CZ 4.12Å; P124-F129 HydrophobicContact CG-CB 4.05Å; P124-F129 HydrophobicContact CG-CD2 4.44Å; E125-F129 PolarHBondContact O-N 3.05Å; L126-F129 CarbonylContact O-C 3.56Å; L126-F129 WeakPolarHBondContact O-CA 3.49Å; L126-F129 WeakPolarHBondContact O-CB 3.3Å; L126-F129 PolarHBondContact O-N 3.21Å; F129-R132 WeakPolarHBondContact O-CB 3.35Å; F129-R132 PolarHBondContact O-N 3.13Å; F129-L133 HydrophobicContact CD1-CD1 4.07Å; F129-L133 HydrophobicContact CD1-CG 4.42Å; F129-L133 HydrophobicContact CE1-CD1 3.72Å; F129-L133 HydrophobicContact CE1-CG 4.18Å; F129-L133 HydrophobicContact CE2-CD2 4.42Å; F129-L133 HydrophobicContact CZ-CD1 4.17Å; F129-L133 HydrophobicContact CZ-CD2 4.13Å; F129-L133 HydrophobicContact CZ-CG 4.25Å; F129-L133 WeakPolarHBondContact O-CG 3.18Å; F129-L133 PolarHBondContact O-N 3.4Å
130E79.3Confident78.3Confident113 Ų11364 Ų6453%0.52832%0.318SS..Hα-helixtrans-63-41.9172.1-70.3-179.3-177.500112.3L126 N127 L133 K134L126-E130 PolarHBondContact O-N 2.97Å; N127-E130 PolarHBondContact O-N 3.28Å; E130-L133 PolarHBondContact O-N 3.25Å; E130-K134 WeakPolarHBondContact O-CB 3.38Å; E130-K134 PolarHBondContact O-N 3.08Å
131E78.9Confident77Confident123 Ų12373.3 Ų73.358%0.57535%0.353SS*.Hα-helixtrans-59.5-44.7170.7-72.9179.7153.300112.1N127 L133 K134 W135N127-E131 WeakPolarHBondContact O-CG 3.01Å; N127-E131 PolarHBondContact O-N 3.13Å; E131-L133 PolarHBondContact O-N 2.81Å; E131-K134 WeakPolarHBondContact O-CB 3.3Å; E131-K134 PolarHBondContact O-N 3.01Å; E131-W135 VanDerWaalsContact O-CD1 3.23Å; E131-W135 PolarHBondContact O-N 2.84Å; E131-W135 VanDerWaalsContact O-N 3.08Å
132R87.1Confident76.1Confident1 Ų180.4 Ų80.40%0.00439%0.389CS..Hα-helixtrans-59.3-45.9175.3176.5-170.2-69-175-6111.6D104 L107 H120 T122 K128 F129 W135 L136D104-R132 IonicContact OD1-CZ 2.72Å; D104-R132 IonicContact OD1-NE 3.66Å; D104-R132 PolarHBondContact OD1-NE 3.13Å; D104-R132 IonicContact OD1-NH2 3.76Å; D104-R132 PolarHBondContact OD1-NH2 3.34Å; D104-R132 IonicContact OD2-CZ 3.29Å; D104-R132 IonicContact OD2-NE 3.46Å; D104-R132 IonicContact OD2-NH2 2.76Å; D104-R132 PolarHBondContact OD2-NH2 3.04Å; L107-R132 HydrophobicContact CD1-CB 3.95Å; L107-R132 HydrophobicContact CD1-CG 3.78Å; H120-R132 WeakPolarHBondContact ND1-CD 3.48Å; H120-R132 PolarHBondContact ND1-NH1 3.22Å; T122-R132 PolarHBondContact O-NH1 3Å; T122-R132 PolarHBondContact O-NH2 3.13Å; K128-R132 WeakPolarHBondContact O-CB 3.33Å; K128-R132 PolarHBondContact O-N 2.87Å; F129-R132 WeakPolarHBondContact O-CB 3.35Å; F129-R132 PolarHBondContact O-N 3.13Å; R132-W135 PolarHBondContact O-N 3.04Å; R132-L136 HydrophobicContact CG-CD1 4Å; R132-L136 WeakPolarHBondContact O-CG 3.43Å; R132-L136 PolarHBondContact O-N 3.27Å
133L82.6Confident75.8Confident44 Ų4478.6 Ų78.623%0.2338%0.379CS..Hα-helixtrans-66.2-36.9177.2-68.1-175.1000112.4F21 F129 E130 E131 L136 S137F21-L133 HydrophobicContact CE1-CD1 4.38Å; F21-L133 HydrophobicContact CE1-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CD1 3.85Å; F21-L133 HydrophobicContact CZ-CD2 3.64Å; F21-L133 HydrophobicContact CZ-CG 4.41Å; F129-L133 HydrophobicContact CD1-CD1 4.07Å; F129-L133 HydrophobicContact CD1-CG 4.42Å; F129-L133 HydrophobicContact CE1-CD1 3.72Å; F129-L133 HydrophobicContact CE1-CG 4.18Å; F129-L133 HydrophobicContact CE2-CD2 4.42Å; F129-L133 HydrophobicContact CZ-CD1 4.17Å; F129-L133 HydrophobicContact CZ-CD2 4.13Å; F129-L133 HydrophobicContact CZ-CG 4.25Å; F129-L133 WeakPolarHBondContact O-CG 3.18Å; F129-L133 PolarHBondContact O-N 3.4Å; E130-L133 PolarHBondContact O-N 3.25Å; E131-L133 PolarHBondContact O-N 2.81Å; L133-L136 HydrophobicContact CD2-CD1 4.48Å; L133-L136 PolarHBondContact O-N 3.12Å; L133-S137 PolarHBondContact O-N 3.24Å
134K79.6Confident75.8Confident151 Ų15177.3 Ų77.366%0.65737%0.371SS*.Hα-helixtrans-59.1-48.1174.6-175.7177.5178.2-178.40110.9E130 E131 S137E130-K134 WeakPolarHBondContact O-CB 3.38Å; E130-K134 PolarHBondContact O-N 3.08Å; E131-K134 WeakPolarHBondContact O-CB 3.3Å; E131-K134 PolarHBondContact O-N 3.01Å; K134-S137 PolarHBondContact O-N 3.28Å; K134-S137 PolarHBondContact O-OG 2.89Å
135W79.8Confident76.2Confident110 Ų11077.1 Ų77.142%0.41737%0.369SS..Hα-helixtrans-60.1-47173.2-75.4111.3000112.2L107 E108 E131 R132 S137 I138 S139L107-W135 HydrophobicContact CB-CB 4.03Å; L107-W135 HydrophobicContact CB-CG 4.02Å; E108-W135 HydrophobicContact CB-CH2 3.88Å; E108-W135 HydrophobicContact CB-CZ2 3.9Å; E108-W135 HydrophobicContact CB-CZ3 4.32Å; E131-W135 VanDerWaalsContact O-CD1 3.23Å; E131-W135 PolarHBondContact O-N 2.84Å; E131-W135 VanDerWaalsContact O-N 3.08Å; R132-W135 PolarHBondContact O-N 3.04Å; W135-S137 VanDerWaalsContact C-N 3.31Å; W135-S137 PolarHBondContact O-N 2.89Å; W135-I138 WeakPolarHBondContact O-CB 3.45Å; W135-I138 PolarHBondContact O-N 3.07Å; W135-S139 WeakPolarHBondContact O-CB 3.46Å; W135-S139 PolarHBondContact O-N 3.17Å; W135-S139 PolarHBondContact O-OG 2.82Å
136L80.1Confident76.6Confident3 Ų371.6 Ų71.62%0.01634%0.344CS..Hα-helixtrans-64.4-30.7-179.9-68166.6000114I53 V118 R132 L133 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.75Å; I53-L136 HydrophobicContact CD1-CD2 3.92Å; I53-L136 HydrophobicContact CD1-CG 4.35Å; V118-L136 HydrophobicContact CG1-CD1 4.08Å; V118-L136 HydrophobicContact CG1-CD2 4.31Å; V118-L136 HydrophobicContact CG2-CD2 4.36Å; R132-L136 HydrophobicContact CG-CD1 4Å; R132-L136 WeakPolarHBondContact O-CG 3.43Å; R132-L136 PolarHBondContact O-N 3.27Å; L133-L136 HydrophobicContact CD2-CD1 4.48Å; L133-L136 PolarHBondContact O-N 3.12Å; L136-I138 PolarHBondContact O-N 2.95Å; L136-S139 PolarHBondContact O-N 3.03Å; L136-A140 HydrophobicContact CD2-CB 4.15Å; L136-A140 CarbonylContact O-C 3.53Å; L136-A140 WeakPolarHBondContact O-CA 3.39Å; L136-A140 PolarHBondContact O-N 3.13Å; L136-M145 HydrophobicContact CB-CE 4.37Å
137S72.9Confident77.3Confident73 Ų7366.2 Ų66.251%0.5132%0.315SS..Hα-helixtrans-65.9-24.4173.872.90000113.7L133 K134 W135L133-S137 PolarHBondContact O-N 3.24Å; K134-S137 PolarHBondContact O-N 3.28Å; K134-S137 PolarHBondContact O-OG 2.89Å; W135-S137 VanDerWaalsContact C-N 3.31Å; W135-S137 PolarHBondContact O-N 2.89Å
138I69.1Low77.9Confident86 Ų8660.7 Ų60.744%0.44129%0.286SS..Hα-helixtrans-84.8-46.4170.9-59.5165.8000109.5W135 L136W135-I138 WeakPolarHBondContact O-CB 3.45Å; W135-I138 PolarHBondContact O-N 3.07Å; L136-I138 PolarHBondContact O-N 2.95Å
139S66.6Low77.9Confident3 Ų357.9 Ų57.92%0.02128%0.277CS..Hα-helixtrans-90.4-23.4-164.1-64.80000116.5G111 V113 W135 L136G111-S139 VanDerWaalsContact O-CA 3.26Å; G111-S139 WeakPolarHBondContact O-CA 3.34Å; G111-S139 WeakPolarHBondContact O-CB 3.35Å; G111-S139 PolarHBondContact O-OG 2.81Å; V113-S139 CarbonylContact C-O 3.53Å; V113-S139 VanDerWaalsContact CG2-O 3.26Å; V113-S139 WeakPolarHBondContact CG2-O 3.37Å; V113-S139 PolarHBondContact N-O 3.02Å; W135-S139 WeakPolarHBondContact O-CB 3.46Å; W135-S139 PolarHBondContact O-N 3.17Å; W135-S139 PolarHBondContact O-OG 2.82Å; L136-S139 PolarHBondContact O-N 3.03Å
140A65.6Low76.8Confident3 Ų360.1 Ų60.13%0.02529%0.293CS..SBendtrans-146.259.8-169.300000111.7A115 V118 L136 A143A115-A140 HydrophobicContact CB-CB 4.23Å; V118-A140 HydrophobicContact CG2-CB 4.21Å; L136-A140 HydrophobicContact CD2-CB 4.15Å; L136-A140 CarbonylContact O-C 3.53Å; L136-A140 WeakPolarHBondContact O-CA 3.39Å; L136-A140 PolarHBondContact O-N 3.13Å; A140-A143 HydrophobicContact CB-CB 4.48Å; A140-A143 PolarHBondContact O-N 2.83Å
141R63.2Low75.5Confident195 Ų19557.8 Ų57.874%0.73629%0.289SS*.THydrogen-bonded Turntrans-61.3136.6-176.9-68.2-176.5176-175.1-0.1112A143R141-A143 PolarHBondContact O-N 2.89Å
142N66Low73.8Confident172 Ų17256.7 Ų56.792%0.9229%0.287SS*.THydrogen-bonded Turntrans63.114.1177.2-52.7-16.6000116.2
143A76.6Confident71.5Confident7 Ų763.9 Ų63.96%0.05832%0.32CS..PPolyproline II helixtrans-64.7143.7172.700000112A115 V118 A140 R141 M145A115-A143 VanDerWaalsContact O-CB 3.29Å; A115-A143 WeakPolarHBondContact O-CB 3.16Å; V118-A143 HydrophobicContact CG2-CB 3.86Å; A140-A143 HydrophobicContact CB-CB 4.48Å; A140-A143 PolarHBondContact O-N 2.83Å; R141-A143 PolarHBondContact O-N 2.89Å; A143-M145 HydrophobicContact CB-CE 4.29Å
144E81.9Confident69.2Low47 Ų4770.3 Ų70.322%0.2235%0.349CS..EExtended strand (participates in β ladder)trans-67.8132.9164.2-176.7171.1-14400108.9M1 K13 R43 N116 L117 V118M1-E144 VanDerWaalsContact CE-OE1 3.27Å; M1-E144 WeakPolarHBondContact CE-OE1 3.47Å; M1-E144 WeakPolarHBondContact CE-OE2 3.34Å; K13-E144 IonicContact NZ-OE1 2.81Å; K13-E144 PolarHBondContact NZ-OE1 2.94Å; R43-E144 IonicContact CZ-OE2 2.69Å; R43-E144 IonicContact NH2-OE2 2.8Å; R43-E144 PolarHBondContact NH2-OE2 3.14Å; N116-E144 PolarHBondContact O-N 2.85Å; L117-E144 WeakPolarHBondContact CA-O 3.47Å; L117-E144 HydrophobicContact CD1-CB 4.05Å; L117-E144 HydrophobicContact CD1-CG 4.2Å; V118-E144 PolarHBondContact N-O 2.88Å
145M86.3Confident66.9Low9 Ų969.2 Ų69.24%0.04435%0.351CS..EExtended strand (participates in β ladder)trans-101.1123.6177.1-60.6-72.6167.800109.4T19 T20 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.39Å; T19-M145 HydrophobicContact CG2-CE 4.2Å; T19-M145 HydrophobicContact CG2-CG 3.42Å; T19-M145 VanDerWaalsContact CG2-CG 3.42Å; T20-M145 PolarHBondContact O-N 2.92Å; F21-M145 HydrophobicContact CD1-CB 3.39Å; F21-M145 HydrophobicContact CD1-CG 3.94Å; F21-M145 HydrophobicContact CE1-CB 3.61Å; F21-M145 HydrophobicContact CE1-CG 3.61Å; F21-M145 HydrophobicContact CE1-SD 4.34Å; F21-M145 HydrophobicContact CG-CB 4.07Å; F21-M145 HydrophobicContact CZ-CB 4.45Å; F21-M145 HydrophobicContact CZ-CG 4.1Å; T22-M145 PolarHBondContact N-O 3.08Å; V118-M145 HydrophobicContact CB-CE 4.38Å; V118-M145 HydrophobicContact CB-SD 3.67Å; V118-M145 HydrophobicContact CG1-SD 3.98Å; V118-M145 HydrophobicContact CG2-CE 4.34Å; V118-M145 HydrophobicContact CG2-SD 4.27Å; L136-M145 HydrophobicContact CB-CE 4.37Å; A143-M145 HydrophobicContact CB-CE 4.29Å
146L87.3Confident64.7Low14 Ų1472.2 Ų72.27%0.07337%0.369CS..EExtended strand (participates in β ladder)trans-113.2129.9171.7178.963.4000108.9T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 4.2Å; T22-L146 CarbonylContact O-C 3.52Å; T22-L146 WeakPolarHBondContact O-CA 3.43Å; A24-L146 HydrophobicContact CB-CD1 4.15Å; F35-L146 HydrophobicContact CE1-CD2 4.3Å; T39-L146 HydrophobicContact CG2-CD2 4.28Å; L117-L146 HydrophobicContact CD1-CB 4.24Å; V118-L146 PolarHBondContact O-N 2.84Å; I119-L146 CarbonylContact C-O 3.58Å; I119-L146 WeakPolarHBondContact CA-O 3.35Å; I119-L146 HydrophobicContact CD1-CD2 4.19Å; I119-L146 HydrophobicContact CG1-CB 4.25Å; I119-L146 HydrophobicContact CG1-CD2 4.17Å; I119-L146 HydrophobicContact CG2-CB 4.31Å; I119-L146 HydrophobicContact CG2-CD2 4.04Å; I119-L146 HydrophobicContact CG2-CG 4.17Å; H120-L146 PolarHBondContact N-O 3.18Å
147V87.3Confident62.5Low0 Ų080.8 Ų80.80%041%0.407CS..EExtended strand (participates in β ladder)trans-118.3123.8178.1179.40000108.3F21 T22 Y23 A24 H120 L123 T149F21-V147 HydrophobicContact CD1-CG2 4.16Å; T22-V147 PolarHBondContact O-N 3.38Å; Y23-V147 HydrophobicContact CD1-CB 3.7Å; Y23-V147 HydrophobicContact CD1-CG1 3.64Å; Y23-V147 HydrophobicContact CD1-CG2 4.28Å; Y23-V147 HydrophobicContact CE1-CB 3.83Å; Y23-V147 HydrophobicContact CE1-CG1 3.62Å; Y23-V147 HydrophobicContact CE1-CG2 3.96Å; Y23-V147 HydrophobicContact CG-CB 4.25Å; A24-V147 PolarHBondContact N-O 3.1Å; H120-V147 HydrophobicContact CB-CG2 4.38Å; L123-V147 HydrophobicContact CD1-CG1 3.7Å; L123-V147 HydrophobicContact CD2-CG1 3.73Å; L123-V147 HydrophobicContact CG-CG1 3.84Å; V147-T149 HydrophobicContact CG1-CG2 4.37Å
148I86.4Confident60.5Low7 Ų786.8 Ų86.84%0.03643%0.426CS..EExtended strand (participates in β ladder)trans-100.9114174.9-61.6178.9000108.5A24 P26 F35 L36 I119 H120A24-I148 WeakPolarHBondContact O-CA 3.35Å; P26-I148 HydrophobicContact CG-CG2 4.06Å; F35-I148 HydrophobicContact CD1-CD1 4.11Å; F35-I148 HydrophobicContact CE1-CD1 4.33Å; F35-I148 HydrophobicContact CE1-CG1 4.38Å; L36-I148 HydrophobicContact CB-CD1 4.16Å; L36-I148 HydrophobicContact CD1-CD1 3.99Å; L36-I148 HydrophobicContact CG-CD1 4.49Å; I119-I148 HydrophobicContact CG2-CD1 4.07Å; I119-I148 HydrophobicContact CG2-CG1 4.38Å; H120-I148 PolarHBondContact O-N 2.83Å
149T77.6Confident58.6Low35 Ų3585.4 Ų85.422%0.21543%0.434CS..  trans-97.5119.6171.357.50000108.7Y23 A24 S25 P26 L123 V147Y23-T149 HydrophobicContact CD1-CG2 4.29Å; A24-T149 PolarHBondContact O-N 2.99Å; A24-T149 PolarHBondContact O-OG1 2.9Å; S25-T149 WeakPolarHBondContact CA-O 3.49Å; S25-T149 WeakPolarHBondContact CA-OG1 3.42Å; S25-T149 WeakPolarHBondContact CB-OG1 3.28Å; S25-T149 PolarHBondContact OG-OG1 3.07Å; P26-T149 WeakPolarHBondContact CD-O 3.4Å; L123-T149 HydrophobicContact CD1-CG2 4.05Å; V147-T149 HydrophobicContact CG1-CG2 4.37Å
150P59.7Low56.9Low67 Ų6795.7 Ų95.744%0.43548%0.478SS..  trans-65.5145.616929.6-33.7000110.5
151C50.8Low55Low64 Ų6498.4 Ų98.443%0.43251%0.506SS..  trans-82.9106161.4-82.80000109.2E153C151-E153 PolarHBondContact O-N 3.12Å
152D44.1Very low53.4Low100 Ų10097.9 Ų97.954%0.53551%0.512SS..  trans-90.185.5177.2-61.6-32.5000110.5E154 N155D152-E154 PolarHBondContact O-N 3.21Å; D152-N155 PolarHBondContact O-N 3.03Å
153E37.9Very low51.6Low152 Ų15296 Ų9671%0.7151%0.507SS*.THydrogen-bonded Turntrans-61.5-5.1177.5-67.7-171.2170.100114.2C151C151-E153 PolarHBondContact O-N 3.12Å
154E34.5Very low49.2Very low178 Ų178104.9 Ų104.983%0.83255%0.547SS*.THydrogen-bonded Turntrans-75.2-23.8175.5-60.5-166.6142.300112.7D152D152-E154 PolarHBondContact O-N 3.21Å
155N31Very low46.5Very low129 Ų129108.4 Ų108.469%0.6957%0.574SS**G310 helixtrans-80.1-15.4-177.3-75.1-51.2000114.9D152 K157D152-N155 PolarHBondContact O-N 3.03Å; N155-K157 VanDerWaalsContact C-N 3.28Å; N155-K157 PolarHBondContact O-N 3.47Å
156E33.9Very low43.5Very low173 Ų173117.2 Ų117.281%0.80862%0.615SS**G310 helixtrans-82.11.3179.9-68.3-163.2156.700114.3
157K33.4Very low40.7Very low183 Ų183124.2 Ų124.280%0.79665%0.651SS**G310 helixtrans-101.1-12.2-177.6-74.2175-176159.70115.4N155N155-K157 VanDerWaalsContact C-N 3.28Å; N155-K157 PolarHBondContact O-N 3.47Å
158E31.5Very low37.6Very low198 Ų198130.6 Ų130.693%0.92569%0.69SS**SBendtrans-104.349.7169.2-63.4-158.4144.500111.6
159G29.2Very low34.7Very low58 Ų58138.5 Ų138.560%0.59873%0.727SS**  trans-143.312.5-172.300000116.8G161G159-G161 VanDerWaalsContact C-N 3.31Å; G159-G161 PolarHBondContact O-N 3.39Å
160K30.4Very low32.1Very low219 Ų219146.2 Ų146.295%0.95276%0.76SS**  trans-82.174.2177-78.2-166.2172.4-175.10112.5
161G27Very low30.3Very low59 Ų59154.2 Ų154.261%0.60878%0.781SS**  trans-141.2108173.400000112.7G159G159-G161 VanDerWaalsContact C-N 3.31Å; G159-G161 PolarHBondContact O-N 3.39Å
162E29.2Very low28.9Very low185 Ų185159.6 Ų159.686%0.86480%0.802SS**  trans62.8105.1154.8-53.7-168.7147.900120.6
163T27Very low28.2Very low132 Ų132159.4 Ų159.481%0.8181%0.807SS**  trans60.1119.6143.548.10000121.9
164E26.3Very low27.5Very low193 Ų193158.9 Ų158.990%0.90281%0.808SS**  trans-62.7149.1147.4-61.6177.312300111.2
165P26Very low26.8Very low122 Ų122158.8 Ų158.879%0.79281%0.805SS**  trans-129.316213637.2-29.7000113.4
166E22.5Very low26.4Very low194 Ų194158.4 Ų158.491%0.90781%0.807SS**  trans-80.2173.6-166.1-61.8178106.900116.3
167I28.4Very low25.9Very low160 Ų160157.1 Ų157.182%0.82181%0.806SS**  trans-64.3131.1-176.3-58.8159.8000112.9
168V22.5Very low25.4Very low134 Ų134152.8 Ų152.881%0.81280%0.804SS**  trans-131.5130.9156.7-178.70000110.6
169Q26.1Very low25Very low174 Ų174150 Ų15081%0.81379%0.794SS**  trans-81.8140.5175.5-61175.2-6.300111.7
170Q23.8Very low24.8Very low197 Ų197154 Ų15492%0.92180%0.802SS**  trans-151.9157.9149.5-115.5163.652.700112.6
171R20.8Very low24.6Very low234 Ų234148 Ų14888%0.88379%0.788SS**  trans-107.1147.2-167-65.5169.5165.6166.9-6.6111.7
172M21Very low24.4Very low177 Ų177152.3 Ų152.387%0.87279%0.794SS**  trans30171.1134.2-62.9-174.590.600121.6
173P31.1Very low24.2Very low97 Ų97150.9 Ų150.963%0.6379%0.787SS**  cis-120.7-172-16.119.57000110.7
174L21.4Very low23.9Very low140 Ų140151.2 Ų151.273%0.73378%0.783SS**  -178.113670.1-84.7167000108.1
175K20.4Very low23.8Very low176 Ų176151.5 Ų151.577%0.76578%0.778SS**  60.9123.392-71.2-163.9173.1-170.40115.2
176V21.9Very low23.7Very low121 Ų121153 Ų15373%0.73377%0.774SS**  69.3129.661.1174.30000110.8
177D23.2Very low23.8Very low147 Ų147150.8 Ų150.879%0.78677%0.767SS**  cis-113.7-137.318.8-139-40000113.4
178A24.6Very low23.6Very low91 Ų91150.6 Ų150.675%0.75276%0.76SS**  cis-154.7-164.611.500000113.7
179L23.1Very low23.8Very low139 Ų139150.3 Ų150.373%0.72875%0.75SS**  trans-115.3155.8-166.5-117.666.3000115.1
180N24.4Very low23.7Very low142 Ų142149.5 Ų149.576%0.75975%0.751SS**  trans64.7156.7145-70.5-2.5000120.6
181S25.9Very low23.8Very low93 Ų93146.3 Ų146.365%0.6575%0.745SS**  cis-172.2152.7-17.350.90000112.8
182M23.5Very low25Very low150 Ų150140.5 Ų140.574%0.73974%0.738SS**  trans71.1135.3151.1-78.1175.161.600123.5
183Q23.9Very low26.4Very low155 Ų155136.9 Ų136.972%0.72473%0.728SS**  trans73.5110.1142.8-73.4-179.2-28.700123.4
184L22.1Very low26.2Very low139 Ų139138.7 Ų138.773%0.72874%0.737SS**  37.4116.8115.3-80.6148.8000119.7
185Y22.6Very low26.5Very low199 Ų199136.8 Ų136.878%0.7874%0.735SS**  -165.1177.690.2-119.1-84.5000113
186E24.3Very low26.8Very low153 Ų153132.3 Ų132.372%0.71573%0.726SS**  trans-84.3172-173.5-50.4161.4111.900114
187I25Very low27.2Very low148 Ų148134.6 Ų134.676%0.75973%0.729SS**  172.1119.9119.5-90.4166.6000112
188K24.6Very low27.5Very low156 Ų156132.7 Ų132.768%0.67872%0.719SS**  trans41.6158.7132.5-63.6167.1154.9-94.90121.4
189E25.8Very low27.6Very low129 Ų129136.4 Ų136.460%0.60372%0.715SS**  cis-164.9155.9-7.2-115.5159.1167.200109.8
190N23.9Very low27.7Very low157 Ų157137.8 Ų137.884%0.8472%0.715SS**  155.5120.9121.6-82.2-59.6000115
191T25.4Very low27.8Very low130 Ų130135.3 Ų135.380%0.79871%0.714SS**  trans-99.4-160.5161.2-0.10000108.1
192P47.8Very low27.9Very low112 Ų112139.8 Ų139.873%0.72773%0.725SS**  cis-125.4-134.3-24.429.1-2.8000108.3
193P49.3Very low28.1Very low101 Ų101136.8 Ų136.866%0.65672%0.724SS**  cis-138.1-162.3-14.635-10.9000116.3
194T26.2Very low28.3Very low135 Ų135136 Ų13683%0.82872%0.724SS**  trans77.6140.2166.655.70000118.6
195S28Very low28.6Very low99 Ų99134.5 Ų134.569%0.69272%0.721SS**  cis-158.5139.4-12.1570000110.3
196S27.9Very low28.9Very low83 Ų83131.7 Ų131.758%0.5872%0.718SS**  89.5129.210066.60000117.5
197E29.7Very low29.1Very low169 Ų169131.5 Ų131.579%0.7972%0.722SS**  trans72.3147.5143.2-70.5155.4-159.600118.9
198D28.5Very low29.2Very low106 Ų106129.2 Ų129.257%0.56772%0.719SS**  cis-157.5166.60.9-132.5-21000118.2
199Y26.7Very low29.2Very low170 Ų170126.1 Ų126.167%0.66772%0.722SS**  trans38.1132.9154.3-69.6-48.2000127.6
200K26Very low29.2Very low167 Ų167124.6 Ų124.673%0.72673%0.732SS**  trans64.2134.4133.1-66.3165-174.1164.40119.8
201A27.3Very low29.2Very low91 Ų91123.5 Ų123.575%0.75273%0.731SS**  cis83.8106.714.600000118.4
202E26.9Very low29.9Very low187 Ų187122.8 Ų122.887%0.87473%0.728SS**  trans-159.7132.8143.8-103.1160-154.900104.5
203A27.2Very low28.8Very low86 Ų86121.6 Ų121.671%0.71173%0.728SS**  cis74.9140.637.900000111.9
204D28.9Very low27.6Very low138 Ų138122.7 Ų122.774%0.73873%0.733SS**  cis-163.4-1759.6-151.1-14000112.4
205V28.4Very low27.8Very low109 Ų109123.7 Ų123.766%0.66173%0.732SS**  trans71.7141.5141.7158.70000118.5
206L29.2Very low27.9Very low139 Ų139124.8 Ų124.873%0.72874%0.737SS**  cis-167.5174-22.3-88.2-171.5000104.6
207L28.5Very low27.9Very low150 Ų150127.3 Ų127.379%0.78574%0.744SS**  cis-156.2-176.3-3.6-122.6179.7000104.2
208S26.5Very low27.7Very low100 Ų100126.5 Ų126.570%0.69975%0.745SS**  cis-159.7-177.2-0.760.70000105.7
209A25.8Very low27.7Very low90 Ų90127.7 Ų127.774%0.74475%0.751SS**  cis-159.2166.7-6.300000105.6
210A24.9Very low27.6Very low98 Ų98129.6 Ų129.681%0.8176%0.763SS**  cis-153.3168.6-800000109.7
211T24.9Very low27.6Very low133 Ų133130.6 Ų130.682%0.81677%0.77SS**  trans-90.6-172.6-177.213.10000113
212P38.4Very low27.4Very low115 Ų115135.8 Ų135.875%0.74778%0.779SS**  cis-136.5-158.2-17.830.9-7.2000113.6
213A25.1Very low27.3Very low87 Ų87135 Ų13572%0.71978%0.775SS**  trans89.1136.814700000119
214T25.5Very low27.1Very low124 Ų124139.2 Ų139.276%0.76178%0.784SS**  cis-157.2150-15.4-80.10000108.4
215I29.1Very low26.9Very low156 Ų156138.8 Ų138.880%0.878%0.782SS**  trans-104.5135.6167.6-61.4167.7000109.4
216P30.2Very low26.7Very low123 Ų123141.9 Ų141.980%0.79979%0.793SS**  trans-121.4143.1135.134.7-27.2000110.8
217N27.3Very low26.4Very low136 Ų136139 Ų13973%0.72779%0.785SS**  trans-110.2131.5175.8-176.753.2000108
218D25.6Very low26.3Very low152 Ų152138 Ų13881%0.81379%0.785SS**  trans-157.8155.8161-132.2-28000113.2
219N28.7Very low26.5Very low131 Ų131142 Ų14270%0.70179%0.792SS**  trans-94.8147.1-163.9-59.6-77.8000114.1
220K24.6Very low26.8Very low210 Ų210144.1 Ų144.191%0.91379%0.792SS**  -165.8144.6127.8-110.8163.8-174175.80113.5
221E26.9Very low27Very low188 Ų188144 Ų14488%0.87979%0.791SS**  trans-82.4145.2173.4-58161.5124.600110.7
222Q23.7Very low27.2Very low199 Ų199143.6 Ų143.693%0.9379%0.788SS**  trans-162140.9136.3-116.1171.9-1.700111.5
223E23.2Very low26.8Very low172 Ų172146.8 Ų146.880%0.80479%0.793SS**  trans-81.3142.4179.9-52.8163.8102.400111.4
224I24.8Very low27Very low173 Ų173152.5 Ų152.589%0.88780%0.802SS**  trans-138.4128.1146.7-65.4-171.6000107.9
225N22.7Very low27.2Very low130 Ų130154.5 Ų154.570%0.69581%0.807SS**  trans-87.9179.2176.5-87.2-68.3000112.1
226L25.2Very low27.1Very low173 Ų173155.2 Ų155.291%0.90681%0.811SS**  trans95.8141.9175.7-55.9160.2000113.8
227S23.8Very low26.8Very low79 Ų79153.9 Ų153.955%0.55281%0.811SS**  cis174.5129.8-19.7173.40000104.1
228V26.4Very low26.7Very low130 Ų130152.3 Ų152.379%0.78881%0.81SS**  trans-141.965.7165.3-168.60000108.9D230V228-D230 HydrophobicContact CG1-CB 4.43Å; V228-D230 PolarHBondContact O-N 3.17Å
229E30.8Very low26.6Very low182 Ų182154.4 Ų154.485%0.8581%0.813SS**  trans-75.562.5160-67.8-175.4120.900109.9
230D31.3Very low26.3Very low136 Ų136157 Ų15773%0.72782%0.82SS**  trans-150.260.6179.6-156.4-4.7000112.8V228V228-D230 HydrophobicContact CG1-CB 4.43Å; V228-D230 PolarHBondContact O-N 3.17Å
231A28.5Very low26.3Very low96 Ų96155.4 Ų155.479%0.79382%0.821SS**SBendtrans-149.3-7.4172.800000114.6
232T28.7Very low26.2Very low123 Ų123150.2 Ų150.276%0.75582%0.818SS**SBendtrans-109.6-3.2-168.135.50000114.8K234T232-K234 PolarHBondContact O-N 2.6Å
233E30.9Very low26.2Very low183 Ų183145.6 Ų145.686%0.85581%0.807SS**THydrogen-bonded Turntrans-91.420.9-172.2-146.4-173.4-14000115.3
234K30Very low26.2Very low207 Ų207143.2 Ų143.290%0.981%0.805SS**THydrogen-bonded Turntrans-129.810.4-177.3-88-179.2179.71640117.5T232T232-K234 PolarHBondContact O-N 2.6Å
235L28.4Very low26.3Very low166 Ų166141.8 Ų141.887%0.86980%0.799SS**SBendtrans-134.24.2178-79.1174.1000116.1
236L27Very low26.4Very low170 Ų170140.8 Ų140.889%0.8980%0.802SS**  trans-126.860.2178.6-71.1174.8000112.1
237A24Very low26.3Very low96 Ų96137.2 Ų137.279%0.79380%0.798SS**  trans-141.959.5177.100000112.3
238S24.6Very low26.4Very low102 Ų102138.1 Ų138.171%0.71381%0.81SS**SBendtrans-173.4148.4154.332.20000112.5
239F23.4Very low26.3Very low197 Ų197137.8 Ų137.886%0.86481%0.808SS**  trans78.658.7170.5-54.9-70.1000120
240E22.8Very low26.1Very low185 Ų185136.2 Ų136.286%0.86481%0.805SS**  -119.9120126.5-68.5-167.514500106.9
241L25.9Very low25.7Very low177 Ų177138 Ų13893%0.92781%0.809SS**  81.1114.873.1-105.4167.6000113.8
242G23.4Very low25.6Very low78 Ų78138.9 Ų138.980%0.80481%0.81SS**  trans173.3128.2176.200000111.6
243S23.5Very low25.4Very low102 Ų102138.2 Ų138.271%0.71381%0.81SS**  trans-137.4174.1-179.455.40000110.9
244T24.8Very low26Very low122 Ų122135.2 Ų135.275%0.74881%0.806SS**  trans74.5145.5180750000114.9
245D26.3Very low25.7Very low144 Ų144130.4 Ų130.477%0.7781%0.805SS**  cis-155.3166.5-17.1-114.6-33.2000114.6
246S24.5Very low25.6Very low108 Ų108127.5 Ų127.576%0.75581%0.805SS**  trans3137.3164.9650000123.8
247A23.7Very low25.5Very low99 Ų99124.1 Ų124.182%0.81880%0.802SS**  -174.699.4127.400000116.4
248A24.5Very low25.6Very low98 Ų98128 Ų12881%0.8180%0.801SS**  trans26.8159.1141.400000127.5
249V26.2Very low25.6Very low123 Ų123132.6 Ų132.675%0.74581%0.808SS**  trans96.8105.8154-169.40000119.9
250D24.7Very low25.6Very low148 Ų148130.5 Ų130.579%0.79181%0.806SS**  trans41.1160.1136.5-52.1-33.6000122.7
251E24.8Very low25.8Very low173 Ų173126.2 Ų126.281%0.80880%0.803SS**  cis-154.1169.68.6-149-179.7-162.900112.7
252S25.1Very low26Very low115 Ų115123.7 Ų123.780%0.80480%0.797SS**  trans83.9163.4152830000122
253S24.3Very low26.1Very low110 Ų110126.9 Ų126.977%0.76980%0.8SS**  trans-151.4-170.6-171.3-145.60000107.5
254P43.5Very low26.2Very low119 Ų119132.3 Ų132.377%0.77381%0.806SS**  cis-137.4-179.4-7.743.3-26.8000114.9
255A24.6Very low26.1Very low106 Ų106137 Ų13788%0.87681%0.812SS**  trans-177.2147.9137.700000111.9
256A26.7Very low27Very low105 Ų105135 Ų13587%0.86881%0.807SS**  trans-124158.1-167.200000115.3
257A24.4Very low26.8Very low99 Ų99138.8 Ų138.882%0.81881%0.81SS**  trans-156.291.5156.100000114.8
258K26.1Very low26.8Very low177 Ų177139.1 Ų139.177%0.7780%0.802SS**  trans16.6137.8145.6-58.5175.1-178.9175.30121
259F24.1Very low26.9Very low199 Ų199140.7 Ų140.787%0.87380%0.801SS**  -162.9167.992.2-114.7-84.2000112.9
260N24.6Very low26.8Very low153 Ų153143.7 Ų143.782%0.81881%0.807SS**  trans-105.8162-160.5-67.5-5.4000115.5
261A26.7Very low27Very low96 Ų96144.1 Ų144.179%0.79381%0.81SS**  trans-102.5162.816600000112.6
262P28.8Very low27.4Very low124 Ų124141.6 Ų141.681%0.80581%0.808SS**  trans-108.1165169.438.1-30.4000114.3
263V26.2Very low27.5Very low145 Ų145142.4 Ų142.488%0.87981%0.809SS**  trans-105.2166.9-176.1177.90000110.9
264Y25.2Very low28.1Very low215 Ų215147 Ų14784%0.84382%0.815SS**  trans-125.4166.1-176-123.1-93.2000114.3
265Y23.5Very low27.7Very low220 Ų220146 Ų14686%0.86381%0.811SS**  trans97.8149.7-177.4-62.6-61.4000115.6
266P44.2Very low28.1Very low102 Ų102147.6 Ų147.666%0.66280%0.804SS**  cis-134.9176.4-41.534.9-17.4000113.1
267F22.1Very low28.5Very low188 Ų188149.2 Ų149.283%0.82580%0.798SS**  trans154117.3138.3-99.7-100.3000115.4
268V23.4Very low28.9Very low107 Ų107147.8 Ų147.865%0.64879%0.786SS**  61.1116.4126171.80000123.5
269T25.6Very low29.4Very low130 Ų130146 Ų14680%0.79878%0.781SS**  trans65.3158.6152.754.60000120
270E24.5Very low29.9Very low186 Ų186143.7 Ų143.787%0.86977%0.771SS**  cis-13017911-72.6-173.9123.800114
271N28.8Very low30.4Very low158 Ų158142.6 Ų142.685%0.84576%0.76SS**  trans-85.6146.9169.1-72.5-61000111.3
272P32.5Very low30.8Very low120 Ų120144.9 Ų144.978%0.77976%0.755SS**  -144178.789.642.4-27000112.5
273T28.4Very low30.9Very low132 Ų132145.2 Ų145.281%0.8175%0.749SS**  cis-149.8156.414.8-31.90000110.7
274K36.9Very low31.3Very low205 Ų205143 Ų14389%0.89174%0.736SS**  trans-78.9135.5170.4-60.6172.5-178.8174.30110.9
275S34.2Very low31.6Very low100 Ų100139.9 Ų139.970%0.69973%0.727SS**  trans-161.7-41.7159.5-160.70000114.7
276L32.7Very low31.8Very low138 Ų138133.3 Ų133.372%0.72371%0.713SS**Hα-helixtrans-84.4-24.7-164.8-80.6156.4000115.8A278L276-A278 PolarHBondContact O-N 3.39Å
277D35.7Very low31Very low139 Ų139137.4 Ų137.474%0.74372%0.721SS**Hα-helixtrans-71.6-10.6178.5-68.6-50.4000114
278A33.8Very low31.2Very low70 Ų70137.1 Ų137.158%0.57972%0.719SS**Hα-helixtrans-75.1-53.9-17900000112L276 F280 Q281 E282L276-A278 PolarHBondContact O-N 3.39Å; A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 3.45Å; A278-Q281 PolarHBondContact O-N 3.31Å; A278-E282 PolarHBondContact O-N 3.07Å
279E34.9Very low31.3Very low139 Ų139138.1 Ų138.165%0.6573%0.725SS**Hα-helixtrans-61.2-39-178.8-64.7-177.7119.600111.7Q281 E282 L283E279-Q281 VanDerWaalsContact C-N 3.28Å; E279-Q281 PolarHBondContact O-N 3.09Å; E279-E282 PolarHBondContact O-N 3.35Å; E279-E282 VanDerWaalsContact O-N 3.12Å; E279-L283 PolarHBondContact O-N 3.33Å
280F34.4Very low31.2Very low151 Ų151139.2 Ų139.266%0.66272%0.721SS**Hα-helixtrans-67.4-27.2-179.7-153.4-97.1000113A278 V284A278-F280 VanDerWaalsContact C-N 3.3Å; A278-F280 PolarHBondContact O-N 3.45Å; F280-V284 WeakPolarHBondContact O-CG2 3.43Å
281Q36.2Very low31.1Very low129 Ų129136.5 Ų136.560%0.60371%0.713SS**Hα-helixtrans-85-13.8173.1-72-15817.600114.2A278 E279 K285A278-Q281 PolarHBondContact O-N 3.31Å; E279-Q281 VanDerWaalsContact C-N 3.28Å; E279-Q281 PolarHBondContact O-N 3.09Å; Q281-K285 WeakPolarHBondContact O-CD 3.43Å; Q281-K285 WeakPolarHBondContact O-CE 3.41Å; Q281-K285 WeakPolarHBondContact O-CG 3.35Å
282E34.2Very low30.8Very low145 Ų145134 Ų13468%0.67870%0.703SS**Hα-helixtrans-82.5-42.5170-127.5176.8-173.300111.1A278 E279 V284 K285A278-E282 PolarHBondContact O-N 3.07Å; E279-E282 PolarHBondContact O-N 3.35Å; E279-E282 VanDerWaalsContact O-N 3.12Å; E282-V284 PolarHBondContact O-N 3.12Å; E282-V284 VanDerWaalsContact O-N 3.14Å; E282-K285 PolarHBondContact O-N 3.27Å
283L31.5Very low30.4Very low130 Ų130136.3 Ų136.368%0.68170%0.701SS**Hα-helixtrans-62.2-23.5178.6-150.2101.1000113.8E279 S286E279-L283 PolarHBondContact O-N 3.33Å; L283-S286 PolarHBondContact O-OG 3.18Å; L283-S286 VanDerWaalsContact O-OG 3.09Å
284V35.6Very low30.2Very low99 Ų99138.7 Ų138.760%0.670%0.7SS**THydrogen-bonded Turntrans-85.1-16.6176.4173.30000112.6F280 E282F280-V284 WeakPolarHBondContact O-CG2 3.43Å; E282-V284 PolarHBondContact O-N 3.12Å; E282-V284 VanDerWaalsContact O-N 3.14Å
285K30.9Very low29.5Very low150 Ų150136.3 Ų136.365%0.65270%0.697SS**THydrogen-bonded Turntrans-85.1-19.5178.6-71.9169-172.5164.80113.5Q281 E282 F287Q281-K285 WeakPolarHBondContact O-CD 3.43Å; Q281-K285 WeakPolarHBondContact O-CE 3.41Å; Q281-K285 WeakPolarHBondContact O-CG 3.35Å; E282-K285 PolarHBondContact O-N 3.27Å; K285-F287 VanDerWaalsContact C-N 3.34Å; K285-F287 PolarHBondContact O-N 3.33Å
286S28Very low29Very low82 Ų82140.8 Ų140.857%0.57371%0.709SS**THydrogen-bonded Turntrans-79.1-8.7-177.357.20000115.2L283L283-S286 PolarHBondContact O-OG 3.18Å; L283-S286 VanDerWaalsContact O-OG 3.09Å
287F27.1Very low28.5Very low188 Ų188141.5 Ų141.583%0.82571%0.714SS**THydrogen-bonded Turntrans-116.723.7-171.2-95-79.3000115.7K285K285-F287 VanDerWaalsContact C-N 3.34Å; K285-F287 PolarHBondContact O-N 3.33Å
288K26.2Very low27.9Very low181 Ų181142.9 Ų142.979%0.78772%0.72SS**SBendtrans-136.3136.4170.3-75.6-173.7174.8178.80111.9
289V24.4Very low27.5Very low128 Ų128144.4 Ų144.478%0.77672%0.724SS**  trans72.9132.9-179.2-167.40000111
290Q24.1Very low27.2Very low154 Ų154143.6 Ų143.672%0.7273%0.731SS**  cis-146.8144.417.8-137.7149.329.200109.5
291N22Very low26.8Very low129 Ų129141.9 Ų141.969%0.6974%0.735SS**  172.4146.289.8-79.6-53.1000106.8
292V23.4Very low26.3Very low106 Ų106141.7 Ų141.764%0.64275%0.745SS**  cis84.1134.814.7-1680000115.8
293F23.1Very low25.7Very low168 Ų168140.4 Ų140.474%0.73775%0.752SS**  trans79.9147.8-178.2-55.4-60.3000116.3
294K24.7Very low25.4Very low182 Ų182140.6 Ų140.679%0.79176%0.758SS**  cis-153.8165.5-0.3-133.1159.2-168.2170.50112.4
295N23.3Very low24.7Very low155 Ų155141 Ų14183%0.82977%0.766SS**  trans-65.4146.1167.5-67.9-12.3000112.1
296M22.8Very low24.5Very low193 Ų193141.7 Ų141.795%0.95178%0.775SS**  trans-140.6143.2152-87.2-168.5166.300110.1
297N22.8Very low24.3Very low154 Ų154146.3 Ų146.382%0.82479%0.787SS**  trans-94.9162.9176-73.1-28.3000111.2
298L22.8Very low24.1Very low167 Ų167146.2 Ų146.287%0.87479%0.789SS**  trans122.6148.1161.5-70.9161.5000112.9
299P25.9Very low24.1Very low102 Ų102143.5 Ų143.566%0.66279%0.79SS**  cis-121.1169.9-43.637.8-25.2000111.2
300P28.2Very low24.1Very low123 Ų123144 Ų14480%0.79979%0.793SS**PPolyproline II helixtrans-78.1134.8-178.630.5-34.6000113.6
301P25.2Very low24.1Very low115 Ų115142.3 Ų142.375%0.74780%0.798SS**PPolyproline II helixtrans-68.9164.2157-14.831000111.4
302P25.2Very low24.2Very low124 Ų124141.5 Ų141.581%0.80580%0.803SS**PPolyproline II helixtrans-75.2144.3-16329.5-36000114.5
303S22.8Very low24.3Very low119 Ų119140.8 Ų140.883%0.83281%0.808SS**PPolyproline II helixtrans-71.5128.3168.552.90000111.8
304V24.1Very low24.3Very low134 Ų134138.2 Ų138.281%0.81281%0.811SS**  trans-119.6115.4155.9178.60000107
305S22.6Very low24.4Very low108 Ų108134.9 Ų134.976%0.75582%0.817SS**  trans-82.1132.7-179.748.40000111.4
306I25.8Very low24.4Very low163 Ų163132.6 Ų132.684%0.83681%0.813SS**  trans-127.4134.2157.4-61.1-179.1000106.2
307E22.7Very low24.6Very low180 Ų180130.8 Ų130.884%0.84181%0.808SS**  trans-88.1136.3-168.7-60.2167.113000111.4
308E23.6Very low24.7Very low185 Ų185134 Ų13486%0.86481%0.81SS**  trans-90119.1162.2-73.3-168.4142.100109.6V310E308-V310 PolarHBondContact O-N 3.35Å
309P26.6Very low24.7Very low124 Ų124137.3 Ų137.381%0.80581%0.811SS**  trans-77.9111.4173.230-32.2000110.7
310V24.1Very low24.7Very low139 Ų139140.4 Ų140.484%0.84282%0.816SS**  trans-64.6135171.9178.20000110.5E308E308-V310 PolarHBondContact O-N 3.35Å
311S25.2Very low24.5Very low118 Ų118142.3 Ų142.383%0.82581%0.814SS**  trans-140.2143.4157.666.20000111.3
312S23.6Very low24.5Very low113 Ų113144.1 Ų144.179%0.7982%0.816SS**  trans-125.5128.6-165.657.40000112.6
313A24.3Very low24.3Very low90 Ų90145.4 Ų145.474%0.74482%0.816SS**  trans-157.5101.8162.700000107.5
314S23.6Very low24.6Very low115 Ų115146.1 Ų146.180%0.80482%0.815SS**  65.3111.88771.30000113.7
315A26.5Very low24.7Very low111 Ų111146 Ų14692%0.91782%0.815SS**  trans-81145.6174.200000112
316S23.7Very low24.9Very low107 Ų107144.7 Ų144.775%0.74881%0.806SS**  trans-154.6132.916757.30000109.9
317D27.6Very low24.9Very low156 Ų156143.7 Ų143.783%0.83480%0.802SS**  trans-60.6140174.9-65-84.2000112.6
318Y24Very low25Very low222 Ų222142.2 Ų142.287%0.87180%0.8SS**  trans-146.2125.6142.1-97.3-72.7000110.8
319R23.9Very low25.1Very low236 Ų236138 Ų13889%0.89179%0.79SS**  trans-82.3137.7163-64.9175.8177.8174-1.8108.5
320H25.4Very low25.1Very low166 Ų166138.5 Ų138.577%0.76979%0.785SS**  trans-148160.7148.6-110.2-71.4000110.8
321Q24.4Very low25.1Very low163 Ų163143.6 Ų143.676%0.76279%0.789SS**  trans-68.3153.4-176.8-60.9113.5-6400112.3
322I23.9Very low25.1Very low153 Ų153142.1 Ų142.179%0.78578%0.775SS**  trans-104.3115.6166.9-62.6173.5000106.9
323D22.3Very low25.3Very low152 Ų152143.1 Ų143.181%0.81378%0.776SS**  trans-72.6136.9168.3-82-47.9000110.3T325D323-T325 PolarHBondContact O-N 3.05Å
324T28.3Very low25.5Very low133 Ų133147.8 Ų147.882%0.81678%0.78SS**  trans-98.662.7-163.355.70000113.9
325T26.9Very low26.2Very low132 Ų132146.5 Ų146.581%0.8176%0.764SS**  trans-150.662.8178.538.80000116.1D323D323-T325 PolarHBondContact O-N 3.05Å
326S25.6Very low26.7Very low81 Ų81145.6 Ų145.657%0.56675%0.751SS**  trans-178.8142.7146.2167.10000110D328S326-D328 PolarHBondContact OG-N 3.46Å; S326-D328 VanDerWaalsContact OG-N 3.16Å; S326-D328 PolarHBondContact OG-OD2 3.17Å
327L26.4Very low27.6Very low142 Ų142144 Ų14474%0.74374%0.738SS**  trans-104.6-1.5174.8-89162.5000113.2S329L327-S329 PolarHBondContact O-N 3.45Å
328D25.4Very low28.4Very low149 Ų149136.7 Ų136.780%0.79770%0.699SS**THydrogen-bonded Turntrans-81.412.9-164.2-48.6-71.6000114.5S326S326-D328 PolarHBondContact OG-N 3.46Å; S326-D328 VanDerWaalsContact OG-N 3.16Å; S326-D328 PolarHBondContact OG-OD2 3.17Å
329S24.6Very low29.1Very low95 Ų95130 Ų13066%0.66469%0.685SS**THydrogen-bonded Turntrans-125.514.6-167.859.60000115.8L327 R331L327-S329 PolarHBondContact O-N 3.45Å; S329-R331 VanDerWaalsContact C-N 3.29Å; S329-R331 PolarHBondContact O-N 2.99Å
330I26.4Very low30.4Very low136 Ų136119.6 Ų119.670%0.69765%0.647SS**  trans-7384.4167.2-53.3-178.4000109.5T332I330-T332 HydrophobicContact CG2-CG2 4.48Å; I330-T332 PolarHBondContact O-N 2.93Å
331R24.4Very low30.8Very low245 Ų245114.3 Ų114.393%0.92563%0.632SS**  trans-67.191.4170.9-74.5-175.3173.8178.6-0.8110.4S329S329-R331 VanDerWaalsContact C-N 3.29Å; S329-R331 PolarHBondContact O-N 2.99Å
332T26.4Very low31.5Very low87 Ų87109.5 Ų109.553%0.53461%0.613SS.*  trans-63.1152.8168.342.40000111.1I330I330-T332 HydrophobicContact CG2-CG2 4.48Å; I330-T332 PolarHBondContact O-N 2.93Å
333V27.3Very low32.2Very low134 Ų134108.4 Ų108.481%0.81261%0.614SS**  trans-57138.9176.3178.20000109.3D335V333-D335 PolarHBondContact O-N 3.28Å
334K29Very low33.1Very low188 Ų188102.4 Ų102.482%0.81758%0.583SS**  trans-53.7114.2178-74.5-174.4174.5-1760110.7S336K334-S336 PolarHBondContact O-N 3.22Å; K334-S336 PolarHBondContact O-OG 3.13Å
335D37.6Very low33.9Very low89 Ų89101.2 Ų101.248%0.47657%0.567SS.*  trans-53.3105.1168.6-82.8-43000108.4V333 H768V333-D335 PolarHBondContact O-N 3.28Å; D335-H768 WeakPolarHBondContact OD2-CB 3.33Å
336S36.4Very low34.6Very low91 Ų9199.7 Ų99.764%0.63656%0.562SS**  trans-82.2143.7-176.9-65.20000109.7K334 A338K334-S336 PolarHBondContact O-N 3.22Å; K334-S336 PolarHBondContact O-OG 3.13Å; S336-A338 PolarHBondContact O-N 2.88Å
337P44.4Very low35.4Very low73 Ų73100.9 Ų100.947%0.47458%0.576SS.*  trans-56.3126.8-171.521.2-33.3000111.5S339P337-S339 PolarHBondContact O-N 3.05Å
338A44Very low37Very low3 Ų396.9 Ų96.93%0.02557%0.569CS.*BIsolated β-bridgetrans-68.8107-17000000110.7S336 L340 L609 Y758 L763S336-A338 PolarHBondContact O-N 2.88Å; A338-L340 PolarHBondContact O-N 3.11Å; A338-L609 PolarHBondContact N-O 2.71Å; A338-Y758 HydrophobicContact CB-CE1 4.03Å; A338-L763 HydrophobicContact CB-CD1 4.45Å
339S38Very low39.3Very low81 Ų8191.6 Ų91.657%0.56655%0.55SS*.  trans-73.995.7177.6-169.10000110.8P337 A341P337-S339 PolarHBondContact O-N 3.05Å; S339-A341 PolarHBondContact O-N 2.81Å; S339-A341 WeakPolarHBondContact OG-CB 3.45Å
340L50.8Low42.1Very low19 Ų1990.6 Ų90.610%0.09954%0.536CS..  trans-7219.5172.9-85.9149.5000113.4A338 V342 V603 G606 V607 L609 L763A338-L340 PolarHBondContact O-N 3.11Å; L340-V342 PolarHBondContact O-N 3.04Å; L340-V603 HydrophobicContact CD2-CB 4.14Å; L340-V603 HydrophobicContact CD2-CG1 3.73Å; L340-V603 HydrophobicContact CD2-CG2 3.99Å; L340-G606 WeakPolarHBondContact O-CA 3.36Å; L340-V607 WeakPolarHBondContact CB-O 3.39Å; L340-V607 WeakPolarHBondContact CD1-O 3.26Å; L340-L609 HydrophobicContact CD1-CB 4.05Å; L340-L763 HydrophobicContact CD1-CD1 4.21Å; L340-L763 HydrophobicContact CD2-CD1 4.26Å; L340-L763 HydrophobicContact CD2-CD2 3.58Å; L340-L763 HydrophobicContact CD2-CG 4.49Å; L340-L763 HydrophobicContact CG-CD1 4.32Å; L340-L763 HydrophobicContact CG-CD2 3.79Å
341A34.3Very low44.9Very low55 Ų5585.2 Ų85.246%0.45551%0.51SS..  trans-89.283.9-17000000113.5S339S339-A341 PolarHBondContact O-N 2.81Å; S339-A341 WeakPolarHBondContact OG-CB 3.45Å
342V39.5Very low47.9Very low61 Ų6175.1 Ų75.137%0.3747%0.472SS..  trans-90157.4152.1-177.40000108.9L340 P344 T577 R734L340-V342 PolarHBondContact O-N 3.04Å; V342-P344 WeakPolarHBondContact O-CD 3.42Å; V342-T577 HydrophobicContact CB-CG2 3.71Å; V342-T577 HydrophobicContact CG1-CG2 3.84Å; V342-T577 HydrophobicContact CG2-CG2 3.71Å; V342-R734 PolarHBondContact O-NH1 3.44Å
343V37.8Very low50.7Low131 Ų13173.3 Ų73.379%0.79446%0.459SS*.  trans-105.6109.9177.4-179.60000110.6
344P42.4Very low53.4Low25 Ų2570.7 Ų70.716%0.16244%0.44CS..  trans-114.7125171.420.7-0.4000112.5V342 V581V342-P344 WeakPolarHBondContact O-CD 3.42Å; P344-V581 HydrophobicContact CB-CG2 4.26Å
345F45.3Very low56.2Low108 Ų10867.4 Ų67.447%0.47442%0.424SS..  trans53.3126.8159.6-63.3-75.4000120.5V581 L585F345-V581 HydrophobicContact CE2-CG1 4.43Å; F345-L585 HydrophobicContact CD2-CD1 4.29Å; F345-L585 HydrophobicContact CE2-CB 4.09Å; F345-L585 HydrophobicContact CE2-CD1 3.95Å
346S40Very low58.4Low101 Ų10165.1 Ų65.171%0.70642%0.421SS*.  trans-64161.6176.251.60000114.5
347A43Very low61Low106 Ų10660.8 Ų60.888%0.87639%0.39SS*.SBendtrans-46.6148.3-175.100000115.9
348G60.7Low63.3Low58 Ų5857.4 Ų57.460%0.59837%0.368SS*.  trans12158.7173.400000114.6
349G72.6Confident65.6Low37 Ų3757.3 Ų57.338%0.38137%0.368SS..  trans-155.6158.1174.900000112.4S361G349-S361 CarbonylContact C-O 3.46Å; G349-S361 WeakPolarHBondContact CA-O 3.43Å
350I83.9Confident68.2Low75 Ų7555.3 Ų55.339%0.38535%0.348SS..EExtended strand (participates in β ladder)trans-103.7126.4-176.3-53.3172.6000109.4Y352 W360 S361 A364I350-Y352 HydrophobicContact CB-CE2 4.13Å; I350-Y352 HydrophobicContact CG2-CE1 4.04Å; I350-Y352 HydrophobicContact CG2-CE2 3.91Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.35Å; I350-W360 WeakPolarHBondContact O-CA 3.47Å; I350-S361 PolarHBondContact N-O 3.03Å; I350-S361 PolarHBondContact O-N 3.03Å; I350-S361 VanDerWaalsContact O-N 3.15Å; I350-A364 HydrophobicContact CD1-CB 4.23Å
351T85.9Confident70.1Confident23 Ų2354.4 Ų54.414%0.14134%0.343CS..EExtended strand (participates in β ladder)trans-103120.1177.4-54.10000112.1L358 G359 L728 K729T351-L358 HydrophobicContact CG2-CD1 3.63Å; T351-L358 HydrophobicContact CG2-CG 4.42Å; T351-G359 CarbonylContact C-O 3.56Å; T351-G359 WeakPolarHBondContact CA-O 3.32Å; T351-L728 PolarHBondContact OG1-O 3.39Å; T351-K729 HydrophobicContact CG2-CG 3.98Å
352Y87.1Confident72.5Confident32 Ų3256.9 Ų56.913%0.12534%0.341CS..EExtended strand (participates in β ladder)trans-95.6145175.2-56.2-81.9000110.6I350 L358 G359 H363 A364 V365 F401I350-Y352 HydrophobicContact CB-CE2 4.13Å; I350-Y352 HydrophobicContact CG2-CE1 4.04Å; I350-Y352 HydrophobicContact CG2-CE2 3.91Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.35Å; Y352-L358 CarbonylContact O-C 3.32Å; Y352-L358 WeakPolarHBondContact O-CA 3.36Å; Y352-G359 PolarHBondContact N-O 3.46Å; Y352-G359 PolarHBondContact O-N 2.77Å; Y352-H363 PolarHBondContact OH-O 3.43Å; Y352-A364 WeakPolarHBondContact OH-CA 3.45Å; Y352-V365 WeakPolarHBondContact CE1-O 3.33Å; Y352-V365 HydrophobicContact CE2-CB 4.33Å; Y352-V365 PolarHBondContact OH-N 2.84Å; Y352-F401 HydrophobicContact CD1-CE1 4.08Å; Y352-F401 HydrophobicContact CG-CD1 4.41Å; Y352-F401 AromaticContact CG-CE1 4Å; Y352-F401 HydrophobicContact CG-CE1 4Å
353N84.2Confident74.6Confident49 Ų4956.8 Ų56.826%0.26234%0.336SS..  trans-144.533.9174.771.6-33.1000113V357 L358 Y725 K729N353-V357 CarbonylContact C-O 3.55Å; N353-V357 VanDerWaalsContact CA-O 3.3Å; N353-V357 WeakPolarHBondContact CA-O 3.49Å; N353-L358 HydrophobicContact CB-CD1 4.44Å; N353-Y725 HydrophobicContact CB-CD2 3.98Å; N353-Y725 HydrophobicContact CB-CG 4.3Å; N353-K729 WeakPolarHBondContact OD1-CE 3.43Å; N353-K729 PolarHBondContact OD1-NZ 3.07Å
354N84.8Confident77.1Confident79 Ų7954.5 Ų54.542%0.42233%0.331SS..  trans-94.9153.8-177.6-59.5-19.6000111G356 V357 F401N354-G356 PolarHBondContact O-N 2.9Å; N354-V357 PolarHBondContact O-N 3.39Å; N354-F401 HydrophobicContact CB-CZ 4.16Å
355Y86.4Confident79.3Confident120 Ų12053.7 Ų53.747%0.47133%0.326SS..THydrogen-bonded Turntrans59.722.3177.2-42.4-64.9000115.5V357 P367 A397 R400 F401Y355-V357 VanDerWaalsContact C-N 3.34Å; Y355-P367 HydrophobicContact CE2-CB 4.1Å; Y355-P367 HydrophobicContact CE2-CG 4.02Å; Y355-A397 WeakPolarHBondContact O-CB 3.38Å; Y355-R400 VanDerWaalsContact CD1-NH1 3.3Å; Y355-F401 HydrophobicContact CD2-CE2 4.14Å; Y355-F401 HydrophobicContact CD2-CZ 4.18Å
356G85.4Confident81.5Confident40 Ų4054.3 Ų54.341%0.41234%0.338SS..THydrogen-bonded Turntrans88.4-8.3179.800000115.1N354 Y725N354-G356 PolarHBondContact O-N 2.9Å; G356-Y725 VanDerWaalsContact O-CE2 3.3Å; G356-Y725 WeakPolarHBondContact O-CE2 3.12Å; G356-Y725 PolarHBondContact O-OH 2.95Å
357V90.6Very high84Confident0 Ų051 Ų510%031%0.314CS..  trans-98.8132.1-179.3162.40000110.9N353 N354 Y355 A397 V398 F401 L594 F595 D596N353-V357 CarbonylContact C-O 3.55Å; N353-V357 VanDerWaalsContact CA-O 3.3Å; N353-V357 WeakPolarHBondContact CA-O 3.49Å; N354-V357 PolarHBondContact O-N 3.39Å; Y355-V357 VanDerWaalsContact C-N 3.34Å; 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 4.24Å; V357-V398 HydrophobicContact CG2-CG1 3.59Å; V357-F401 HydrophobicContact CB-CE2 4.23Å; V357-F401 HydrophobicContact CG1-CD2 4.18Å; V357-F401 HydrophobicContact CG1-CE2 4.16Å; V357-L594 HydrophobicContact CG1-CB 4.37Å; V357-L594 HydrophobicContact CG1-CD2 3.99Å; V357-F595 WeakPolarHBondContact CA-O 3.31Å; V357-D596 HydrophobicContact CG2-CB 4.41Å
358L92.8Very high86.3Confident2 Ų246.3 Ų46.31%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-83.4126.1161.6-17480.4000108.6T351 Y352 N353 F595 A601 Y725 L728T351-L358 HydrophobicContact CG2-CD1 3.63Å; T351-L358 HydrophobicContact CG2-CG 4.42Å; Y352-L358 CarbonylContact O-C 3.32Å; Y352-L358 WeakPolarHBondContact O-CA 3.36Å; N353-L358 HydrophobicContact CB-CD1 4.44Å; L358-F595 HydrophobicContact CB-CB 4.33Å; L358-F595 HydrophobicContact CD2-CD2 4.15Å; L358-F595 PolarHBondContact N-O 3.44Å; L358-F595 PolarHBondContact O-N 3.35Å; L358-A601 HydrophobicContact CB-CB 4.39Å; L358-A601 HydrophobicContact CD2-CB 3.88Å; L358-Y725 HydrophobicContact CB-CD1 3.97Å; L358-Y725 HydrophobicContact CB-CE1 3.72Å; L358-Y725 HydrophobicContact CB-CE2 4.31Å; L358-Y725 HydrophobicContact CB-CG 4.35Å; L358-Y725 HydrophobicContact CD1-CD1 4Å; L358-Y725 HydrophobicContact CD1-CG 4.02Å; L358-Y725 HydrophobicContact CG-CD1 4.4Å; L358-L728 HydrophobicContact CD1-CB 4.2Å; L358-L728 HydrophobicContact CD1-CD1 4.34Å; L358-L728 HydrophobicContact CD2-CB 4.33Å; L358-L728 HydrophobicContact CD2-CD1 3.57Å
359G92.8Very high87.6Confident1 Ų148.9 Ų48.91%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-122147.5172.700000111.6T351 Y352 V593T351-G359 CarbonylContact C-O 3.56Å; T351-G359 WeakPolarHBondContact CA-O 3.32Å; Y352-G359 PolarHBondContact N-O 3.46Å; Y352-G359 PolarHBondContact O-N 2.77Å; G359-V593 CarbonylContact C-O 3.29Å; G359-V593 VanDerWaalsContact CA-O 3.28Å; G359-V593 WeakPolarHBondContact CA-O 3.42Å
360W91.9Very high88.3Confident40 Ų4047.5 Ų47.515%0.15225%0.252CS..EExtended strand (participates in β ladder)trans-136.5132.9170.7179.590.6000110.4I350 R362 V591 L592 V593I350-W360 WeakPolarHBondContact O-CA 3.47Å; W360-R362 HydrophobicContact CH2-CG 3.93Å; W360-R362 HydrophobicContact CZ2-CG 4.48Å; W360-V591 HydrophobicContact CZ3-CG1 4.01Å; W360-L592 WeakPolarHBondContact O-CA 3.23Å; W360-V593 HydrophobicContact CE3-CG2 4.21Å; W360-V593 PolarHBondContact N-O 3.43Å; W360-V593 PolarHBondContact O-N 3.41Å
361S90.6Very high88.3Confident0 Ų044.4 Ų44.40%024%0.237CC..EExtended strand (participates in β ladder)trans-150.6157.5170.4-170.50000111.5G349 I350 H363 H405 V591G349-S361 CarbonylContact C-O 3.46Å; G349-S361 WeakPolarHBondContact CA-O 3.43Å; I350-S361 PolarHBondContact N-O 3.03Å; I350-S361 PolarHBondContact O-N 3.03Å; I350-S361 VanDerWaalsContact O-N 3.15Å; S361-H363 PolarHBondContact O-N 3.16Å; S361-H363 PolarHBondContact OG-N 2.83Å; S361-H405 PolarHBondContact OG-NE2 2.86Å; S361-V591 WeakPolarHBondContact CA-O 3.28Å; S361-V591 WeakPolarHBondContact CB-O 3.48Å; S361-V591 PolarHBondContact OG-O 3.14Å
362R83.9Confident88.1Confident107 Ų10748.3 Ų48.340%0.40426%0.261SS..SBendtrans-69.5-18.8166.8-59.4-172-174.2-761112.7W360 P589W360-R362 HydrophobicContact CH2-CG 3.93Å; W360-R362 HydrophobicContact CZ2-CG 4.48Å; R362-P589 WeakPolarHBondContact CD-O 3.45Å; R362-P589 PolarHBondContact NE-O 2.65Å
363H85.1Confident88Confident58 Ų5851.8 Ų51.827%0.26928%0.278SS..SBendtrans-109.7150.4-174-64.6113.5000112.2Y352 S361 V365 H405 K410 D590Y352-H363 PolarHBondContact OH-O 3.43Å; S361-H363 PolarHBondContact O-N 3.16Å; S361-H363 PolarHBondContact OG-N 2.83Å; H363-V365 PolarHBondContact O-N 2.81Å; H363-H405 AromaticContact ND1-NE2 3.58Å; H363-K410 PolarHBondContact CD2-NZ 3.47Å; H363-K410 PolarHBondContact CE1-NZ 3.17Å; H363-K410 PolarHBondContact ND1-NZ 2.94Å; H363-K410 PolarHBondContact NE2-NZ 3.23Å; H363-D590 PolarHBondContact ND1-O 3.13Å
364A88.8Confident88Confident83 Ų8349.4 Ų49.469%0.68627%0.265SS*.  trans-65.6121.3168.400000110.5I350 Y352I350-A364 HydrophobicContact CD1-CB 4.23Å; Y352-A364 WeakPolarHBondContact OH-CA 3.45Å
365V90.3Very high87.8Confident9 Ų948 Ų486%0.05526%0.261CS..  trans-113.8120.2172.5-179.20000109Y352 H363 F401 P404 H405 L592Y352-V365 WeakPolarHBondContact CE1-O 3.33Å; Y352-V365 HydrophobicContact CE2-CB 4.33Å; Y352-V365 PolarHBondContact OH-N 2.84Å; H363-V365 PolarHBondContact O-N 2.81Å; V365-F401 HydrophobicContact CG1-CB 4.28Å; V365-F401 HydrophobicContact CG1-CD1 4.32Å; V365-F401 WeakPolarHBondContact CG1-O 3.16Å; V365-P404 HydrophobicContact CG1-CG 4.31Å; V365-H405 HydrophobicContact CG1-CB 4.49Å; V365-H405 HydrophobicContact CG2-CB 4.29Å; V365-H405 WeakPolarHBondContact CG2-CE1 3.45Å; V365-H405 WeakPolarHBondContact CG2-ND1 3.32Å; V365-L592 HydrophobicContact CG1-CD2 4.49Å; V365-L592 HydrophobicContact CG2-CD1 4.32Å; V365-L592 HydrophobicContact CG2-CD2 4.39Å
366V90.8Very high87.7Confident120 Ų12047.1 Ų47.173%0.72726%0.264SS*.PPolyproline II helixtrans-92.5119.1171.2-178.60000107.7P404V366-P404 VanDerWaalsContact O-CG 3.28Å; V366-P404 WeakPolarHBondContact O-CG 3.4Å
367P92.5Very high87.9Confident33 Ų3345.5 Ų45.521%0.21425%0.246CC..PPolyproline II helixtrans-77.9136-177.429.2-33.1000112.4Y355 R400 F401Y355-P367 HydrophobicContact CE2-CB 4.1Å; Y355-P367 HydrophobicContact CE2-CG 4.02Å; P367-R400 CarbonylContact C-O 3.54Å; P367-R400 WeakPolarHBondContact CA-O 3.28Å; P367-R400 HydrophobicContact CB-CB 4.15Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.8Å; P367-F401 HydrophobicContact CB-CG 4.32Å; P367-F401 HydrophobicContact CB-CZ 4.26Å; P367-F401 HydrophobicContact CG-CD1 4.39Å; P367-F401 HydrophobicContact CG-CE1 3.96Å; P367-F401 HydrophobicContact CG-CZ 4.49Å
368C91.6Very high87.8Confident6 Ų647 Ų474%0.04126%0.257CS..PPolyproline II helixtrans-85.5141.4171.261.60000111.5E373 R400C368-E373 HydrophobicContact CB-CB 3.71Å; C368-R400 PolarHBondContact N-O 3.27Å; C368-R400 WeakPolarHBondContact O-CA 3.34Å; C368-R400 VanDerWaalsContact O-CB 3.24Å; C368-R400 WeakPolarHBondContact O-CB 3.28Å; C368-R400 VanDerWaalsContact O-CG 3.22Å; C368-R400 WeakPolarHBondContact O-CG 3.34Å; C368-R400 PolarHBondContact SG-O 3.21Å
369Y88.1Confident87.7Confident113 Ų11352.1 Ų52.144%0.44329%0.288SS..SBendtrans-78.9-33.7175.8-172.8-92.8000112.7E373 R394 A395 R400Y369-E373 VanDerWaalsContact CB-OE2 3.31Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.41Å; Y369-E373 PolarHBondContact N-OE2 3.25Å; Y369-R394 HydrophobicContact CE1-CB 4.02Å; Y369-A395 WeakPolarHBondContact O-CB 3.48Å; Y369-A395 PolarHBondContact O-N 2.91Å; Y369-R400 PolarHBondContact O-NH2 2.98Å; Y369-R400 VanDerWaalsContact O-NH2 3.12Å
370G86.1Confident87.6Confident7 Ų755 Ų557%0.07230%0.302CS..SBendtrans-150179.7-178.600000114.4T372 E373G370-T372 PolarHBondContact O-N 3.37Å; G370-E373 PolarHBondContact O-N 3.25Å
371L83.9Confident87.7Confident10 Ų1053.1 Ų53.15%0.05230%0.295CS..THydrogen-bonded Turntrans-58.4-29.3-178.5-85.7163.8000114.2E373 R382 M385 Q386 A391 W403L371-E373 VanDerWaalsContact C-N 3.33Å; L371-R382 HydrophobicContact CD2-CG 4.35Å; L371-R382 PolarHBondContact O-NE 2.79Å; L371-R382 PolarHBondContact O-NH1 3.44Å; L371-R382 PolarHBondContact O-NH2 3.32Å; L371-M385 HydrophobicContact CD1-CB 4.23Å; L371-M385 HydrophobicContact CD2-CB 4.48Å; L371-M385 HydrophobicContact CD2-CE 3.67Å; L371-M385 HydrophobicContact CD2-SD 3.64Å; L371-Q386 HydrophobicContact CD1-CG 4.18Å; L371-A391 HydrophobicContact CD1-CB 3.98Å; L371-A391 HydrophobicContact CG-CB 4.15Å; L371-W403 HydrophobicContact CD2-CH2 3.81Å; L371-W403 HydrophobicContact CD2-CZ3 3.83Å; L371-W403 HydrophobicContact CG-CH2 3.97Å; L371-W403 HydrophobicContact CG-CZ3 3.93Å
372T83.6Confident87.7Confident105 Ų10555.7 Ų55.764%0.64431%0.305SS*.THydrogen-bonded Turntrans-62.5-39.1178.638.10000112.7G370 R382G370-T372 PolarHBondContact O-N 3.37Å; T372-R382 PolarHBondContact O-NH1 3.04Å; T372-R382 PolarHBondContact O-NH2 3.28Å
373E85Confident87.9Confident105 Ų10557.8 Ų57.849%0.49131%0.313SS..THydrogen-bonded Turntrans-91-9.1-174.6-67.8154.5-123.700113.5C368 Y369 G370 L371 P375C368-E373 HydrophobicContact CB-CB 3.71Å; Y369-E373 VanDerWaalsContact CB-OE2 3.31Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.41Å; Y369-E373 PolarHBondContact N-OE2 3.25Å; G370-E373 PolarHBondContact O-N 3.25Å; L371-E373 VanDerWaalsContact C-N 3.33Å; E373-P375 VanDerWaalsContact O-CD 3.28Å; E373-P375 WeakPolarHBondContact O-CD 3.41Å
374A84.3Confident88.2Confident0 Ų055 Ų550%030%0.3CS..  trans-73.7110.7-179.100000110.6I377 R382 W403A374-I377 HydrophobicContact CB-CD1 3.86Å; A374-I377 HydrophobicContact CB-CG1 4.31Å; A374-R382 PolarHBondContact O-NH2 2.73Å; A374-W403 HydrophobicContact CB-CB 4.16Å; A374-W403 HydrophobicContact CB-CE3 3.91Å
375P79.8Confident88.3Confident49 Ų4951 Ų5132%0.31827%0.267SS..THydrogen-bonded Turntrans-66.3149.7-174.728.7-34.3000111.2E373 I377 P404 S407E373-P375 VanDerWaalsContact O-CD 3.28Å; E373-P375 WeakPolarHBondContact O-CD 3.41Å; P375-I377 PolarHBondContact O-N 2.96Å; P375-P404 HydrophobicContact CG-CB 3.78Å; P375-S407 WeakPolarHBondContact O-CB 2.36Å; P375-S407 PolarHBondContact O-OG 2.77Å
376D84.4Confident88.2Confident102 Ų10255.4 Ų55.455%0.54529%0.287SS..THydrogen-bonded Turntrans59.13.8174.6-44.4-37.2000117Q432D376-Q432 PolarHBondContact O-NE2 3.44Å
377I88.6Confident88Confident5 Ų555.4 Ų55.43%0.02628%0.279CS..  trans-82.8114.1164.7-53.1-173.2000109A374 P375 I381 R382 W403A374-I377 HydrophobicContact CB-CD1 3.86Å; A374-I377 HydrophobicContact CB-CG1 4.31Å; P375-I377 PolarHBondContact O-N 2.96Å; I377-I381 HydrophobicContact CG2-CB 4.12Å; I377-I381 HydrophobicContact CG2-CG2 3.58Å; I377-R382 HydrophobicContact CG2-CG 4.04Å; I377-R382 PolarHBondContact O-NE 3.07Å; I377-W403 HydrophobicContact CD1-CB 4.1Å; I377-W403 HydrophobicContact CD1-CD2 4.26Å; I377-W403 HydrophobicContact CD1-CG 3.99Å
378S90.2Very high87.8Confident33 Ų3356.3 Ų56.323%0.23128%0.281CS..  trans-59.8154.1-17863.20000114.3I380 I381 R382 Q432S378-I380 PolarHBondContact O-N 2.69Å; S378-I381 PolarHBondContact O-N 2.74Å; S378-I381 WeakPolarHBondContact OG-CB 3.49Å; S378-I381 WeakPolarHBondContact OG-CG1 3.39Å; S378-I381 PolarHBondContact OG-N 2.46Å; S378-R382 VanDerWaalsContact O-CG 3.27Å; S378-R382 WeakPolarHBondContact O-CG 3.3Å; S378-R382 PolarHBondContact O-N 3.21Å; S378-Q432 VanDerWaalsContact CB-OE1 3.24Å; S378-Q432 PolarHBondContact OG-OE1 3.47Å
379T89.9Confident87.6Confident108 Ų10857.4 Ų57.466%0.66329%0.294SS*.Hα-helixtrans-59.5-32.9176.350.10000113.1R383T379-R383 WeakPolarHBondContact O-CB 3.37Å; T379-R383 PolarHBondContact O-N 3.11Å
380I91.2Very high87.4Confident62 Ų6252.9 Ų52.932%0.31828%0.278SS..Hα-helixtrans-65.1-52.2175.5-65167.9000110.5S378 R382 R383 A384 L473 L474S378-I380 PolarHBondContact O-N 2.69Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 2.62Å; I380-R383 WeakPolarHBondContact O-CB 3.43Å; I380-R383 PolarHBondContact O-N 3.04Å; I380-R383 VanDerWaalsContact O-N 3.14Å; I380-A384 PolarHBondContact O-N 2.45Å; I380-L473 VanDerWaalsContact CG2-C 3.47Å; I380-L473 HydrophobicContact CG2-CB 3.89Å; I380-L473 WeakPolarHBondContact CG2-O 3.28Å; I380-L474 HydrophobicContact CB-CD2 4.12Å; I380-L474 HydrophobicContact CD1-CD2 4.28Å; I380-L474 HydrophobicContact CG2-CD2 3.8Å; I380-L474 HydrophobicContact CG2-CG 4.23Å
381I92.4Very high87.2Confident0 Ų053.4 Ų53.40%028%0.281CS..Hα-helixtrans-64.5-39178.4-71.2-75.9000111.2I377 S378 R383 A384 M385 P428 Q432 L470 L474I377-I381 HydrophobicContact CG2-CB 4.12Å; I377-I381 HydrophobicContact CG2-CG2 3.58Å; S378-I381 PolarHBondContact O-N 2.74Å; S378-I381 WeakPolarHBondContact OG-CB 3.49Å; S378-I381 WeakPolarHBondContact OG-CG1 3.39Å; S378-I381 PolarHBondContact OG-N 2.46Å; I381-R383 VanDerWaalsContact C-N 3.31Å; I381-R383 PolarHBondContact O-N 3.32Å; I381-A384 WeakPolarHBondContact O-CB 3.49Å; I381-A384 PolarHBondContact O-N 3.09Å; I381-M385 HydrophobicContact CG2-CG 4.4Å; I381-M385 HydrophobicContact CG2-SD 3.97Å; I381-M385 WeakPolarHBondContact O-CB 3.45Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.5Å; I381-M385 PolarHBondContact O-N 2.82Å; I381-P428 HydrophobicContact CG2-CB 3.68Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.21Å; I381-L470 HydrophobicContact CD1-CB 3.93Å; I381-L470 HydrophobicContact CD1-CD2 3.95Å; I381-L470 WeakPolarHBondContact CD1-O 3.34Å; I381-L470 HydrophobicContact CG2-CD2 4.22Å; I381-L474 HydrophobicContact CD1-CD1 4.11Å; I381-L474 HydrophobicContact CD1-CG 4.38Å; I381-L474 HydrophobicContact CG1-CD1 4.44Å; I381-L474 HydrophobicContact CG1-CD2 4.29Å
382R90.8Very high86.7Confident54 Ų5460.5 Ų60.520%0.20431%0.307CS..Hα-helixtrans-56.8-43.3172.1-69.5169.8-174.7-150.1-10.1111.6L371 T372 A374 I377 S378 I380 M385 Q386L371-R382 HydrophobicContact CD2-CG 4.35Å; L371-R382 PolarHBondContact O-NE 2.79Å; L371-R382 PolarHBondContact O-NH1 3.44Å; L371-R382 PolarHBondContact O-NH2 3.32Å; T372-R382 PolarHBondContact O-NH1 3.04Å; T372-R382 PolarHBondContact O-NH2 3.28Å; A374-R382 PolarHBondContact O-NH2 2.73Å; I377-R382 HydrophobicContact CG2-CG 4.04Å; I377-R382 PolarHBondContact O-NE 3.07Å; S378-R382 VanDerWaalsContact O-CG 3.27Å; S378-R382 WeakPolarHBondContact O-CG 3.3Å; S378-R382 PolarHBondContact O-N 3.21Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 2.62Å; R382-M385 PolarHBondContact O-N 2.97Å; R382-Q386 VanDerWaalsContact O-CG 3.3Å; R382-Q386 WeakPolarHBondContact O-CG 3.37Å; R382-Q386 PolarHBondContact O-N 3.41Å
383R88.7Confident86.4Confident151 Ų15160.6 Ų60.657%0.5731%0.312SS*.Hα-helixtrans-65.3-44.5176.2-175.6-175.7-68.5153.6-3.1112.1T379 I380 I381 M385 Q386 Q387T379-R383 WeakPolarHBondContact O-CB 3.37Å; T379-R383 PolarHBondContact O-N 3.11Å; I380-R383 WeakPolarHBondContact O-CB 3.43Å; I380-R383 PolarHBondContact O-N 3.04Å; I380-R383 VanDerWaalsContact O-N 3.14Å; I381-R383 VanDerWaalsContact C-N 3.31Å; I381-R383 PolarHBondContact O-N 3.32Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 3.28Å; R383-Q386 PolarHBondContact O-N 3.03Å; R383-Q387 WeakPolarHBondContact O-CG 3.29Å; R383-Q387 PolarHBondContact O-N 3.2Å
384A90.8Very high86.4Confident0 Ų062.9 Ų62.90%032%0.317CS..Hα-helixtrans-58-45.9175.700000111.7I380 I381 Q386 Q387 M388 L470 L473I380-A384 PolarHBondContact O-N 2.45Å; I381-A384 WeakPolarHBondContact O-CB 3.49Å; I381-A384 PolarHBondContact O-N 3.09Å; A384-Q386 PolarHBondContact O-N 3.3Å; A384-Q387 PolarHBondContact O-N 3.41Å; A384-M388 HydrophobicContact CB-CE 4.23Å; A384-M388 WeakPolarHBondContact O-CE 3.25Å; A384-M388 PolarHBondContact O-N 3.31Å; A384-M388 VanDerWaalsContact O-N 3.12Å; A384-L470 HydrophobicContact CB-CD2 4.03Å; A384-L473 HydrophobicContact CB-CD1 3.54Å
385M91.6Very high86.7Confident0 Ų063 Ų630%032%0.317CS..Hα-helixtrans-60.6-43.4175.9-71.7176.678.100112.4L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470L371-M385 HydrophobicContact CD1-CB 4.23Å; L371-M385 HydrophobicContact CD2-CB 4.48Å; L371-M385 HydrophobicContact CD2-CE 3.67Å; L371-M385 HydrophobicContact CD2-SD 3.64Å; I381-M385 HydrophobicContact CG2-CG 4.4Å; I381-M385 HydrophobicContact CG2-SD 3.97Å; I381-M385 WeakPolarHBondContact O-CB 3.45Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.5Å; I381-M385 PolarHBondContact O-N 2.82Å; R382-M385 PolarHBondContact O-N 2.97Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 3.28Å; M385-M388 CarbonylContact O-C 3.55Å; M385-M388 PolarHBondContact O-N 3.36Å; M385-G389 PolarHBondContact O-N 2.94Å; M385-V390 HydrophobicContact CB-CB 4.11Å; M385-V390 HydrophobicContact CE-CB 4.37Å; M385-V390 HydrophobicContact CE-CG1 3.64Å; M385-V390 WeakPolarHBondContact O-CB 3.45Å; M385-V390 PolarHBondContact O-N 3.36Å; M385-W403 HydrophobicContact CE-CH2 3.94Å; M385-W403 HydrophobicContact CE-CZ2 3.47Å; M385-W403 VanDerWaalsContact CE-CZ2 3.47Å; M385-W424 HydrophobicContact CE-CE3 4.2Å; M385-W424 HydrophobicContact CE-CZ3 4.47Å; M385-W424 HydrophobicContact CG-CZ3 4.08Å; M385-P428 HydrophobicContact CE-CB 4.17Å; M385-P428 HydrophobicContact CE-CG 3.41Å; M385-P428 VanDerWaalsContact CE-CG 3.41Å; M385-P428 HydrophobicContact CG-CG 4.36Å; M385-P428 HydrophobicContact SD-CB 3.52Å; M385-P428 VanDerWaalsContact SD-CB 3.52Å; M385-P428 HydrophobicContact SD-CG 3.45Å; M385-P428 WeakPolarHBondContact SD-CG 3.25Å; M385-L470 HydrophobicContact CG-CD2 3.99Å
386Q88.4Confident87.2Confident101 Ų10166.8 Ų66.847%0.47233%0.325SS..Hα-helixtrans-62.4-42176.9-74.6168.8-25.800112.6L371 R382 R383 A384 G389L371-Q386 HydrophobicContact CD1-CG 4.18Å; R382-Q386 VanDerWaalsContact O-CG 3.3Å; R382-Q386 WeakPolarHBondContact O-CG 3.37Å; R382-Q386 PolarHBondContact O-N 3.41Å; R383-Q386 PolarHBondContact O-N 3.03Å; A384-Q386 PolarHBondContact O-N 3.3Å; Q386-G389 WeakPolarHBondContact O-CA 3.19Å; Q386-G389 PolarHBondContact O-N 2.94Å
387Q87.1Confident87.5Confident119 Ų11963 Ų6356%0.55631%0.308SS*.Hα-helixtrans-60.5-45.2175.4-73175.6-15.300111.5R383 A384 G389R383-Q387 WeakPolarHBondContact O-CG 3.29Å; R383-Q387 PolarHBondContact O-N 3.2Å; A384-Q387 PolarHBondContact O-N 3.41Å; Q387-G389 PolarHBondContact O-N 3.27Å; Q387-G389 VanDerWaalsContact O-N 3.1Å
388M88.1Confident87.7Confident53 Ų5362.8 Ų62.826%0.26131%0.307SS..THydrogen-bonded Turntrans-70.63.5172.8-71.1179.2-79.400114.4A384 M385 V390 W424 T469 L470A384-M388 HydrophobicContact CB-CE 4.23Å; A384-M388 WeakPolarHBondContact O-CE 3.25Å; A384-M388 PolarHBondContact O-N 3.31Å; A384-M388 VanDerWaalsContact O-N 3.12Å; M385-M388 CarbonylContact O-C 3.55Å; M385-M388 PolarHBondContact O-N 3.36Å; M388-V390 VanDerWaalsContact C-N 3.25Å; M388-V390 HydrophobicContact CB-CG2 4.18Å; M388-V390 PolarHBondContact O-N 3.21Å; M388-W424 HydrophobicContact CE-CH2 3.7Å; M388-W424 HydrophobicContact CE-CZ3 4.43Å; M388-W424 HydrophobicContact SD-CH2 3.76Å; M388-W424 HydrophobicContact SD-CZ2 4.13Å; M388-T469 HydrophobicContact CE-CG2 3.8Å; M388-T469 HydrophobicContact CG-CG2 3.88Å; M388-T469 HydrophobicContact SD-CG2 3.71Å; M388-L470 HydrophobicContact CE-CD2 3.73Å; M388-L470 HydrophobicContact CE-CG 3.91Å
389G85.9Confident87.9Confident29 Ų2961.3 Ų61.330%0.29930%0.296SS..THydrogen-bonded Turntrans74.68.4178.800000115.2M385 Q386 Q387 A391M385-G389 PolarHBondContact O-N 2.94Å; Q386-G389 WeakPolarHBondContact O-CA 3.19Å; Q386-G389 PolarHBondContact O-N 2.94Å; Q387-G389 PolarHBondContact O-N 3.27Å; Q387-G389 VanDerWaalsContact O-N 3.1Å; G389-A391 PolarHBondContact O-N 3.06Å
390V85.7Confident88.1Confident18 Ų1856.7 Ų56.711%0.10927%0.267CS..THydrogen-bonded Turntrans-72.1122.7179.4-175.20000109.4M385 M388 R392 W424M385-V390 HydrophobicContact CB-CB 4.11Å; M385-V390 HydrophobicContact CE-CB 4.37Å; M385-V390 HydrophobicContact CE-CG1 3.64Å; M385-V390 WeakPolarHBondContact O-CB 3.45Å; M385-V390 PolarHBondContact O-N 3.36Å; M388-V390 VanDerWaalsContact C-N 3.25Å; M388-V390 HydrophobicContact CB-CG2 4.18Å; M388-V390 PolarHBondContact O-N 3.21Å; V390-R392 VanDerWaalsContact C-N 3.28Å; V390-R392 PolarHBondContact O-N 3.32Å; V390-W424 HydrophobicContact CG1-CD2 4.23Å; V390-W424 HydrophobicContact CG1-CE3 4.08Å; V390-W424 HydrophobicContact CG2-CD2 3.87Å; V390-W424 HydrophobicContact CG2-CE3 3.96Å; V390-W424 HydrophobicContact CG2-CH2 3.95Å; V390-W424 HydrophobicContact CG2-CZ2 3.83Å; V390-W424 HydrophobicContact CG2-CZ3 4Å
391A80.1Confident88.3Confident18 Ų1853.8 Ų53.815%0.14925%0.252CS..THydrogen-bonded Turntrans53.23517500000115.8L371 G389 S393 R394 W403L371-A391 HydrophobicContact CD1-CB 3.98Å; L371-A391 HydrophobicContact CG-CB 4.15Å; G389-A391 PolarHBondContact O-N 3.06Å; A391-S393 PolarHBondContact O-N 3.3Å; A391-R394 WeakPolarHBondContact CA-O 3.41Å; A391-R394 WeakPolarHBondContact CB-O 3.44Å; A391-R394 PolarHBondContact O-N 2.98Å; A391-W403 HydrophobicContact CB-CH2 3.75Å; A391-W403 HydrophobicContact CB-CZ3 4.48Å
392R74.8Confident88.4Confident158 Ų15853.8 Ų53.860%0.59625%0.252SS*.SBendtrans-44.6-37178.8-76.8-177175.9167.64.6114.8V390V390-R392 VanDerWaalsContact C-N 3.28Å; V390-R392 PolarHBondContact O-N 3.32Å
393S75.9Confident88.6Confident108 Ų10851.2 Ų51.276%0.75524%0.242SC*.SBendtrans-120-26.2179.457.70000115A391A391-S393 PolarHBondContact O-N 3.3Å
394R85.6Confident88.8Confident153 Ų15344.7 Ų44.758%0.57722%0.219SC*.  trans-163.6152178.463-174.9-178.6-173-0.1112Y369 A391Y369-R394 HydrophobicContact CE1-CB 4.02Å; A391-R394 WeakPolarHBondContact CA-O 3.41Å; A391-R394 WeakPolarHBondContact CB-O 3.44Å; A391-R394 PolarHBondContact O-N 2.98Å
395A90.1Very high89Confident2 Ų244.8 Ų44.82%0.01722%0.22CC..  trans-69.5142.5169.500000110.9Y369 Q399 R400 W403Y369-A395 WeakPolarHBondContact O-CB 3.48Å; Y369-A395 PolarHBondContact O-N 2.91Å; A395-Q399 HydrophobicContact CB-CB 4.45Å; A395-R400 HydrophobicContact CB-CG 3.94Å; A395-R400 PolarHBondContact O-NE 3.19Å; A395-R400 PolarHBondContact O-NH2 3.36Å; A395-W403 HydrophobicContact CB-CE3 4.12Å; A395-W403 HydrophobicContact CB-CH2 4.04Å; A395-W403 HydrophobicContact CB-CZ3 3.53Å
396R91.3Very high89.1Confident129 Ų12944.8 Ų44.849%0.48722%0.22SC..  trans-74.3155.6176.5-58.4-179.5171.7-168.4-7.2111.1V398 Q399 R400 Q419 I420R396-V398 PolarHBondContact O-N 3.4Å; R396-Q399 HydrophobicContact CB-CG 4.27Å; R396-Q399 VanDerWaalsContact N-OE1 3.13Å; R396-Q399 WeakPolarHBondContact O-CA 3.3Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.23Å; R396-Q399 PolarHBondContact O-N 2.66Å; R396-R400 WeakPolarHBondContact O-CG 3.47Å; R396-R400 PolarHBondContact O-N 3.2Å; R396-R400 VanDerWaalsContact O-N 3.17Å; R396-Q419 PolarHBondContact NH1-O 3.41Å; R396-I420 WeakPolarHBondContact CD-O 3.28Å; R396-I420 PolarHBondContact NH1-O 2.87Å; R396-I420 VanDerWaalsContact NH1-O 3.09Å
397A90.5Very high89.1Confident22 Ų2240.1 Ų40.118%0.18220%0.198CC..Hα-helixtrans-48.6-52.5-164.800000114.6Y355 V357 Q399 R400 F401Y355-A397 WeakPolarHBondContact O-CB 3.38Å; 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 3.19Å; A397-R400 WeakPolarHBondContact O-CB 3.33Å; A397-R400 PolarHBondContact O-N 3.19Å; A397-F401 WeakPolarHBondContact O-CD2 3.38Å
398V93.5Very high89.2Confident0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-66.4-35.4176.9-67.60000113.7V357 R396 R400 F401 A402 V414 I420 L594 D596V357-V398 HydrophobicContact CG1-CG1 4.24Å; V357-V398 HydrophobicContact CG2-CG1 3.59Å; R396-V398 PolarHBondContact O-N 3.4Å; V398-R400 PolarHBondContact O-N 3.04Å; V398-F401 PolarHBondContact O-N 3.43Å; V398-A402 WeakPolarHBondContact O-CB 3.45Å; V398-A402 PolarHBondContact O-N 3.05Å; V398-V414 HydrophobicContact CB-CG1 4.04Å; V398-V414 HydrophobicContact CG1-CG1 4.03Å; V398-V414 HydrophobicContact CG2-CG1 4.17Å; V398-I420 HydrophobicContact CG2-CD1 4.5Å; V398-L594 HydrophobicContact CB-CD1 4.1Å; V398-L594 HydrophobicContact CG1-CB 4.27Å; V398-L594 VanDerWaalsContact O-CD1 3.32Å; V398-L594 WeakPolarHBondContact O-CD1 3.5Å; V398-D596 HydrophobicContact CG1-CB 3.8Å
399Q94.1Very high89.3Confident2 Ų236.1 Ų36.11%0.00918%0.182CC..Hα-helixtrans-63.6-32.6-179.3-63.3170.8-19.700111.8A395 R396 A397 F401 A402 W403 G421 W424 S425A395-Q399 HydrophobicContact CB-CB 4.45Å; R396-Q399 HydrophobicContact CB-CG 4.27Å; R396-Q399 VanDerWaalsContact N-OE1 3.13Å; R396-Q399 WeakPolarHBondContact O-CA 3.3Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.23Å; R396-Q399 PolarHBondContact O-N 2.66Å; A397-Q399 PolarHBondContact O-N 3.19Å; Q399-F401 PolarHBondContact O-N 3.06Å; Q399-A402 PolarHBondContact O-N 2.98Å; Q399-W403 HydrophobicContact CB-CD2 4.1Å; Q399-W403 HydrophobicContact CB-CH2 4.39Å; Q399-W403 HydrophobicContact CB-CZ2 3.91Å; Q399-W403 HydrophobicContact CG-CZ2 4.14Å; Q399-W403 WeakPolarHBondContact O-CB 3.32Å; Q399-W403 PolarHBondContact O-N 3.16Å; Q399-G421 PolarHBondContact NE2-O 2.96Å; Q399-W424 VanDerWaalsContact NE2-CB 3.32Å; Q399-S425 WeakPolarHBondContact CG-OG 3.24Å
400R93.7Very high89.6Confident12 Ų1236 Ų365%0.04517%0.173CC..Hα-helixtrans-54.8-37.8177.3-60.7-178170.6-127.4-27.2113Y355 P367 C368 Y369 A395 R396 A397 V398 P404Y355-R400 VanDerWaalsContact CD1-NH1 3.3Å; P367-R400 CarbonylContact C-O 3.54Å; P367-R400 WeakPolarHBondContact CA-O 3.28Å; P367-R400 HydrophobicContact CB-CB 4.15Å; C368-R400 PolarHBondContact N-O 3.27Å; C368-R400 WeakPolarHBondContact O-CA 3.34Å; C368-R400 VanDerWaalsContact O-CB 3.24Å; C368-R400 WeakPolarHBondContact O-CB 3.28Å; C368-R400 VanDerWaalsContact O-CG 3.22Å; C368-R400 WeakPolarHBondContact O-CG 3.34Å; C368-R400 PolarHBondContact SG-O 3.21Å; Y369-R400 PolarHBondContact O-NH2 2.98Å; Y369-R400 VanDerWaalsContact O-NH2 3.12Å; A395-R400 HydrophobicContact CB-CG 3.94Å; A395-R400 PolarHBondContact O-NE 3.19Å; A395-R400 PolarHBondContact O-NH2 3.36Å; R396-R400 WeakPolarHBondContact O-CG 3.47Å; R396-R400 PolarHBondContact O-N 3.2Å; R396-R400 VanDerWaalsContact O-N 3.17Å; A397-R400 WeakPolarHBondContact O-CB 3.33Å; A397-R400 PolarHBondContact O-N 3.19Å; V398-R400 PolarHBondContact O-N 3.04Å; R400-P404 WeakPolarHBondContact O-CD 3.39Å; R400-P404 WeakPolarHBondContact O-CG 3.19Å
401F94.8Very high90Very high0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-95-37.4179.1-59.3-87.1000112.2Y352 N354 Y355 V357 V365 P367 A397 V398 Q399 H405 L592 L594Y352-F401 HydrophobicContact CD1-CE1 4.08Å; Y352-F401 HydrophobicContact CG-CD1 4.41Å; Y352-F401 AromaticContact CG-CE1 4Å; Y352-F401 HydrophobicContact CG-CE1 4Å; N354-F401 HydrophobicContact CB-CZ 4.16Å; Y355-F401 HydrophobicContact CD2-CE2 4.14Å; Y355-F401 HydrophobicContact CD2-CZ 4.18Å; V357-F401 HydrophobicContact CB-CE2 4.23Å; V357-F401 HydrophobicContact CG1-CD2 4.18Å; V357-F401 HydrophobicContact CG1-CE2 4.16Å; V365-F401 HydrophobicContact CG1-CB 4.28Å; V365-F401 HydrophobicContact CG1-CD1 4.32Å; V365-F401 WeakPolarHBondContact CG1-O 3.16Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.8Å; P367-F401 HydrophobicContact CB-CG 4.32Å; P367-F401 HydrophobicContact CB-CZ 4.26Å; P367-F401 HydrophobicContact CG-CD1 4.39Å; P367-F401 HydrophobicContact CG-CE1 3.96Å; P367-F401 HydrophobicContact CG-CZ 4.49Å; A397-F401 WeakPolarHBondContact O-CD2 3.38Å; V398-F401 PolarHBondContact O-N 3.43Å; Q399-F401 PolarHBondContact O-N 3.06Å; F401-H405 WeakPolarHBondContact O-CB 3.24Å; F401-L592 HydrophobicContact CB-CD2 4.03Å; F401-L592 WeakPolarHBondContact O-CD2 3.42Å; F401-L594 HydrophobicContact CB-CD1 4.09Å; F401-L594 HydrophobicContact CB-CD2 3.8Å; F401-L594 HydrophobicContact CD2-CD2 4.38Å; F401-L594 HydrophobicContact CG-CD2 4.22Å
402A95.4Very high90.8Very high0 Ų034.3 Ų34.30%016%0.161CC..Hα-helixtrans-68.8-45.9-176.200000112.9V398 Q399 H405 V406 V412 S425 L594V398-A402 WeakPolarHBondContact O-CB 3.45Å; V398-A402 PolarHBondContact O-N 3.05Å; Q399-A402 PolarHBondContact O-N 2.98Å; A402-H405 PolarHBondContact O-N 2.7Å; A402-H405 VanDerWaalsContact O-N 3.13Å; A402-V406 VanDerWaalsContact O-CB 3.3Å; A402-V406 WeakPolarHBondContact O-CB 3.36Å; A402-V406 VanDerWaalsContact O-CG2 3.23Å; A402-V406 WeakPolarHBondContact O-CG2 3.34Å; A402-V406 PolarHBondContact O-N 3.05Å; A402-V412 HydrophobicContact CB-CG2 4.32Å; A402-S425 WeakPolarHBondContact CB-O 3.48Å; A402-L594 HydrophobicContact CB-CD1 3.85Å
403W94.9Very high91.8Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-54.3-55.3-179.8-67.9-18.1000113.3L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424L371-W403 HydrophobicContact CD2-CH2 3.81Å; L371-W403 HydrophobicContact CD2-CZ3 3.83Å; L371-W403 HydrophobicContact CG-CH2 3.97Å; L371-W403 HydrophobicContact CG-CZ3 3.93Å; A374-W403 HydrophobicContact CB-CB 4.16Å; A374-W403 HydrophobicContact CB-CE3 3.91Å; I377-W403 HydrophobicContact CD1-CB 4.1Å; I377-W403 HydrophobicContact CD1-CD2 4.26Å; I377-W403 HydrophobicContact CD1-CG 3.99Å; M385-W403 HydrophobicContact CE-CH2 3.94Å; M385-W403 HydrophobicContact CE-CZ2 3.47Å; M385-W403 VanDerWaalsContact CE-CZ2 3.47Å; A391-W403 HydrophobicContact CB-CH2 3.75Å; A391-W403 HydrophobicContact CB-CZ3 4.48Å; A395-W403 HydrophobicContact CB-CE3 4.12Å; A395-W403 HydrophobicContact CB-CH2 4.04Å; A395-W403 HydrophobicContact CB-CZ3 3.53Å; Q399-W403 HydrophobicContact CB-CD2 4.1Å; Q399-W403 HydrophobicContact CB-CH2 4.39Å; Q399-W403 HydrophobicContact CB-CZ2 3.91Å; Q399-W403 HydrophobicContact CG-CZ2 4.14Å; Q399-W403 WeakPolarHBondContact O-CB 3.32Å; Q399-W403 PolarHBondContact O-N 3.16Å; W403-H405 PolarHBondContact O-N 2.83Å; W403-V406 PolarHBondContact O-N 3.15Å; W403-S407 VanDerWaalsContact O-CB 3.27Å; W403-S407 WeakPolarHBondContact O-CB 3.28Å; W403-S407 PolarHBondContact O-N 3.29Å; W403-S407 PolarHBondContact O-OG 3.45Å; W403-W424 PolarHBondContact NE1-O 3.14Å
404P93.3Very high92.8Very high14 Ų1421.6 Ų21.69%0.09110%0.097CC..Hα-helixtrans-67.5-12179.325.7-34.8000115.2V365 V366 P375 R400 L408V365-P404 HydrophobicContact CG1-CG 4.31Å; V366-P404 VanDerWaalsContact O-CG 3.28Å; V366-P404 WeakPolarHBondContact O-CG 3.4Å; P375-P404 HydrophobicContact CG-CB 3.78Å; R400-P404 WeakPolarHBondContact O-CD 3.39Å; R400-P404 WeakPolarHBondContact O-CG 3.19Å; P404-L408 WeakPolarHBondContact O-CD1 2.94Å; P404-L408 WeakPolarHBondContact O-CG 3.43Å
405H93.4Very high93.3Very high3 Ų314.3 Ų14.31%0.0147%0.07CC..Hα-helixtrans-95.2-45.4176.5-171.991.5000111.7S361 H363 V365 F401 A402 W403 L408 K410 S411 D590 L592S361-H405 PolarHBondContact OG-NE2 2.86Å; H363-H405 AromaticContact ND1-NE2 3.58Å; V365-H405 HydrophobicContact CG1-CB 4.49Å; V365-H405 HydrophobicContact CG2-CB 4.29Å; V365-H405 WeakPolarHBondContact CG2-CE1 3.45Å; V365-H405 WeakPolarHBondContact CG2-ND1 3.32Å; F401-H405 WeakPolarHBondContact O-CB 3.24Å; A402-H405 PolarHBondContact O-N 2.7Å; A402-H405 VanDerWaalsContact O-N 3.13Å; W403-H405 PolarHBondContact O-N 2.83Å; H405-L408 PolarHBondContact O-N 3.43Å; H405-K410 PolarHBondContact O-N 2.93Å; H405-S411 PolarHBondContact CD2-O 3.44Å; H405-D590 PolarHBondContact NE2-O 2.9Å; H405-L592 HydrophobicContact CB-CB 4.45Å; H405-L592 HydrophobicContact CB-CD2 3.65Å; H405-L592 VanDerWaalsContact CD2-CB 3.44Å; H405-L592 WeakPolarHBondContact CD2-CB 3.31Å
406V93.6Very high93.4Very high0 Ų014.2 Ų14.20%07%0.069CC..Hα-helixtrans-69.4-35.2179.6174.80000111.1A402 W403 L408 G409 V412 T429 Q567 L569A402-V406 VanDerWaalsContact O-CB 3.3Å; A402-V406 WeakPolarHBondContact O-CB 3.36Å; A402-V406 VanDerWaalsContact O-CG2 3.23Å; A402-V406 WeakPolarHBondContact O-CG2 3.34Å; A402-V406 PolarHBondContact O-N 3.05Å; W403-V406 PolarHBondContact O-N 3.15Å; V406-L408 PolarHBondContact O-N 2.75Å; V406-G409 WeakPolarHBondContact O-CA 3.5Å; V406-G409 PolarHBondContact O-N 3.38Å; V406-V412 HydrophobicContact CG2-CB 3.74Å; V406-V412 HydrophobicContact CG2-CG1 3.61Å; V406-V412 HydrophobicContact CG2-CG2 4.26Å; V406-T429 HydrophobicContact CG1-CG2 4.03Å; V406-Q567 PolarHBondContact O-NE2 3.18Å; V406-L569 HydrophobicContact CG1-CD2 4.01Å; V406-L569 HydrophobicContact CG2-CD2 4.18Å
407S90.3Very high93.1Very high2 Ų211.2 Ų11.21%0.0146%0.062CC..THydrogen-bonded Turntrans-67.5-22.8177.971.60000113.9P375 W403 G409 R433P375-S407 WeakPolarHBondContact O-CB 2.36Å; P375-S407 PolarHBondContact O-OG 2.77Å; W403-S407 VanDerWaalsContact O-CB 3.27Å; W403-S407 WeakPolarHBondContact O-CB 3.28Å; W403-S407 PolarHBondContact O-N 3.29Å; W403-S407 PolarHBondContact O-OG 3.45Å; S407-G409 VanDerWaalsContact C-N 3.26Å; S407-G409 PolarHBondContact O-N 3.08Å; S407-R433 PolarHBondContact O-NH2 2.98Å
408L89.1Confident92.7Very high85 Ų8514.7 Ų14.745%0.4458%0.077SC..THydrogen-bonded Turntrans-80.50.6167.8-62.1176.8000113.7P404 H405 V406 K410P404-L408 WeakPolarHBondContact O-CD1 2.94Å; P404-L408 WeakPolarHBondContact O-CG 3.43Å; H405-L408 PolarHBondContact O-N 3.43Å; V406-L408 PolarHBondContact O-N 2.75Å; L408-K410 HydrophobicContact CB-CG 4.48Å
409G89.1Confident92Very high4 Ų423.2 Ų23.24%0.04112%0.117CC..THydrogen-bonded Turntrans8318.1177.700000115V406 S407 R433 Q567V406-G409 WeakPolarHBondContact O-CA 3.5Å; V406-G409 PolarHBondContact O-N 3.38Å; S407-G409 VanDerWaalsContact C-N 3.26Å; S407-G409 PolarHBondContact O-N 3.08Å; G409-R433 VanDerWaalsContact N-NH2 3.19Å; G409-Q567 WeakPolarHBondContact O-CG 3.48Å
410K92.2Very high91.5Very high25 Ų2524.2 Ų24.211%0.10912%0.122CC..  trans-95.1149.3-177.9-58.8-171.4176.7-1690113.2H363 H405 L408 Q563 Q567 D590H363-K410 PolarHBondContact CD2-NZ 3.47Å; H363-K410 PolarHBondContact CE1-NZ 3.17Å; H363-K410 PolarHBondContact ND1-NZ 2.94Å; H363-K410 PolarHBondContact NE2-NZ 3.23Å; H405-K410 PolarHBondContact O-N 2.93Å; L408-K410 HydrophobicContact CB-CG 4.48Å; K410-Q563 HydrophobicContact CG-CG 4.16Å; K410-Q567 PolarHBondContact O-NE2 3.3Å; K410-D590 WeakPolarHBondContact CA-OD2 3.31Å; K410-D590 WeakPolarHBondContact CB-OD2 3.44Å
411S94.8Very high91.2Very high1 Ų124 Ų241%0.00712%0.124CC..  trans-67.4145.5-174-48.80000112.6H405 L568 D590 V591 L592H405-S411 PolarHBondContact CD2-O 3.44Å; S411-L568 WeakPolarHBondContact CA-O 3.27Å; S411-L568 VanDerWaalsContact CB-O 3.25Å; S411-L568 WeakPolarHBondContact CB-O 3.45Å; S411-D590 WeakPolarHBondContact CB-OD1 3.15Å; S411-D590 PolarHBondContact N-OD1 2.86Å; S411-D590 PolarHBondContact N-OD2 3.41Å; S411-D590 PolarHBondContact OG-OD1 3.23Å; S411-V591 WeakPolarHBondContact O-CA 3.26Å; S411-L592 PolarHBondContact O-N 3.36Å
412V96Very high91.1Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-136.2138.6179.781.20000112.4A402 V406 V414 Y426 L568 L569 V570 M588 L592A402-V412 HydrophobicContact CB-CG2 4.32Å; V406-V412 HydrophobicContact CG2-CB 3.74Å; V406-V412 HydrophobicContact CG2-CG1 3.61Å; V406-V412 HydrophobicContact CG2-CG2 4.26Å; V412-V414 HydrophobicContact CG1-CG2 4.32Å; V412-V414 HydrophobicContact CG2-CG2 3.95Å; V412-Y426 HydrophobicContact CG1-CD1 4.3Å; V412-L568 PolarHBondContact N-O 3.14Å; V412-L568 VanDerWaalsContact N-O 3.16Å; V412-L569 HydrophobicContact CG1-CD2 3.73Å; V412-V570 PolarHBondContact O-N 3.17Å; V412-M588 VanDerWaalsContact O-CE 3.29Å; V412-M588 WeakPolarHBondContact O-CE 3.47Å; V412-L592 WeakPolarHBondContact CA-O 3.39Å; V412-L592 HydrophobicContact CG2-CB 4.25Å; V412-L592 HydrophobicContact CG2-CD2 4.3Å; V412-L592 HydrophobicContact CG2-CG 4.35Å; V412-L592 WeakPolarHBondContact CG2-O 3.3Å
413L96.6Very high91.1Very high0 Ų025.3 Ų25.30%013%0.131CC..EExtended strand (participates in β ladder)trans-122.7109.6173.8172.356.6000109.2V415 V570 W575 M580 I584 L585 M588 V591 L592 V593 L594L413-V415 HydrophobicContact CD1-CG2 4.16Å; L413-V415 HydrophobicContact CG-CG2 4.36Å; L413-V570 WeakPolarHBondContact CA-O 3.49Å; L413-V570 HydrophobicContact CD1-CB 3.75Å; L413-V570 HydrophobicContact CD1-CG1 3.61Å; L413-W575 HydrophobicContact CD2-CH2 4.12Å; L413-W575 HydrophobicContact CD2-CZ3 3.65Å; L413-W575 HydrophobicContact CG-CZ3 4.49Å; L413-M580 HydrophobicContact CD1-CE 4.42Å; L413-M580 HydrophobicContact CD1-SD 4.05Å; L413-M580 HydrophobicContact CD2-SD 4.1Å; L413-I584 HydrophobicContact CD2-CG2 4.41Å; L413-L585 HydrophobicContact CD2-CD2 4.1Å; L413-M588 HydrophobicContact CB-CE 4.23Å; L413-V591 HydrophobicContact CB-CG2 4.17Å; L413-L592 PolarHBondContact N-O 3.4Å; L413-V593 HydrophobicContact CB-CG2 4.43Å; L413-V593 HydrophobicContact CD2-CG1 4.26Å; L413-V593 HydrophobicContact CD2-CG2 4.42Å; L413-V593 HydrophobicContact CG-CG1 4.29Å; L413-V593 CarbonylContact O-C 3.57Å; L413-V593 WeakPolarHBondContact O-CA 3.48Å; L413-L594 PolarHBondContact O-N 2.85Å
414V96.8Very high91.1Very high0 Ų026.5 Ų26.50%014%0.136CC..EExtended strand (participates in β ladder)trans-110.3117.9-176.9-169.20000110.7V398 V412 K422 V570 S571 G572 L594V398-V414 HydrophobicContact CB-CG1 4.04Å; V398-V414 HydrophobicContact CG1-CG1 4.03Å; V398-V414 HydrophobicContact CG2-CG1 4.17Å; V412-V414 HydrophobicContact CG1-CG2 4.32Å; V412-V414 HydrophobicContact CG2-CG2 3.95Å; V414-K422 HydrophobicContact CB-CD 4.46Å; V414-K422 HydrophobicContact CB-CG 4.43Å; V414-K422 HydrophobicContact CG1-CB 4.38Å; V414-K422 HydrophobicContact CG1-CD 4.2Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.36Å; V414-V570 PolarHBondContact N-O 2.96Å; V414-S571 CarbonylContact O-C 3.46Å; V414-S571 WeakPolarHBondContact O-CA 3.45Å; V414-G572 PolarHBondContact O-N 2.56Å; V414-L594 HydrophobicContact CG1-CB 4.38Å; V414-L594 HydrophobicContact CG2-CD1 4.34Å
415V95.5Very high91.1Very high0 Ų025.8 Ų25.80%013%0.131CC..EExtended strand (participates in β ladder)trans-117.6135.2-179.3-179.70000110.7L413 W575 L594 F595 D596 E600L413-V415 HydrophobicContact CD1-CG2 4.16Å; L413-V415 HydrophobicContact CG-CG2 4.36Å; V415-W575 HydrophobicContact CG2-CE3 4.16Å; V415-L594 PolarHBondContact N-O 3.47Å; V415-F595 HydrophobicContact CB-CD1 4.04Å; V415-F595 HydrophobicContact CB-CE1 4.27Å; V415-F595 HydrophobicContact CG1-CD1 4.22Å; V415-F595 HydrophobicContact CG1-CE1 4.42Å; V415-F595 WeakPolarHBondContact O-CA 3.33Å; V415-D596 PolarHBondContact O-N 2.72Å; V415-E600 HydrophobicContact CG1-CB 4.28Å
416G91.8Very high91.2Very high0 Ų025.7 Ų25.70%013%0.131CC..  trans155.6-173.8175.100000112.7K422 G572 R573G416-K422 PolarHBondContact O-NZ 2.57Å; G416-G572 PolarHBondContact N-O 3.3Å; G416-G572 VanDerWaalsContact N-O 3.16Å; G416-R573 WeakPolarHBondContact O-CA 3.39Å
417N86.3Confident91.3Very high65 Ų6525.7 Ų25.735%0.34813%0.131SC..  trans-59.4173.3-167.6-65.3-77.1000115I420 K422 D597 K718N417-I420 HydrophobicContact CB-CG2 3.96Å; N417-K422 PolarHBondContact O-NZ 3.47Å; N417-D597 PolarHBondContact ND2-OD2 3.44Å; N417-D597 PolarHBondContact OD1-OD2 3.15Å; N417-K718 PolarHBondContact OD1-NZ 3.4Å
418L80.6Confident91.5Very high96 Ų9625.6 Ų25.650%0.50313%0.13SC..THydrogen-bonded Turntrans-60.5156.5166.4-86179.5000110.9I420L418-I420 PolarHBondContact O-N 2.89Å
419Q79.8Confident91.7Very high179 Ų17921.8 Ų21.884%0.83611%0.11SC*.THydrogen-bonded Turntrans58.62.6172.5-59.3-178.52.300117.3R396 G421R396-Q419 PolarHBondContact NH1-O 3.41Å; Q419-G421 PolarHBondContact O-N 2.9Å
420I83.1Confident92Very high23 Ų2321.9 Ų21.912%0.11811%0.11CC..SBendtrans-64.4-20.8177.169.7171.8000113.3R396 V398 N417 L418 K422 D596R396-I420 WeakPolarHBondContact CD-O 3.28Å; R396-I420 PolarHBondContact NH1-O 2.87Å; R396-I420 VanDerWaalsContact NH1-O 3.09Å; V398-I420 HydrophobicContact CG2-CD1 4.5Å; N417-I420 HydrophobicContact CB-CG2 3.96Å; L418-I420 PolarHBondContact O-N 2.89Å; I420-K422 HydrophobicContact CD1-CD 4.18Å; I420-K422 HydrophobicContact CD1-CG 3.65Å; I420-K422 HydrophobicContact CG1-CD 4.44Å; I420-K422 HydrophobicContact CG1-CG 3.57Å; I420-D596 HydrophobicContact CD1-CB 3.45Å; I420-D596 VanDerWaalsContact CD1-CB 3.45Å; I420-D596 VanDerWaalsContact CG2-OD2 3.27Å; I420-D596 WeakPolarHBondContact CG2-OD2 3.36Å
421G87.4Confident92.1Very high8 Ų820.7 Ų20.78%0.08211%0.105CC..  trans103.429.6178.400000114.5Q399 Q419 W424 S425Q399-G421 PolarHBondContact NE2-O 2.96Å; Q419-G421 PolarHBondContact O-N 2.9Å; G421-W424 CarbonylContact O-C 3.51Å; G421-W424 WeakPolarHBondContact O-CB 3.32Å; G421-W424 PolarHBondContact O-N 3.32Å; G421-S425 PolarHBondContact O-N 2.88Å; G421-S425 VanDerWaalsContact O-N 3.09Å; G421-S425 PolarHBondContact O-OG 3.38Å
422K93.7Very high92Very high10 Ų1021.4 Ų21.44%0.04311%0.108CC..SBendtrans-53.3-56.6179-62.2-163.9-70.8-94.80113V414 G416 N417 I420 W424 S425 Y426 N536 S571 G572V414-K422 HydrophobicContact CB-CD 4.46Å; V414-K422 HydrophobicContact CB-CG 4.43Å; V414-K422 HydrophobicContact CG1-CB 4.38Å; V414-K422 HydrophobicContact CG1-CD 4.2Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.36Å; G416-K422 PolarHBondContact O-NZ 2.57Å; N417-K422 PolarHBondContact O-NZ 3.47Å; I420-K422 HydrophobicContact CD1-CD 4.18Å; I420-K422 HydrophobicContact CD1-CG 3.65Å; I420-K422 HydrophobicContact CG1-CD 4.44Å; I420-K422 HydrophobicContact CG1-CG 3.57Å; K422-W424 VanDerWaalsContact C-N 3.29Å; K422-W424 PolarHBondContact O-N 2.63Å; K422-S425 WeakPolarHBondContact O-CA 3.42Å; K422-S425 WeakPolarHBondContact O-CB 3.34Å; K422-S425 PolarHBondContact O-N 3.14Å; K422-S425 PolarHBondContact O-OG 2.95Å; K422-Y426 WeakPolarHBondContact O-CD1 3.19Å; K422-Y426 WeakPolarHBondContact O-CE1 3.45Å; K422-N536 WeakPolarHBondContact CE-OD1 3.16Å; K422-S571 WeakPolarHBondContact CB-OG 3.29Å; K422-S571 WeakPolarHBondContact CD-OG 3.18Å; K422-S571 WeakPolarHBondContact CE-OG 3.32Å; K422-G572 WeakPolarHBondContact CD-O 3.45Å; K422-G572 WeakPolarHBondContact CE-O 3.07Å; K422-G572 PolarHBondContact NZ-O 3.27Å
423T94.8Very high91.8Very high17 Ų1725.6 Ų25.610%0.10412%0.124CC..G310 helixtrans-53.4-47.2177.1-34.10000111.2S425 Y426 L427 F452 I463 W466 D535T423-S425 PolarHBondContact O-N 3.38Å; T423-S425 VanDerWaalsContact O-N 3.08Å; T423-Y426 PolarHBondContact O-N 2.98Å; T423-L427 HydrophobicContact CG2-CB 4.4Å; T423-L427 HydrophobicContact CG2-CD2 4.33Å; T423-L427 WeakPolarHBondContact O-CB 3.35Å; T423-L427 PolarHBondContact O-N 3.01Å; T423-F452 HydrophobicContact CG2-CZ 4.01Å; T423-I463 HydrophobicContact CG2-CD1 4.1Å; T423-I463 HydrophobicContact CG2-CG1 4.2Å; T423-W466 HydrophobicContact CG2-CZ3 4.39Å; T423-D535 WeakPolarHBondContact CB-OD2 3.33Å; T423-D535 WeakPolarHBondContact CG2-OD2 3.4Å; T423-D535 PolarHBondContact OG1-OD2 2.8Å
424W94.4Very high91.7Very high24 Ų2425.8 Ų25.89%0.09113%0.126CC..G310 helixtrans-64.6-8.7175.5-76.7106.6000115.4M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470M385-W424 HydrophobicContact CE-CE3 4.2Å; M385-W424 HydrophobicContact CE-CZ3 4.47Å; M385-W424 HydrophobicContact CG-CZ3 4.08Å; M388-W424 HydrophobicContact CE-CH2 3.7Å; M388-W424 HydrophobicContact CE-CZ3 4.43Å; M388-W424 HydrophobicContact SD-CH2 3.76Å; M388-W424 HydrophobicContact SD-CZ2 4.13Å; V390-W424 HydrophobicContact CG1-CD2 4.23Å; V390-W424 HydrophobicContact CG1-CE3 4.08Å; V390-W424 HydrophobicContact CG2-CD2 3.87Å; V390-W424 HydrophobicContact CG2-CE3 3.96Å; V390-W424 HydrophobicContact CG2-CH2 3.95Å; V390-W424 HydrophobicContact CG2-CZ2 3.83Å; V390-W424 HydrophobicContact CG2-CZ3 4Å; Q399-W424 VanDerWaalsContact NE2-CB 3.32Å; W403-W424 PolarHBondContact NE1-O 3.14Å; G421-W424 CarbonylContact O-C 3.51Å; G421-W424 WeakPolarHBondContact O-CB 3.32Å; G421-W424 PolarHBondContact O-N 3.32Å; K422-W424 VanDerWaalsContact C-N 3.29Å; K422-W424 PolarHBondContact O-N 2.63Å; W424-Y426 VanDerWaalsContact C-N 3.27Å; W424-L427 HydrophobicContact CH2-CD2 4.41Å; W424-L427 HydrophobicContact CZ2-CD2 4.49Å; W424-L427 HydrophobicContact CZ3-CD2 4.48Å; W424-P428 HydrophobicContact CE3-CG 3.92Å; W424-P428 HydrophobicContact CZ3-CG 4.13Å; W424-W466 HydrophobicContact CH2-CB 4.14Å; W424-W466 HydrophobicContact CH2-CG 4.29Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.77Å; W424-W466 AromaticContact CZ2-CD2 3.8Å; W424-W466 HydrophobicContact CZ2-CD2 3.8Å; W424-W466 HydrophobicContact CZ2-CE3 4.39Å; W424-W466 AromaticContact CZ2-CG 3.54Å; W424-W466 HydrophobicContact CZ2-CG 3.54Å; W424-W466 AromaticContact NE1-CD2 3.88Å; W424-W466 AromaticContact NE1-CE2 3.85Å; W424-W466 AromaticContact NE1-CE3 3.93Å; W424-W466 AromaticContact NE1-CZ2 3.93Å; W424-L470 HydrophobicContact CH2-CD1 4.18Å; W424-L470 HydrophobicContact CH2-CG 4.47Å; W424-L470 HydrophobicContact CZ3-CD1 4.02Å; W424-L470 HydrophobicContact CZ3-CD2 4.24Å
425S94.9Very high91.5Very high0 Ų026.6 Ų26.60%013%0.129CC..G310 helixtrans-78.5-12175.2-53.20000112.8Q399 A402 G421 K422 T423Q399-S425 WeakPolarHBondContact CG-OG 3.24Å; A402-S425 WeakPolarHBondContact CB-O 3.48Å; G421-S425 PolarHBondContact O-N 2.88Å; G421-S425 VanDerWaalsContact O-N 3.09Å; G421-S425 PolarHBondContact O-OG 3.38Å; K422-S425 WeakPolarHBondContact O-CA 3.42Å; K422-S425 WeakPolarHBondContact O-CB 3.34Å; K422-S425 PolarHBondContact O-N 3.14Å; K422-S425 PolarHBondContact O-OG 2.95Å; T423-S425 PolarHBondContact O-N 3.38Å; T423-S425 VanDerWaalsContact O-N 3.08Å
426Y95.3Very high91.3Very high0 Ų029.7 Ų29.70%014%0.143CC..THydrogen-bonded Turntrans-142.8-25.6177.655.1-97.3000114.7V412 K422 T423 W424 T429 V430 F452 A533 D535 L569V412-Y426 HydrophobicContact CG1-CD1 4.3Å; K422-Y426 WeakPolarHBondContact O-CD1 3.19Å; K422-Y426 WeakPolarHBondContact O-CE1 3.45Å; T423-Y426 PolarHBondContact O-N 2.98Å; W424-Y426 VanDerWaalsContact C-N 3.27Å; Y426-T429 WeakPolarHBondContact O-CB 3.31Å; Y426-T429 PolarHBondContact O-N 3.24Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; Y426-V430 HydrophobicContact CD2-CG2 4.08Å; Y426-V430 PolarHBondContact O-N 2.85Å; Y426-F452 AromaticContact CE2-CE2 3.8Å; Y426-F452 HydrophobicContact CE2-CE2 3.8Å; Y426-F452 AromaticContact CE2-CZ 3.87Å; Y426-F452 HydrophobicContact CE2-CZ 3.87Å; Y426-A533 HydrophobicContact CE2-CB 4.13Å; Y426-D535 VanDerWaalsContact OH-CB 3.29Å; Y426-D535 WeakPolarHBondContact OH-CB 3.48Å; Y426-D535 PolarHBondContact OH-OD1 3.05Å; Y426-D535 VanDerWaalsContact OH-OD1 3.07Å; Y426-L569 HydrophobicContact CD2-CB 4.27Å; Y426-L569 HydrophobicContact CD2-CD1 3.75Å; Y426-L569 HydrophobicContact CG-CB 4.3Å; Y426-L569 HydrophobicContact CG-CD1 4.01Å
427L95.7Very high91.2Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-49.2-42.5-178.6-176.766.8000115.2T423 W424 T429 V430 C431 F452 I463 W466 M467 L470T423-L427 HydrophobicContact CG2-CB 4.4Å; T423-L427 HydrophobicContact CG2-CD2 4.33Å; T423-L427 WeakPolarHBondContact O-CB 3.35Å; T423-L427 PolarHBondContact O-N 3.01Å; W424-L427 HydrophobicContact CH2-CD2 4.41Å; W424-L427 HydrophobicContact CZ2-CD2 4.49Å; W424-L427 HydrophobicContact CZ3-CD2 4.48Å; L427-T429 VanDerWaalsContact C-N 3.35Å; L427-T429 PolarHBondContact O-N 2.72Å; L427-V430 PolarHBondContact O-N 3.5Å; L427-C431 PolarHBondContact O-N 3.47Å; L427-C431 PolarHBondContact O-SG 2.96Å; L427-C431 VanDerWaalsContact O-SG 3.34Å; L427-F452 HydrophobicContact CD1-CE2 4.02Å; L427-I463 HydrophobicContact CD1-CG2 4.33Å; L427-W466 HydrophobicContact CD2-CB 3.78Å; L427-W466 HydrophobicContact CD2-CE3 4.02Å; L427-M467 HydrophobicContact CD1-CE 3.65Å; L427-M467 HydrophobicContact CD1-CG 3.81Å; L427-L470 HydrophobicContact CD2-CD1 4.19Å; L427-L470 HydrophobicContact CG-CD1 3.89Å
428P94.3Very high91.5Very high0 Ų028.6 Ų28.60%014%0.138CC..Hα-helixtrans-60.1-44.6178.2-2233.2000112.7I381 M385 W424 C431 Q432I381-P428 HydrophobicContact CG2-CB 3.68Å; M385-P428 HydrophobicContact CE-CB 4.17Å; M385-P428 HydrophobicContact CE-CG 3.41Å; M385-P428 VanDerWaalsContact CE-CG 3.41Å; M385-P428 HydrophobicContact CG-CG 4.36Å; M385-P428 HydrophobicContact SD-CB 3.52Å; M385-P428 VanDerWaalsContact SD-CB 3.52Å; M385-P428 HydrophobicContact SD-CG 3.45Å; M385-P428 WeakPolarHBondContact SD-CG 3.25Å; W424-P428 HydrophobicContact CE3-CG 3.92Å; W424-P428 HydrophobicContact CZ3-CG 4.13Å; P428-C431 PolarHBondContact O-N 3.08Å; P428-Q432 WeakPolarHBondContact O-CB 3.41Å; P428-Q432 PolarHBondContact O-N 2.74Å
429T92.7Very high91.9Very high6 Ų627.1 Ų27.14%0.03713%0.128CC..Hα-helixtrans-68.3-38.4178.1-50.70000111.5V406 Y426 L427 Q432 R433V406-T429 HydrophobicContact CG1-CG2 4.03Å; Y426-T429 WeakPolarHBondContact O-CB 3.31Å; Y426-T429 PolarHBondContact O-N 3.24Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; L427-T429 VanDerWaalsContact C-N 3.35Å; L427-T429 PolarHBondContact O-N 2.72Å; T429-Q432 PolarHBondContact O-N 3.38Å; T429-R433 HydrophobicContact CG2-CG 4.18Å; T429-R433 WeakPolarHBondContact O-CB 3.29Å; T429-R433 WeakPolarHBondContact O-CG 3.38Å; T429-R433 PolarHBondContact O-N 2.75Å
430V94.7Very high92.3Very high5 Ų526 Ų263%0.0312%0.116CC..Hα-helixtrans-59.5-50.7174.3170.20000110.7Y426 L427 S434 C450 I505 L569Y426-V430 HydrophobicContact CD2-CG2 4.08Å; Y426-V430 PolarHBondContact O-N 2.85Å; L427-V430 PolarHBondContact O-N 3.5Å; V430-S434 WeakPolarHBondContact O-CB 3.4Å; V430-S434 PolarHBondContact O-N 3.43Å; V430-C450 HydrophobicContact CG1-CB 4.26Å; V430-C450 VanDerWaalsContact CG1-SG 3.51Å; V430-I505 HydrophobicContact CG1-CD1 4.2Å; V430-L569 HydrophobicContact CG2-CD1 3.34Å
431C95Very high92.5Very high0 Ų026.4 Ų26.40%012%0.117CC..Hα-helixtrans-60.3-49.3178.8-65.90000111.6L427 P428 H435 L470 L471L427-C431 PolarHBondContact O-N 3.47Å; L427-C431 PolarHBondContact O-SG 2.96Å; L427-C431 VanDerWaalsContact O-SG 3.34Å; P428-C431 PolarHBondContact O-N 3.08Å; C431-H435 WeakPolarHBondContact O-CB 3.43Å; C431-H435 PolarHBondContact O-N 3.01Å; C431-L470 HydrophobicContact CB-CB 3.89Å; C431-L470 HydrophobicContact CB-CD1 4.1Å; C431-L470 VanDerWaalsContact SG-CD1 3.52Å; C431-L471 HydrophobicContact CB-CD2 3.93Å; C431-L471 HydrophobicContact CB-CG 4.08Å; C431-L471 WeakPolarHBondContact O-CD2 3.49Å
432Q93.3Very high92.3Very high17 Ų1730.1 Ų30.18%0.07914%0.139CC..Hα-helixtrans-60.7-54.3-179-164.7-172-64.200112.3D376 S378 I381 P428 T429 S434 H435 E436D376-Q432 PolarHBondContact O-NE2 3.44Å; S378-Q432 VanDerWaalsContact CB-OE1 3.24Å; S378-Q432 PolarHBondContact OG-OE1 3.47Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.21Å; P428-Q432 WeakPolarHBondContact O-CB 3.41Å; P428-Q432 PolarHBondContact O-N 2.74Å; T429-Q432 PolarHBondContact O-N 3.38Å; Q432-S434 PolarHBondContact O-N 2.8Å; Q432-H435 PolarHBondContact O-N 2.83Å; Q432-E436 HydrophobicContact CG-CG 4.49Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.43Å; Q432-E436 PolarHBondContact NE2-OE1 2.86Å; Q432-E436 WeakPolarHBondContact O-CB 3.43Å; Q432-E436 WeakPolarHBondContact O-CG 3.4Å; Q432-E436 PolarHBondContact O-N 2.88Å
433R91.8Very high91.6Very high87 Ų8735.8 Ų35.833%0.32817%0.17SC..Hα-helixtrans-63.8-42.2-179-71.9-178.3163.4-131.5-10111.8S407 G409 T429 H435 E436 D437S407-R433 PolarHBondContact O-NH2 2.98Å; G409-R433 VanDerWaalsContact N-NH2 3.19Å; T429-R433 HydrophobicContact CG2-CG 4.18Å; T429-R433 WeakPolarHBondContact O-CB 3.29Å; T429-R433 WeakPolarHBondContact O-CG 3.38Å; T429-R433 PolarHBondContact O-N 2.75Å; R433-H435 VanDerWaalsContact C-N 3.26Å; R433-H435 PolarHBondContact O-N 2.74Å; R433-E436 PolarHBondContact O-N 3.39Å; R433-D437 WeakPolarHBondContact O-CB 3.49Å; R433-D437 PolarHBondContact O-N 2.98Å
434S93.3Very high91Very high5 Ų541 Ų414%0.03520%0.201CC..Hα-helixtrans-64.6-32.3180-168.40000112.5V430 Q432 L438 G504 I505V430-S434 WeakPolarHBondContact O-CB 3.4Å; V430-S434 PolarHBondContact O-N 3.43Å; Q432-S434 PolarHBondContact O-N 2.8Å; S434-L438 VanDerWaalsContact O-CB 3.25Å; S434-L438 WeakPolarHBondContact O-CB 3.28Å; S434-L438 PolarHBondContact O-N 3.35Å; S434-G504 PolarHBondContact OG-O 2.98Å; S434-G504 VanDerWaalsContact OG-O 3.05Å; S434-I505 WeakPolarHBondContact OG-CG1 3.47Å
435H92.8Very high90.4Very high17 Ų1740.7 Ų40.78%0.07921%0.206CC..Hα-helixtrans-75.5-50.4172.917782.4000111.7C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482C431-H435 WeakPolarHBondContact O-CB 3.43Å; C431-H435 PolarHBondContact O-N 3.01Å; Q432-H435 PolarHBondContact O-N 2.83Å; R433-H435 VanDerWaalsContact C-N 3.26Å; R433-H435 PolarHBondContact O-N 2.74Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 2.93Å; H435-L438 WeakPolarHBondContact O-CA 2.95Å; H435-L438 WeakPolarHBondContact O-CB 3.33Å; H435-L438 PolarHBondContact O-N 3.05Å; H435-Q439 PolarHBondContact CE1-NE2 3.36Å; H435-Q439 WeakPolarHBondContact O-CG 3.43Å; H435-Q439 PolarHBondContact O-N 3.45Å; H435-L471 HydrophobicContact CB-CD2 3.84Å; H435-L474 HydrophobicContact CB-CD1 3.88Å; H435-G475 PolarHBondContact CE1-O 3.35Å; H435-D482 IonicContact CE1-OD1 2.79Å; H435-D482 IonicContact CG-OD1 2.66Å; H435-D482 IonicContact ND1-OD1 2.76Å; H435-D482 PolarHBondContact ND1-OD1 3.31Å
436E91.3Very high90.2Very high64 Ų6446.8 Ų46.830%0.29923%0.229SC..Hα-helixtrans-53.5-45.9177.5-79.8-176.3-134.300112.3Q432 R433 Q439 R440Q432-E436 HydrophobicContact CG-CG 4.49Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.43Å; Q432-E436 PolarHBondContact NE2-OE1 2.86Å; Q432-E436 WeakPolarHBondContact O-CB 3.43Å; Q432-E436 WeakPolarHBondContact O-CG 3.4Å; Q432-E436 PolarHBondContact O-N 2.88Å; R433-E436 PolarHBondContact O-N 3.39Å; E436-Q439 PolarHBondContact O-N 3.08Å; E436-R440 WeakPolarHBondContact O-CG 3.19Å; E436-R440 PolarHBondContact O-N 3.3Å; E436-R440 IonicContact OE2-CZ 3.67Å; E436-R440 IonicContact OE2-NH1 2.83Å; E436-R440 PolarHBondContact OE2-NH1 2.8Å; E436-R440 IonicContact OE2-NH2 2.7Å; E436-R440 PolarHBondContact OE2-NH2 3Å
437D90.8Very high90.1Very high43 Ų4346.8 Ų46.823%0.2323%0.229CC..Hα-helixtrans-73.1-28.4177.7-77.7-16.9000112.3R433 H435 R440 R441 T449R433-D437 WeakPolarHBondContact O-CB 3.49Å; R433-D437 PolarHBondContact O-N 2.98Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 2.93Å; D437-R440 CarbonylContact O-C 3.51Å; D437-R440 PolarHBondContact O-N 2.95Å; D437-R440 VanDerWaalsContact O-N 3.14Å; D437-R440 IonicContact OD1-CZ 2.68Å; D437-R440 IonicContact OD1-NH1 3.79Å; D437-R440 PolarHBondContact OD1-NH1 2.74Å; D437-R441 WeakPolarHBondContact O-CG 3.26Å; D437-R441 PolarHBondContact O-N 3.22Å; D437-T449 HydrophobicContact CB-CG2 3.75Å
438L91.8Very high90Very high0 Ų046.8 Ų46.80%023%0.229CC..Hα-helixtrans-64.9-40.6170.9-177.862.8000111.5S434 H435 R440 R441 F480 P502S434-L438 VanDerWaalsContact O-CB 3.25Å; S434-L438 WeakPolarHBondContact O-CB 3.28Å; S434-L438 PolarHBondContact O-N 3.35Å; H435-L438 WeakPolarHBondContact O-CA 2.95Å; H435-L438 WeakPolarHBondContact O-CB 3.33Å; H435-L438 PolarHBondContact O-N 3.05Å; L438-R440 PolarHBondContact O-N 3.4Å; L438-R441 HydrophobicContact CD1-CG 4.24Å; L438-R441 WeakPolarHBondContact O-CB 3.34Å; L438-R441 PolarHBondContact O-N 3.22Å; L438-R441 VanDerWaalsContact O-N 3.12Å; L438-F480 HydrophobicContact CD1-CB 3.87Å; L438-F480 HydrophobicContact CD1-CD2 3.82Å; L438-F480 HydrophobicContact CD1-CG 4.2Å; L438-F480 HydrophobicContact CD2-CB 4.01Å; L438-F480 HydrophobicContact CG-CB 4.15Å; L438-F480 HydrophobicContact CG-CD2 4.26Å; L438-P502 HydrophobicContact CD1-CB 3.83Å
439Q89Confident90.1Very high65 Ų6546.9 Ų46.930%0.30423%0.229SC..THydrogen-bonded Turntrans-65.4-16.1173-57-46.8-61.700112.9H435 E436 S478H435-Q439 PolarHBondContact CE1-NE2 3.36Å; H435-Q439 WeakPolarHBondContact O-CG 3.43Å; H435-Q439 PolarHBondContact O-N 3.45Å; E436-Q439 PolarHBondContact O-N 3.08Å; Q439-S478 PolarHBondContact NE2-OG 3.02Å; Q439-S478 VanDerWaalsContact OE1-CB 3.31Å; Q439-S478 PolarHBondContact OE1-OG 3.48Å
440R88.8Confident90.2Very high155 Ų15546.6 Ų46.659%0.58523%0.228SC*.THydrogen-bonded Turntrans-97.5-3.1175.6-61.4164.9-169.41376.4113.3E436 D437 L438E436-R440 WeakPolarHBondContact O-CG 3.19Å; E436-R440 PolarHBondContact O-N 3.3Å; E436-R440 IonicContact OE2-CZ 3.67Å; E436-R440 IonicContact OE2-NH1 2.83Å; E436-R440 PolarHBondContact OE2-NH1 2.8Å; E436-R440 IonicContact OE2-NH2 2.7Å; E436-R440 PolarHBondContact OE2-NH2 3Å; D437-R440 CarbonylContact O-C 3.51Å; D437-R440 PolarHBondContact O-N 2.95Å; D437-R440 VanDerWaalsContact O-N 3.14Å; D437-R440 IonicContact OD1-CZ 2.68Å; D437-R440 IonicContact OD1-NH1 3.79Å; D437-R440 PolarHBondContact OD1-NH1 2.74Å; L438-R440 PolarHBondContact O-N 3.4Å
441R86.9Confident90.4Very high32 Ų3246.5 Ų46.512%0.12123%0.227CC..  trans-75.1138.5179.8-72.2-72.2-170.889.5-7110.8D437 L438 G447 P448 T449 P502 A528D437-R441 WeakPolarHBondContact O-CG 3.26Å; D437-R441 PolarHBondContact O-N 3.22Å; L438-R441 HydrophobicContact CD1-CG 4.24Å; L438-R441 WeakPolarHBondContact O-CB 3.34Å; L438-R441 PolarHBondContact O-N 3.22Å; L438-R441 VanDerWaalsContact O-N 3.12Å; R441-G447 PolarHBondContact NH1-O 3.04Å; R441-P448 PolarHBondContact NH2-O 3.06Å; R441-T449 VanDerWaalsContact NH2-CA 3.3Å; R441-T449 PolarHBondContact NH2-OG1 2.89Å; R441-T449 VanDerWaalsContact NH2-OG1 3.09Å; R441-P502 HydrophobicContact CB-CB 3.9Å; R441-P502 HydrophobicContact CB-CG 4.18Å; R441-P502 HydrophobicContact CG-CB 4.08Å; R441-A528 VanDerWaalsContact NH2-C 3.33Å; R441-A528 VanDerWaalsContact NH2-CB 3.28Å; R441-A528 PolarHBondContact NH2-O 2.79Å
442P82.9Confident90.5Very high85 Ų8546.5 Ų46.555%0.55223%0.227SC*.  trans-74.9147.6163.432.5-33.9000110.8V444 G445 P502P442-V444 PolarHBondContact O-N 3.4Å; P442-G445 PolarHBondContact O-N 3.48Å; P442-P502 WeakPolarHBondContact O-CG 3.3Å
443D79.2Confident90.7Very high130 Ų13045.7 Ų45.770%0.69522%0.223SC*.THydrogen-bonded Turntrans-55.1-25.1-178.7-55.9-0.3000114.7G445 F480D443-G445 VanDerWaalsContact C-N 3.31Å; D443-F480 HydrophobicContact CB-CZ 4.38Å
444V81.4Confident90.9Very high125 Ų12541.5 Ų41.576%0.75821%0.207SC*.THydrogen-bonded Turntrans-79.8-13.2179.9-167.20000112.3P442P442-V444 PolarHBondContact O-N 3.4Å
445G82.9Confident90.7Very high18 Ų1841.8 Ų41.819%0.18621%0.209CC..  trans-66.5161.6177.500000113.3P442 D443 K501 P502P442-G445 PolarHBondContact O-N 3.48Å; D443-G445 VanDerWaalsContact C-N 3.31Å; G445-K501 CarbonylContact O-C 3.54Å; G445-P502 WeakPolarHBondContact O-CD 3.49Å; G445-P502 WeakPolarHBondContact O-CG 3.35Å
446R90Very high90.4Very high129 Ų12944.2 Ų44.249%0.48722%0.223SC..  trans-134.9128.9-172-56-168.7-178.2170.22.8113.4F524 D525R446-F524 WeakPolarHBondContact O-CB 3.47Å; R446-D525 PolarHBondContact O-N 3.32Å; R446-D525 VanDerWaalsContact O-N 3.08Å
447G92.4Very high90.4Very high0 Ų045.1 Ų45.10%023%0.227CC..EExtended strand (participates in β ladder)trans73.1-161.417100000115.1R441 L499 K501 V503R441-G447 PolarHBondContact NH1-O 3.04Å; G447-L499 VanDerWaalsContact CA-O 3.28Å; G447-L499 WeakPolarHBondContact CA-O 3.43Å; G447-L499 PolarHBondContact N-O 3.26Å; G447-K501 WeakPolarHBondContact CA-O 3.5Å; G447-K501 PolarHBondContact N-O 2.88Å; G447-V503 PolarHBondContact O-N 2.81Å
448P95.3Very high90.3Very high0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-78.3154.7-158.931.7-31.6000112.4R441 C450 I451 V503 L506 V529R441-P448 PolarHBondContact NH2-O 3.06Å; P448-C450 WeakPolarHBondContact CB-O 3.26Å; P448-I451 HydrophobicContact CG-CD1 4.41Å; P448-I451 HydrophobicContact CG-CG1 3.8Å; P448-V503 CarbonylContact C-O 3.54Å; P448-V503 VanDerWaalsContact CA-O 3.27Å; P448-V503 WeakPolarHBondContact CA-O 3.4Å; P448-L506 HydrophobicContact CB-CB 3.78Å; P448-L506 HydrophobicContact CG-CB 3.92Å; P448-L506 HydrophobicContact CG-CD2 4.41Å; P448-V529 HydrophobicContact CG-CG2 4.28Å; P448-V529 WeakPolarHBondContact O-CG2 3.31Å
449T94.8Very high90.1Very high2 Ų247.5 Ų47.51%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-84.4-34.8161.6-63.50000110.9D437 R441 V503 G504 V529 K530 C531D437-T449 HydrophobicContact CB-CG2 3.75Å; R441-T449 VanDerWaalsContact NH2-CA 3.3Å; R441-T449 PolarHBondContact NH2-OG1 2.89Å; R441-T449 VanDerWaalsContact NH2-OG1 3.09Å; T449-V503 PolarHBondContact N-O 3.01Å; T449-G504 PolarHBondContact N-O 2.92Å; T449-V529 CarbonylContact O-C 3.59Å; T449-V529 WeakPolarHBondContact O-CA 3.42Å; T449-K530 HydrophobicContact CG2-CB 4.24Å; T449-K530 HydrophobicContact CG2-CG 4.13Å; T449-K530 PolarHBondContact O-N 3.14Å; T449-C531 PolarHBondContact O-N 3.21Å
450C96.6Very high90.4Very high0 Ų044.4 Ų44.40%024%0.236CC..EExtended strand (participates in β ladder)trans-125.4135.3176-1770000111.5V430 P448 G504 I505 L506 C531V430-C450 HydrophobicContact CG1-CB 4.26Å; V430-C450 VanDerWaalsContact CG1-SG 3.51Å; P448-C450 WeakPolarHBondContact CB-O 3.26Å; C450-G504 PolarHBondContact N-O 3.19Å; C450-I505 HydrophobicContact CB-CG1 4.22Å; C450-I505 HydrophobicContact CB-CG2 4.32Å; C450-I505 CarbonylContact O-C 3.59Å; C450-I505 WeakPolarHBondContact O-CA 3.41Å; C450-L506 PolarHBondContact O-N 3.49Å; C450-C531 WeakPolarHBondContact CA-O 3.19Å; C450-C531 HydrophobicContact CB-CB 4.18Å; C450-C531 VanDerWaalsContact SG-SG 3.67Å
451I97.5Very high90.6Very high2 Ų241.3 Ų41.31%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-103.8122.7167.6-58174.5000108.2P448 V453 L513 F524 V529 C531 I532 A533 F559P448-I451 HydrophobicContact CG-CD1 4.41Å; P448-I451 HydrophobicContact CG-CG1 3.8Å; I451-V453 HydrophobicContact CG2-CG2 4.13Å; I451-L513 HydrophobicContact CG2-CD1 4.17Å; I451-L513 HydrophobicContact CG2-CD2 3.86Å; I451-F524 HydrophobicContact CD1-CE1 4.48Å; I451-F524 HydrophobicContact CD1-CE2 4Å; I451-F524 HydrophobicContact CD1-CZ 3.67Å; I451-V529 HydrophobicContact CD1-CG1 4.25Å; I451-V529 HydrophobicContact CD1-CG2 4.15Å; I451-V529 HydrophobicContact CG1-CG1 4.21Å; I451-V529 HydrophobicContact CG1-CG2 4.39Å; I451-C531 PolarHBondContact N-O 3.39Å; I451-I532 HydrophobicContact CB-CG1 4.39Å; I451-I532 CarbonylContact O-C 3.56Å; I451-I532 WeakPolarHBondContact O-CA 3.32Å; I451-A533 PolarHBondContact O-N 2.89Å; I451-F559 HydrophobicContact CD1-CE1 4.36Å; I451-F559 HydrophobicContact CD1-CZ 3.81Å
452F98.2Very high90.9Very high0 Ų044.7 Ų44.70%024%0.244CC..EExtended strand (participates in β ladder)trans-116.9118.6179.7-156.6-63.5000109.5T423 Y426 L427 I463 M467 I505 L506 L507 T508 A533 D535T423-F452 HydrophobicContact CG2-CZ 4.01Å; Y426-F452 AromaticContact CE2-CE2 3.8Å; Y426-F452 HydrophobicContact CE2-CE2 3.8Å; Y426-F452 AromaticContact CE2-CZ 3.87Å; Y426-F452 HydrophobicContact CE2-CZ 3.87Å; L427-F452 HydrophobicContact CD1-CE2 4.02Å; 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 4.05Å; F452-M467 HydrophobicContact CB-CE 4.09Å; F452-M467 HydrophobicContact CD1-CE 4.42Å; F452-M467 HydrophobicContact CD2-CE 3.25Å; F452-M467 HydrophobicContact CE2-CE 3.7Å; F452-M467 HydrophobicContact CG-CE 3.67Å; F452-M467 HydrophobicContact CZ-CE 4.46Å; F452-I505 HydrophobicContact CB-CG2 3.98Å; F452-L506 PolarHBondContact N-O 3.31Å; F452-L507 HydrophobicContact CB-CB 4.44Å; F452-L507 HydrophobicContact CB-CD1 3.87Å; F452-L507 HydrophobicContact CD1-CD1 3.52Å; F452-L507 HydrophobicContact CE1-CD1 4.39Å; F452-L507 HydrophobicContact CG-CD1 3.94Å; F452-L507 WeakPolarHBondContact O-CA 3.37Å; F452-T508 PolarHBondContact O-N 3.44Å; F452-A533 HydrophobicContact CD1-CB 4.39Å; F452-A533 HydrophobicContact CD2-CB 3.55Å; F452-A533 HydrophobicContact CE2-CB 3.73Å; F452-A533 HydrophobicContact CG-CB 3.91Å; F452-A533 HydrophobicContact CZ-CB 4.2Å; F452-D535 HydrophobicContact CE1-CB 3.73Å; F452-D535 HydrophobicContact CZ-CB 4.07Å
453V97.8Very high91.5Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-112.1131.7-179.3-168.40000109.2I451 T508 V510 L513 A533 L534 D535 M540I451-V453 HydrophobicContact CG2-CG2 4.13Å; V453-T508 WeakPolarHBondContact CA-O 3.38Å; V453-V510 HydrophobicContact CG1-CG2 3.72Å; V453-L513 HydrophobicContact CG2-CD2 3.67Å; V453-A533 PolarHBondContact N-O 3.09Å; V453-L534 HydrophobicContact CB-CD2 3.89Å; V453-L534 HydrophobicContact CG2-CD2 3.91Å; V453-D535 PolarHBondContact O-N 3.01Å; V453-M540 HydrophobicContact CB-CE 4.11Å; V453-M540 HydrophobicContact CG1-CE 4.01Å; V453-M540 HydrophobicContact CG1-SD 3.99Å; V453-M540 WeakPolarHBondContact O-CE 3.22Å
454C95.1Very high92.2Very high0 Ų037 Ų370%020%0.196CC..  trans-132167.3172.373.70000111.5N456 G460 I463 W487 T508C454-N456 PolarHBondContact O-N 3.17Å; C454-N456 PolarHBondContact SG-O 3.43Å; C454-N456 VanDerWaalsContact SG-O 3.35Å; C454-G460 WeakPolarHBondContact SG-CA 3.26Å; C454-G460 PolarHBondContact SG-N 2.9Å; C454-I463 HydrophobicContact CB-CD1 4.33Å; C454-W487 WeakPolarHBondContact SG-CH2 3.46Å; C454-T508 PolarHBondContact N-O 3.46Å
455P89.3Confident92.8Very high11 Ų1139.8 Ų39.87%0.07119%0.193CC..SBendtrans-74.6-22.5-169.5-16.231.1000115.1Q459 D535 N536 D539 M540P455-Q459 VanDerWaalsContact CD-OE1 3.25Å; P455-D535 WeakPolarHBondContact CD-O 3.42Å; P455-N536 HydrophobicContact CG-CB 3.88Å; P455-D539 HydrophobicContact CB-CB 3.73Å; P455-D539 HydrophobicContact CG-CB 3.52Å; P455-M540 HydrophobicContact CB-CG 4.24Å; P455-M540 HydrophobicContact CG-CG 4.05Å
456N87.4Confident93.4Very high68 Ų6841.8 Ų41.836%0.36420%0.195SC..SBendtrans-162.9161.8-179.157.774.1000112.3C454 G458 Q459 G460C454-N456 PolarHBondContact O-N 3.17Å; C454-N456 PolarHBondContact SG-O 3.43Å; C454-N456 VanDerWaalsContact SG-O 3.35Å; N456-G458 PolarHBondContact O-N 3.12Å; N456-G458 WeakPolarHBondContact OD1-CA 3.19Å; N456-G458 PolarHBondContact OD1-N 2.98Å; N456-G458 VanDerWaalsContact OD1-N 3.08Å; N456-Q459 PolarHBondContact O-N 3.18Å; N456-Q459 PolarHBondContact OD1-N 3.07Å; N456-G460 PolarHBondContact O-N 2.93Å
457Q89.8Confident93.6Very high83 Ų8335.7 Ų35.739%0.38817%0.172SC..Hα-helixtrans-56.8-30.5177.4-175.3-169.381.900113.5G460 K461 W487Q457-G460 PolarHBondContact O-N 2.99Å; Q457-K461 VanDerWaalsContact CD-CE 3.44Å; Q457-K461 VanDerWaalsContact CD-NZ 3.26Å; Q457-K461 HydrophobicContact CG-CD 3.89Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.39Å; Q457-K461 WeakPolarHBondContact O-CG 3.41Å; Q457-K461 PolarHBondContact O-N 2.97Å; Q457-W487 HydrophobicContact CB-CB 4.4Å; Q457-W487 HydrophobicContact CB-CD2 4.08Å; Q457-W487 HydrophobicContact CB-CE3 4.07Å; Q457-W487 HydrophobicContact CB-CG 4.24Å; Q457-W487 HydrophobicContact CG-CB 3.92Å; Q457-W487 HydrophobicContact CG-CD2 3.87Å; Q457-W487 HydrophobicContact CG-CE3 4.38Å; Q457-W487 HydrophobicContact CG-CG 3.64Å
458G89.1Confident93.6Very high52 Ų5238.6 Ų38.654%0.53619%0.192SC..Hα-helixtrans-64.7-49.8-179.800000112.4N456 G460 Q462N456-G458 PolarHBondContact O-N 3.12Å; N456-G458 WeakPolarHBondContact OD1-CA 3.19Å; N456-G458 PolarHBondContact OD1-N 2.98Å; N456-G458 VanDerWaalsContact OD1-N 3.08Å; G458-G460 VanDerWaalsContact C-N 3.33Å; G458-Q462 PolarHBondContact O-N 3.28Å
459Q88.6Confident93.4Very high40 Ų4041.3 Ų41.319%0.18721%0.209CC..Hα-helixtrans-64.7-40.1170.7-65.5-174.816.700110.9P455 N456 K461 Q462 I463 N536P455-Q459 VanDerWaalsContact CD-OE1 3.25Å; N456-Q459 PolarHBondContact O-N 3.18Å; N456-Q459 PolarHBondContact OD1-N 3.07Å; Q459-K461 PolarHBondContact O-N 3.12Å; Q459-Q462 WeakPolarHBondContact O-CB 3.44Å; Q459-Q462 PolarHBondContact O-N 2.81Å; Q459-Q462 VanDerWaalsContact O-N 3.13Å; Q459-I463 WeakPolarHBondContact O-CG1 3.48Å; Q459-I463 PolarHBondContact O-N 3.05Å; Q459-N536 PolarHBondContact OE1-ND2 2.94Å
460G93.5Very high93.3Very high0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-53.7-54176.700000113.7C454 N456 Q457 G458 Q462 I463 E464 W487C454-G460 WeakPolarHBondContact SG-CA 3.26Å; C454-G460 PolarHBondContact SG-N 2.9Å; N456-G460 PolarHBondContact O-N 2.93Å; Q457-G460 PolarHBondContact O-N 2.99Å; G458-G460 VanDerWaalsContact C-N 3.33Å; G460-Q462 PolarHBondContact O-N 2.84Å; G460-I463 PolarHBondContact O-N 2.75Å; G460-I463 VanDerWaalsContact O-N 3.09Å; G460-E464 WeakPolarHBondContact O-CB 3.33Å; G460-E464 PolarHBondContact O-N 3.08Å; G460-W487 VanDerWaalsContact CA-CH2 3.49Å
461K93.6Very high93Very high90 Ų9041.6 Ų41.639%0.39121%0.211SC..Hα-helixtrans-61.4-26.3177-76.7172.9170.9169.70113.5Q457 Q459 R465Q457-K461 VanDerWaalsContact CD-CE 3.44Å; Q457-K461 VanDerWaalsContact CD-NZ 3.26Å; Q457-K461 HydrophobicContact CG-CD 3.89Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.39Å; Q457-K461 WeakPolarHBondContact O-CG 3.41Å; Q457-K461 PolarHBondContact O-N 2.97Å; Q459-K461 PolarHBondContact O-N 3.12Å; K461-R465 WeakPolarHBondContact O-CD 3.41Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.11Å; K461-R465 PolarHBondContact O-N 2.84Å
462Q93.1Very high92.5Very high104 Ų10446.3 Ų46.349%0.48624%0.243SC..Hα-helixtrans-74.5-42.8173-173.1175.233.400111.5G458 Q459 G460 R465 W466G458-Q462 PolarHBondContact O-N 3.28Å; Q459-Q462 WeakPolarHBondContact O-CB 3.44Å; Q459-Q462 PolarHBondContact O-N 2.81Å; Q459-Q462 VanDerWaalsContact O-N 3.13Å; G460-Q462 PolarHBondContact O-N 2.84Å; Q462-R465 PolarHBondContact O-N 3.03Å; Q462-W466 HydrophobicContact CG-CD2 4.45Å; Q462-W466 HydrophobicContact CG-CH2 3.8Å; Q462-W466 HydrophobicContact CG-CZ2 3.62Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 PolarHBondContact O-N 3.3Å
463I95.3Very high91.8Very high3 Ų349.7 Ų49.72%0.01526%0.26CS..Hα-helixtrans-68.4-40.9177.9-65171.8000110.9T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507T423-I463 HydrophobicContact CG2-CD1 4.1Å; T423-I463 HydrophobicContact CG2-CG1 4.2Å; 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 4.05Å; C454-I463 HydrophobicContact CB-CD1 4.33Å; Q459-I463 WeakPolarHBondContact O-CG1 3.48Å; Q459-I463 PolarHBondContact O-N 3.05Å; G460-I463 PolarHBondContact O-N 2.75Å; G460-I463 VanDerWaalsContact O-N 3.09Å; I463-R465 VanDerWaalsContact C-N 3.34Å; I463-R465 PolarHBondContact O-N 3.19Å; I463-W466 HydrophobicContact CG1-CE3 4.1Å; I463-W466 HydrophobicContact CG1-CZ3 4.06Å; I463-W466 PolarHBondContact O-N 2.97Å; I463-W466 VanDerWaalsContact O-N 3.12Å; I463-M467 HydrophobicContact CG2-CE 3.66Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.11Å; I463-M467 WeakPolarHBondContact O-CG 3.38Å; I463-M467 PolarHBondContact O-N 3.16Å; I463-L507 HydrophobicContact CB-CD2 4.47Å; I463-L507 HydrophobicContact CG2-CD1 4.44Å; I463-L507 HydrophobicContact CG2-CD2 4.27Å
464E95.3Very high91.1Very high49 Ų4951.6 Ų51.623%0.22927%0.271CS..Hα-helixtrans-52.6-48.1172.9-178.8173.2-144.700111.6G460 W466 M467 S468 T485 L507G460-E464 WeakPolarHBondContact O-CB 3.33Å; G460-E464 PolarHBondContact O-N 3.08Å; E464-W466 PolarHBondContact O-N 2.97Å; E464-M467 PolarHBondContact O-N 3.48Å; E464-S468 PolarHBondContact O-N 3.23Å; E464-S468 PolarHBondContact O-OG 3.16Å; E464-S468 VanDerWaalsContact O-OG 3.13Å; E464-T485 HydrophobicContact CB-CG2 4.39Å; E464-T485 VanDerWaalsContact CD-CG2 3.49Å; E464-T485 HydrophobicContact CG-CG2 4.02Å; E464-T485 WeakPolarHBondContact OE1-CB 3.49Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.38Å; E464-T485 PolarHBondContact OE1-OG1 3Å; E464-L507 HydrophobicContact CB-CD2 3.89Å
465R93.6Very high90Very high184 Ų18453.4 Ų53.469%0.69429%0.289SS*.Hα-helixtrans-59.5-44.8175.5-71.1167.6-177.1-172.8-0.7112.3K461 Q462 I463 S468 T469K461-R465 WeakPolarHBondContact O-CD 3.41Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.11Å; K461-R465 PolarHBondContact O-N 2.84Å; Q462-R465 PolarHBondContact O-N 3.03Å; I463-R465 VanDerWaalsContact C-N 3.34Å; I463-R465 PolarHBondContact O-N 3.19Å; R465-S468 PolarHBondContact O-N 3.11Å; R465-T469 PolarHBondContact O-N 2.75Å; R465-T469 VanDerWaalsContact O-N 3.11Å; R465-T469 PolarHBondContact O-OG1 2.92Å
466W94.4Very high88.9Confident61 Ų6155.8 Ų55.823%0.23131%0.306CS..Hα-helixtrans-65.2-40.8177-62.8-30000112.3T423 W424 L427 Q462 I463 E464 T469 L470T423-W466 HydrophobicContact CG2-CZ3 4.39Å; W424-W466 HydrophobicContact CH2-CB 4.14Å; W424-W466 HydrophobicContact CH2-CG 4.29Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.77Å; W424-W466 AromaticContact CZ2-CD2 3.8Å; W424-W466 HydrophobicContact CZ2-CD2 3.8Å; W424-W466 HydrophobicContact CZ2-CE3 4.39Å; W424-W466 AromaticContact CZ2-CG 3.54Å; W424-W466 HydrophobicContact CZ2-CG 3.54Å; W424-W466 AromaticContact NE1-CD2 3.88Å; W424-W466 AromaticContact NE1-CE2 3.85Å; W424-W466 AromaticContact NE1-CE3 3.93Å; W424-W466 AromaticContact NE1-CZ2 3.93Å; L427-W466 HydrophobicContact CD2-CB 3.78Å; L427-W466 HydrophobicContact CD2-CE3 4.02Å; Q462-W466 HydrophobicContact CG-CD2 4.45Å; Q462-W466 HydrophobicContact CG-CH2 3.8Å; Q462-W466 HydrophobicContact CG-CZ2 3.62Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 PolarHBondContact O-N 3.3Å; I463-W466 HydrophobicContact CG1-CE3 4.1Å; I463-W466 HydrophobicContact CG1-CZ3 4.06Å; I463-W466 PolarHBondContact O-N 2.97Å; I463-W466 VanDerWaalsContact O-N 3.12Å; E464-W466 PolarHBondContact O-N 2.97Å; W466-T469 PolarHBondContact O-N 3.27Å; W466-L470 VanDerWaalsContact O-CG 3.26Å; W466-L470 WeakPolarHBondContact O-CG 3.38Å; W466-L470 PolarHBondContact O-N 3.31Å
467M95.2Very high87.6Confident0 Ų057.1 Ų57.10%033%0.326CS..Hα-helixtrans-59.1-51.3174-72.5176.7170.700110.7L427 F452 I463 E464 T469 L470 L471 V483 I505 L507L427-M467 HydrophobicContact CD1-CE 3.65Å; L427-M467 HydrophobicContact CD1-CG 3.81Å; F452-M467 HydrophobicContact CB-CE 4.09Å; F452-M467 HydrophobicContact CD1-CE 4.42Å; F452-M467 HydrophobicContact CD2-CE 3.25Å; F452-M467 HydrophobicContact CE2-CE 3.7Å; F452-M467 HydrophobicContact CG-CE 3.67Å; F452-M467 HydrophobicContact CZ-CE 4.46Å; I463-M467 HydrophobicContact CG2-CE 3.66Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.11Å; I463-M467 WeakPolarHBondContact O-CG 3.38Å; I463-M467 PolarHBondContact O-N 3.16Å; E464-M467 PolarHBondContact O-N 3.48Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 2.79Å; M467-L470 WeakPolarHBondContact O-CB 3.4Å; M467-L470 PolarHBondContact O-N 2.89Å; M467-L471 HydrophobicContact CB-CD1 4.08Å; M467-L471 WeakPolarHBondContact O-CB 3.41Å; M467-L471 WeakPolarHBondContact O-CD1 3.39Å; M467-L471 VanDerWaalsContact O-CG 3.26Å; M467-L471 WeakPolarHBondContact O-CG 3.32Å; M467-L471 PolarHBondContact O-N 3.02Å; M467-V483 HydrophobicContact CB-CG2 4.14Å; M467-V483 HydrophobicContact SD-CG1 4.41Å; M467-I505 HydrophobicContact CE-CD1 3.97Å; M467-I505 HydrophobicContact CE-CG2 3.9Å; M467-I505 HydrophobicContact CG-CD1 4.27Å; M467-I505 HydrophobicContact SD-CD1 3.87Å; M467-I505 HydrophobicContact SD-CG2 4.09Å; M467-L507 HydrophobicContact SD-CD2 3.95Å
468S91.9Very high86.4Confident61 Ų6154.7 Ų54.743%0.42732%0.318SS..Hα-helixtrans-58.8-39.1179.6-61.80000112.8E464 R465 C472E464-S468 PolarHBondContact O-N 3.23Å; E464-S468 PolarHBondContact O-OG 3.16Å; E464-S468 VanDerWaalsContact O-OG 3.13Å; R465-S468 PolarHBondContact O-N 3.11Å; S468-C472 WeakPolarHBondContact O-CB 3.27Å; S468-C472 PolarHBondContact O-N 3.19Å
469T90.9Very high85.6Confident57 Ų5755.7 Ų55.735%0.3533%0.329SS..Hα-helixtrans-69.3-35.3174.7-51.60000113M388 R465 W466 M467M388-T469 HydrophobicContact CE-CG2 3.8Å; M388-T469 HydrophobicContact CG-CG2 3.88Å; M388-T469 HydrophobicContact SD-CG2 3.71Å; R465-T469 PolarHBondContact O-N 2.75Å; R465-T469 VanDerWaalsContact O-N 3.11Å; R465-T469 PolarHBondContact O-OG1 2.92Å; W466-T469 PolarHBondContact O-N 3.27Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 2.79Å
470L93Very high85.5Confident0 Ų055.3 Ų55.30%033%0.327CS..Hα-helixtrans-69-40.8175.4-70.6167.3000112.2I381 A384 M385 M388 W424 L427 C431 W466 M467I381-L470 HydrophobicContact CD1-CB 3.93Å; I381-L470 HydrophobicContact CD1-CD2 3.95Å; I381-L470 WeakPolarHBondContact CD1-O 3.34Å; I381-L470 HydrophobicContact CG2-CD2 4.22Å; A384-L470 HydrophobicContact CB-CD2 4.03Å; M385-L470 HydrophobicContact CG-CD2 3.99Å; M388-L470 HydrophobicContact CE-CD2 3.73Å; M388-L470 HydrophobicContact CE-CG 3.91Å; W424-L470 HydrophobicContact CH2-CD1 4.18Å; W424-L470 HydrophobicContact CH2-CG 4.47Å; W424-L470 HydrophobicContact CZ3-CD1 4.02Å; W424-L470 HydrophobicContact CZ3-CD2 4.24Å; L427-L470 HydrophobicContact CD2-CD1 4.19Å; L427-L470 HydrophobicContact CG-CD1 3.89Å; C431-L470 HydrophobicContact CB-CB 3.89Å; C431-L470 HydrophobicContact CB-CD1 4.1Å; C431-L470 VanDerWaalsContact SG-CD1 3.52Å; W466-L470 VanDerWaalsContact O-CG 3.26Å; W466-L470 WeakPolarHBondContact O-CG 3.38Å; W466-L470 PolarHBondContact O-N 3.31Å; M467-L470 WeakPolarHBondContact O-CB 3.4Å; M467-L470 PolarHBondContact O-N 2.89Å
471L91.4Very high85.3Confident8 Ų858.9 Ų58.94%0.04234%0.343CS..Hα-helixtrans-82.8-39.9-172.8-66.9160.5000112.2C431 H435 M467 L473 L474 G475 D482 V483 I505C431-L471 HydrophobicContact CB-CD2 3.93Å; C431-L471 HydrophobicContact CB-CG 4.08Å; C431-L471 WeakPolarHBondContact O-CD2 3.49Å; H435-L471 HydrophobicContact CB-CD2 3.84Å; M467-L471 HydrophobicContact CB-CD1 4.08Å; M467-L471 WeakPolarHBondContact O-CB 3.41Å; M467-L471 WeakPolarHBondContact O-CD1 3.39Å; M467-L471 VanDerWaalsContact O-CG 3.26Å; M467-L471 WeakPolarHBondContact O-CG 3.32Å; M467-L471 PolarHBondContact O-N 3.02Å; L471-L473 PolarHBondContact O-N 2.88Å; L471-L473 VanDerWaalsContact O-N 3.11Å; L471-L474 HydrophobicContact CD2-CD1 4.39Å; L471-L474 WeakPolarHBondContact O-CB 3.12Å; L471-L474 PolarHBondContact O-N 3.43Å; L471-G475 PolarHBondContact O-N 2.9Å; L471-D482 HydrophobicContact CD1-CB 4.23Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; L471-I505 HydrophobicContact CD1-CD1 4.23Å
472C86.8Confident85.2Confident102 Ų10255.9 Ų55.969%0.68933%0.332SS*.Hα-helixtrans-52.7-37.2178.3178.50000113S468 G475S468-C472 WeakPolarHBondContact O-CB 3.27Å; S468-C472 PolarHBondContact O-N 3.19Å; C472-G475 PolarHBondContact O-N 2.8Å
473L81.8Confident85.3Confident70 Ų7052.2 Ų52.237%0.36632%0.316SS..THydrogen-bonded Turntrans-78.4-15.2-179.9-73167.3000114.5I380 A384 L471 G475I380-L473 VanDerWaalsContact CG2-C 3.47Å; I380-L473 HydrophobicContact CG2-CB 3.89Å; I380-L473 WeakPolarHBondContact CG2-O 3.28Å; A384-L473 HydrophobicContact CB-CD1 3.54Å; L471-L473 PolarHBondContact O-N 2.88Å; L471-L473 VanDerWaalsContact O-N 3.11Å; L473-G475 VanDerWaalsContact C-N 3.32Å
474L83.5Confident85.3Confident41 Ų4152 Ų5222%0.21532%0.315CS..THydrogen-bonded Turntrans-78.2-19.9168.7-67.1169.7000111.9I380 I381 H435 L471I380-L474 HydrophobicContact CB-CD2 4.12Å; I380-L474 HydrophobicContact CD1-CD2 4.28Å; I380-L474 HydrophobicContact CG2-CD2 3.8Å; I380-L474 HydrophobicContact CG2-CG 4.23Å; I381-L474 HydrophobicContact CD1-CD1 4.11Å; I381-L474 HydrophobicContact CD1-CG 4.38Å; I381-L474 HydrophobicContact CG1-CD1 4.44Å; I381-L474 HydrophobicContact CG1-CD2 4.29Å; H435-L474 HydrophobicContact CB-CD1 3.88Å; L471-L474 HydrophobicContact CD2-CD1 4.39Å; L471-L474 WeakPolarHBondContact O-CB 3.12Å; L471-L474 PolarHBondContact O-N 3.43Å
475G72.3Confident85.3Confident37 Ų3750.9 Ų50.938%0.38131%0.311SS..  trans77.1-176.2-168.500000112H435 L471 C472 L473H435-G475 PolarHBondContact CE1-O 3.35Å; L471-G475 PolarHBondContact O-N 2.9Å; C472-G475 PolarHBondContact O-N 2.8Å; L473-G475 VanDerWaalsContact C-N 3.32Å
476S65.6Low85.3Confident61 Ų6142.1 Ų42.143%0.42728%0.278SS..  trans-146.4106.5172.6-161.20000109.4D482S476-D482 WeakPolarHBondContact CB-OD2 3.33Å; S476-D482 PolarHBondContact OG-OD2 3.24Å
477A61.4Low85.2Confident97 Ų9741 Ų4180%0.80227%0.274SS*.SBendtrans-95.5-23.1-176.900000112.7
478S64.4Low84.9Confident31 Ų3144 Ų4422%0.21729%0.29CS..SBendtrans-82.8-9.3-176.862.70000115.3Q439 F480Q439-S478 PolarHBondContact NE2-OG 3.02Å; Q439-S478 VanDerWaalsContact OE1-CB 3.31Å; Q439-S478 PolarHBondContact OE1-OG 3.48Å; S478-F480 PolarHBondContact O-N 2.97Å; S478-F480 VanDerWaalsContact O-N 3.14Å
479G73Confident84.5Confident73 Ų7346.2 Ų46.275%0.75329%0.292SS*.  trans63.316.6-177.200000114.9
480F85Confident84.2Confident33 Ų3348.8 Ų48.815%0.14531%0.308CS..SBendtrans-97.2161.1176.7-62.6-45.3000111.4L438 D443 S478 D482 P502L438-F480 HydrophobicContact CD1-CB 3.87Å; L438-F480 HydrophobicContact CD1-CD2 3.82Å; L438-F480 HydrophobicContact CD1-CG 4.2Å; L438-F480 HydrophobicContact CD2-CB 4.01Å; L438-F480 HydrophobicContact CG-CB 4.15Å; L438-F480 HydrophobicContact CG-CD2 4.26Å; D443-F480 HydrophobicContact CB-CZ 4.38Å; S478-F480 PolarHBondContact O-N 2.97Å; S478-F480 VanDerWaalsContact O-N 3.14Å; F480-D482 PolarHBondContact O-N 2.84Å; F480-P502 HydrophobicContact CD1-CB 4.38Å; F480-P502 HydrophobicContact CD1-CG 4.42Å; F480-P502 HydrophobicContact CD2-CB 3.87Å; F480-P502 HydrophobicContact CD2-CG 4.26Å; F480-P502 HydrophobicContact CE1-CG 4.08Å; F480-P502 HydrophobicContact CE2-CB 4.01Å; F480-P502 HydrophobicContact CE2-CG 3.9Å; F480-P502 HydrophobicContact CG-CB 4.11Å; F480-P502 HydrophobicContact CZ-CB 4.35Å; F480-P502 HydrophobicContact CZ-CG 3.83Å
481E90.3Very high83.9Confident75 Ų7553.1 Ų53.135%0.3533%0.328SS..EExtended strand (participates in β ladder)trans-76110.7177.8-59.2-169.8-107.600110.6V483 V484 R498 V503 G504E481-V483 VanDerWaalsContact C-N 3.27Å; E481-V483 PolarHBondContact O-N 3.29Å; E481-V484 HydrophobicContact CB-CG2 3.92Å; E481-R498 WeakPolarHBondContact OE1-CB 3.38Å; E481-R498 WeakPolarHBondContact OE1-CG 3.31Å; E481-R498 IonicContact OE1-CZ 3.37Å; E481-R498 IonicContact OE1-NE 3.2Å; E481-R498 PolarHBondContact OE1-NE 3.38Å; E481-R498 IonicContact OE2-CZ 2.7Å; E481-R498 VanDerWaalsContact OE2-CZ 3.22Å; E481-R498 IonicContact OE2-NE 2.8Å; E481-R498 PolarHBondContact OE2-NE 3.03Å; E481-R498 IonicContact OE2-NH2 3.66Å; E481-R498 PolarHBondContact OE2-NH2 3.2Å; E481-V503 WeakPolarHBondContact O-CA 3.45Å; E481-G504 PolarHBondContact O-N 3.26Å
482D91Very high83.7Confident27 Ų2753.6 Ų53.614%0.14433%0.331CS..EExtended strand (participates in β ladder)trans-63.4-30.8176.1-73.6-82.9000112.8H435 L471 S476 F480 G504 I505H435-D482 IonicContact CE1-OD1 2.79Å; H435-D482 IonicContact CG-OD1 2.66Å; H435-D482 IonicContact ND1-OD1 2.76Å; H435-D482 PolarHBondContact ND1-OD1 3.31Å; L471-D482 HydrophobicContact CD1-CB 4.23Å; S476-D482 WeakPolarHBondContact CB-OD2 3.33Å; S476-D482 PolarHBondContact OG-OD2 3.24Å; F480-D482 PolarHBondContact O-N 2.84Å; D482-G504 CarbonylContact O-C 3.56Å; D482-G504 WeakPolarHBondContact O-CA 3.18Å; D482-I505 PolarHBondContact O-N 3.47Å
483V94.6Very high83.8Confident26 Ų2653.7 Ų53.716%0.15833%0.328CS..EExtended strand (participates in β ladder)trans-139.6130.7174.3-1710000111M467 L471 E481 T485 I505 L507M467-V483 HydrophobicContact CB-CG2 4.14Å; M467-V483 HydrophobicContact SD-CG1 4.41Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; E481-V483 VanDerWaalsContact C-N 3.27Å; E481-V483 PolarHBondContact O-N 3.29Å; V483-T485 HydrophobicContact CG1-CG2 4.42Å; V483-I505 CarbonylContact C-O 3.53Å; V483-I505 WeakPolarHBondContact CA-O 3.42Å; V483-I505 HydrophobicContact CG2-CB 4.48Å; V483-L507 HydrophobicContact CG1-CB 4.49Å
484V95.1Very high84.3Confident0 Ų052.9 Ų52.90%032%0.324CS..EExtended strand (participates in β ladder)trans-116.7117.3167.2172.30000108.5E481 I495 V503 I505 L506 L507E481-V484 HydrophobicContact CB-CG2 3.92Å; V484-I495 HydrophobicContact CG1-CD1 3.91Å; V484-I495 HydrophobicContact CG1-CG2 4.3Å; V484-V503 HydrophobicContact CB-CG1 4.03Å; V484-V503 HydrophobicContact CG2-CB 4.45Å; V484-V503 HydrophobicContact CG2-CG1 3.61Å; V484-V503 HydrophobicContact CG2-CG2 3.91Å; V484-I505 PolarHBondContact N-O 3.28Å; V484-L506 HydrophobicContact CG1-CD1 4.34Å; V484-L506 WeakPolarHBondContact O-CA 3.42Å; V484-L507 PolarHBondContact O-N 3.32Å
485T95.8Very high84.7Confident24 Ų2451 Ų5115%0.14731%0.314CS..EExtended strand (participates in β ladder)trans-95.3140.1173.335.50000112.5E464 V483 W487 I495 L507E464-T485 HydrophobicContact CB-CG2 4.39Å; E464-T485 VanDerWaalsContact CD-CG2 3.49Å; E464-T485 HydrophobicContact CG-CG2 4.02Å; E464-T485 WeakPolarHBondContact OE1-CB 3.49Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.38Å; E464-T485 PolarHBondContact OE1-OG1 3Å; V483-T485 HydrophobicContact CG1-CG2 4.42Å; T485-W487 HydrophobicContact CG2-CZ2 4.07Å; T485-I495 WeakPolarHBondContact O-CD1 3.38Å; T485-L507 WeakPolarHBondContact CA-O 3.5Å; T485-L507 HydrophobicContact CG2-CB 3.87Å; T485-L507 HydrophobicContact CG2-CD2 3.79Å; T485-L507 HydrophobicContact CG2-CG 3.93Å
486H94.6Very high85.6Confident0 Ų049.8 Ų49.80%030%0.299CS..EExtended strand (participates in β ladder)trans-131.5110.9175.4179.638.6000110D488 I495 L506 L507 T508 L512H486-D488 PolarHBondContact CE1-O 2.64Å; H486-D488 PolarHBondContact ND1-O 3.48Å; H486-I495 HydrophobicContact CB-CD1 4.29Å; H486-I495 HydrophobicContact CB-CG1 3.98Å; H486-I495 HydrophobicContact CB-CG2 4.11Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; H486-L507 PolarHBondContact N-O 2.92Å; H486-T508 WeakPolarHBondContact O-CB 3.14Å; H486-T508 PolarHBondContact O-OG1 2.87Å; H486-L512 WeakPolarHBondContact O-CD1 3.22Å
487W92.1Very high86.8Confident38 Ų3853.5 Ų53.514%0.14430%0.304CS..  trans-129.7-6.7-176-56.7123.5000115.2C454 Q457 G460 T485 L507 T508 L512C454-W487 WeakPolarHBondContact SG-CH2 3.46Å; Q457-W487 HydrophobicContact CB-CB 4.4Å; Q457-W487 HydrophobicContact CB-CD2 4.08Å; Q457-W487 HydrophobicContact CB-CE3 4.07Å; Q457-W487 HydrophobicContact CB-CG 4.24Å; Q457-W487 HydrophobicContact CG-CB 3.92Å; Q457-W487 HydrophobicContact CG-CD2 3.87Å; Q457-W487 HydrophobicContact CG-CE3 4.38Å; Q457-W487 HydrophobicContact CG-CG 3.64Å; G460-W487 VanDerWaalsContact CA-CH2 3.49Å; T485-W487 HydrophobicContact CG2-CZ2 4.07Å; W487-L507 HydrophobicContact CH2-CD1 4.14Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.35Å; W487-L507 HydrophobicContact CZ2-CD2 4.15Å; W487-L507 HydrophobicContact CZ2-CG 3.73Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; W487-L512 VanDerWaalsContact C-CD1 3.46Å; W487-L512 VanDerWaalsContact CA-CD1 3.4Å
488D87.5Confident88.3Confident62 Ų6251.9 Ų51.933%0.33228%0.277SS..  trans-131.6133.2-177.9179.29.4000110.6H486 T490 Q491H486-D488 PolarHBondContact CE1-O 2.64Å; H486-D488 PolarHBondContact ND1-O 3.48Å; D488-T490 VanDerWaalsContact C-N 3.28Å; D488-T490 VanDerWaalsContact CG-OG1 3.29Å; D488-T490 PolarHBondContact O-N 3.42Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.36Å; D488-T490 PolarHBondContact OD1-N 2.76Å; D488-T490 PolarHBondContact OD2-OG1 2.96Å; D488-Q491 HydrophobicContact CB-CG 4.08Å; D488-Q491 PolarHBondContact O-N 3.41Å
489K83.4Confident89.6Confident108 Ų10850.4 Ų50.447%0.4727%0.267SS..G310 helixtrans-68-24.9179.7-62.6-172.2172.9171.10112.6Q491 D511 L512 Q515K489-Q491 VanDerWaalsContact C-N 3.27Å; K489-Q491 PolarHBondContact O-N 2.94Å; K489-D511 WeakPolarHBondContact CE-OD2 3.4Å; K489-D511 IonicContact NZ-OD2 2.68Å; K489-D511 PolarHBondContact NZ-OD2 2.83Å; K489-L512 HydrophobicContact CD-CD2 4.23Å; K489-L512 HydrophobicContact CG-CD2 3.41Å; K489-L512 VanDerWaalsContact CG-CD2 3.41Å; K489-Q515 VanDerWaalsContact CG-OE1 3.29Å
490T85.3Confident90.4Very high112 Ų11252.9 Ų52.969%0.68726%0.257SS*.G310 helixtrans-66.8-31.4174.376.90000112D488 L492D488-T490 VanDerWaalsContact C-N 3.28Å; D488-T490 VanDerWaalsContact CG-OG1 3.29Å; D488-T490 PolarHBondContact O-N 3.42Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.36Å; D488-T490 PolarHBondContact OD1-N 2.76Å; D488-T490 PolarHBondContact OD2-OG1 2.96Å; T490-L492 VanDerWaalsContact C-N 3.26Å; T490-L492 PolarHBondContact O-N 3.23Å
491Q87.3Confident90.7Very high90 Ų9057.8 Ų57.842%0.42128%0.278SS..G310 helixtrans-82.24.6-173.7-60.8179.3-800113.9D488 K489 V493 D494 I495D488-Q491 HydrophobicContact CB-CG 4.08Å; D488-Q491 PolarHBondContact O-N 3.41Å; K489-Q491 VanDerWaalsContact C-N 3.27Å; K489-Q491 PolarHBondContact O-N 2.94Å; Q491-V493 VanDerWaalsContact C-N 3.28Å; Q491-V493 PolarHBondContact O-N 3.37Å; Q491-D494 WeakPolarHBondContact O-CA 3.49Å; Q491-D494 WeakPolarHBondContact O-CB 3.48Å; Q491-D494 PolarHBondContact O-N 3.02Å; Q491-I495 PolarHBondContact O-N 2.86Å; Q491-I495 VanDerWaalsContact O-N 3.07Å
492L87.4Confident90.8Very high19 Ų1954.3 Ų54.310%0.09926%0.262CS..Hα-helixtrans-50.2-46-175.1-173.474000112.9T490 D494 I495 V496 Q515 L516 H519T490-L492 VanDerWaalsContact C-N 3.26Å; T490-L492 PolarHBondContact O-N 3.23Å; L492-D494 VanDerWaalsContact C-N 3.28Å; L492-D494 PolarHBondContact O-N 3.38Å; L492-I495 PolarHBondContact O-N 3.16Å; L492-V496 HydrophobicContact CG-CG2 4.41Å; L492-V496 WeakPolarHBondContact O-CB 3.5Å; L492-V496 WeakPolarHBondContact O-CG2 3.2Å; L492-V496 PolarHBondContact O-N 3.12Å; L492-Q515 HydrophobicContact CD1-CG 3.94Å; L492-Q515 HydrophobicContact CD2-CG 4.27Å; L492-L516 HydrophobicContact CD1-CD2 3.68Å; L492-L516 HydrophobicContact CD1-CG 4.11Å; L492-H519 HydrophobicContact CD2-CB 4.13Å
493V88.4Confident90.9Very high103 Ų10353 Ų5362%0.62426%0.255SS*.Hα-helixtrans-65.6-32.1-178.9-177.90000111.8Q491 R497Q491-V493 VanDerWaalsContact C-N 3.28Å; Q491-V493 PolarHBondContact O-N 3.37Å; V493-R497 WeakPolarHBondContact O-CB 3.47Å; V493-R497 PolarHBondContact O-N 2.89Å; V493-R497 VanDerWaalsContact O-N 3.14Å
494D91.4Very high90.9Very high54 Ų5451.9 Ų51.929%0.28925%0.248SC..Hα-helixtrans-71.5-49.8177.5-169.779.7000111.7Q491 L492 V496 R497 R498Q491-D494 WeakPolarHBondContact O-CA 3.49Å; Q491-D494 WeakPolarHBondContact O-CB 3.48Å; Q491-D494 PolarHBondContact O-N 3.02Å; L492-D494 VanDerWaalsContact C-N 3.28Å; L492-D494 PolarHBondContact O-N 3.38Å; D494-V496 VanDerWaalsContact C-N 3.35Å; D494-V496 PolarHBondContact O-N 3.38Å; D494-R497 WeakPolarHBondContact O-CA 3.41Å; D494-R497 VanDerWaalsContact O-CB 3.25Å; D494-R497 WeakPolarHBondContact O-CB 3.07Å; D494-R497 PolarHBondContact O-N 3.4Å; D494-R497 IonicContact OD1-CZ 3.52Å; D494-R497 IonicContact OD1-NH1 3.45Å; D494-R497 PolarHBondContact OD1-NH1 3.38Å; D494-R497 IonicContact OD1-NH2 3.29Å; D494-R497 PolarHBondContact OD1-NH2 3.05Å; D494-R498 PolarHBondContact O-N 3.5Å; D494-R498 WeakPolarHBondContact OD2-CD 3.46Å; D494-R498 IonicContact OD2-NH1 2.68Å
495I93.1Very high91Very high0 Ų051.9 Ų51.90%025%0.248CC..Hα-helixtrans-61.8-43.5177.7-58.5-56.3000110.7V484 T485 H486 Q491 L492 R497 R498 L499 L516V484-I495 HydrophobicContact CG1-CD1 3.91Å; V484-I495 HydrophobicContact CG1-CG2 4.3Å; T485-I495 WeakPolarHBondContact O-CD1 3.38Å; H486-I495 HydrophobicContact CB-CD1 4.29Å; H486-I495 HydrophobicContact CB-CG1 3.98Å; H486-I495 HydrophobicContact CB-CG2 4.11Å; Q491-I495 PolarHBondContact O-N 2.86Å; Q491-I495 VanDerWaalsContact O-N 3.07Å; L492-I495 PolarHBondContact O-N 3.16Å; I495-R497 PolarHBondContact O-N 2.94Å; I495-R498 PolarHBondContact O-N 2.93Å; I495-L499 HydrophobicContact CG2-CD1 3.81Å; I495-L499 HydrophobicContact CG2-CG 4.19Å; I495-L499 WeakPolarHBondContact O-CB 3.44Å; I495-L499 VanDerWaalsContact O-CG 3.27Å; I495-L499 WeakPolarHBondContact O-CG 3.47Å; I495-L499 PolarHBondContact O-N 3.42Å; I495-L516 HydrophobicContact CG2-CD1 4.2Å; I495-L516 HydrophobicContact CG2-CD2 4.05Å
496V91.4Very high91.1Very high13 Ų1350.7 Ų50.78%0.07924%0.241CC..Hα-helixtrans-61.5-29173.6169.70000112.1L492 D494 K500 L516 I523L492-V496 HydrophobicContact CG-CG2 4.41Å; L492-V496 WeakPolarHBondContact O-CB 3.5Å; L492-V496 WeakPolarHBondContact O-CG2 3.2Å; L492-V496 PolarHBondContact O-N 3.12Å; D494-V496 VanDerWaalsContact C-N 3.35Å; D494-V496 PolarHBondContact O-N 3.38Å; V496-K500 WeakPolarHBondContact O-CG 3.43Å; V496-L516 HydrophobicContact CG2-CD2 3.63Å; V496-I523 HydrophobicContact CG1-CG1 4.41Å; V496-I523 HydrophobicContact CG2-CD1 4.02Å; V496-I523 HydrophobicContact CG2-CG1 4.43Å
497R90.2Very high91.2Very high139 Ų13950.7 Ų50.753%0.52524%0.241SC..Hα-helixtrans-73.5-43.1174.2-156.1-162.1-39.397.1-0.3111.7V493 D494 I495 K500V493-R497 WeakPolarHBondContact O-CB 3.47Å; V493-R497 PolarHBondContact O-N 2.89Å; V493-R497 VanDerWaalsContact O-N 3.14Å; D494-R497 WeakPolarHBondContact O-CA 3.41Å; D494-R497 VanDerWaalsContact O-CB 3.25Å; D494-R497 WeakPolarHBondContact O-CB 3.07Å; D494-R497 PolarHBondContact O-N 3.4Å; D494-R497 IonicContact OD1-CZ 3.52Å; D494-R497 IonicContact OD1-NH1 3.45Å; D494-R497 PolarHBondContact OD1-NH1 3.38Å; D494-R497 IonicContact OD1-NH2 3.29Å; D494-R497 PolarHBondContact OD1-NH2 3.05Å; I495-R497 PolarHBondContact O-N 2.94Å; R497-K500 WeakPolarHBondContact O-CB 3.22Å; R497-K500 PolarHBondContact O-N 2.75Å
498R92.3Very high91.5Very high63 Ų6348.9 Ų48.924%0.23823%0.234CC..Hα-helixtrans-65.3-44.6178.8-70.4164.369.8-169.91.8111.2E481 D494 I495 K500 K501E481-R498 WeakPolarHBondContact OE1-CB 3.38Å; E481-R498 WeakPolarHBondContact OE1-CG 3.31Å; E481-R498 IonicContact OE1-CZ 3.37Å; E481-R498 IonicContact OE1-NE 3.2Å; E481-R498 PolarHBondContact OE1-NE 3.38Å; E481-R498 IonicContact OE2-CZ 2.7Å; E481-R498 VanDerWaalsContact OE2-CZ 3.22Å; E481-R498 IonicContact OE2-NE 2.8Å; E481-R498 PolarHBondContact OE2-NE 3.03Å; E481-R498 IonicContact OE2-NH2 3.66Å; E481-R498 PolarHBondContact OE2-NH2 3.2Å; D494-R498 PolarHBondContact O-N 3.5Å; D494-R498 WeakPolarHBondContact OD2-CD 3.46Å; D494-R498 IonicContact OD2-NH1 2.68Å; I495-R498 PolarHBondContact O-N 2.93Å; R498-K500 PolarHBondContact O-N 2.74Å; R498-K500 VanDerWaalsContact O-N 3.07Å; R498-K501 PolarHBondContact O-N 3.23Å; R498-K501 VanDerWaalsContact O-N 3.14Å
499L92.8Very high91.8Very high0 Ų046.5 Ų46.50%022%0.222CC..THydrogen-bonded Turntrans-66.6-6.1176.9-62.9177000114.8G447 I495 K501 V503 L506 L516 I523G447-L499 VanDerWaalsContact CA-O 3.28Å; G447-L499 WeakPolarHBondContact CA-O 3.43Å; G447-L499 PolarHBondContact N-O 3.26Å; I495-L499 HydrophobicContact CG2-CD1 3.81Å; I495-L499 HydrophobicContact CG2-CG 4.19Å; I495-L499 WeakPolarHBondContact O-CB 3.44Å; I495-L499 VanDerWaalsContact O-CG 3.27Å; I495-L499 WeakPolarHBondContact O-CG 3.47Å; I495-L499 PolarHBondContact O-N 3.42Å; L499-K501 PolarHBondContact O-N 3.29Å; L499-V503 HydrophobicContact CD2-CB 4.44Å; L499-V503 HydrophobicContact CD2-CG1 4.5Å; L499-V503 HydrophobicContact CD2-CG2 4.23Å; L499-L506 HydrophobicContact CD1-CD1 4.45Å; L499-L506 HydrophobicContact CD1-CD2 4.1Å; L499-L506 HydrophobicContact CD2-CD1 4.48Å; L499-L516 HydrophobicContact CD1-CD1 4.27Å; L499-L516 HydrophobicContact CD1-CD2 4.42Å; L499-I523 HydrophobicContact CB-CG2 3.69Å; L499-I523 HydrophobicContact CD1-CG2 3.87Å; L499-I523 HydrophobicContact CG-CG2 4.45Å
500K89.8Confident92.3Very high125 Ų12541.4 Ų41.454%0.54320%0.2SC..THydrogen-bonded Turntrans-73.1-11169.6-74.8173.5-176.4-176.80113.9V496 R497 R498V496-K500 WeakPolarHBondContact O-CG 3.43Å; R497-K500 WeakPolarHBondContact O-CB 3.22Å; R497-K500 PolarHBondContact O-N 2.75Å; R498-K500 PolarHBondContact O-N 2.74Å; R498-K500 VanDerWaalsContact O-N 3.07Å
501K90.4Very high92.6Very high136 Ų13637.6 Ų37.659%0.59118%0.176SC*.SBendtrans-105.9168.3171.1-69-171.5176-171.30110.5G445 G447 R498 L499G445-K501 CarbonylContact O-C 3.54Å; G447-K501 WeakPolarHBondContact CA-O 3.5Å; G447-K501 PolarHBondContact N-O 2.88Å; R498-K501 PolarHBondContact O-N 3.23Å; R498-K501 VanDerWaalsContact O-N 3.14Å; L499-K501 PolarHBondContact O-N 3.29Å
502P92.8Very high92.8Very high1 Ų133.6 Ų33.61%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-59.2139.3166-20.433.9000111L438 R441 P442 G445 F480L438-P502 HydrophobicContact CD1-CB 3.83Å; R441-P502 HydrophobicContact CB-CB 3.9Å; R441-P502 HydrophobicContact CB-CG 4.18Å; R441-P502 HydrophobicContact CG-CB 4.08Å; P442-P502 WeakPolarHBondContact O-CG 3.3Å; G445-P502 WeakPolarHBondContact O-CD 3.49Å; G445-P502 WeakPolarHBondContact O-CG 3.35Å; F480-P502 HydrophobicContact CD1-CB 4.38Å; F480-P502 HydrophobicContact CD1-CG 4.42Å; F480-P502 HydrophobicContact CD2-CB 3.87Å; F480-P502 HydrophobicContact CD2-CG 4.26Å; F480-P502 HydrophobicContact CE1-CG 4.08Å; F480-P502 HydrophobicContact CE2-CB 4.01Å; F480-P502 HydrophobicContact CE2-CG 3.9Å; F480-P502 HydrophobicContact CG-CB 4.11Å; F480-P502 HydrophobicContact CZ-CB 4.35Å; F480-P502 HydrophobicContact CZ-CG 3.83Å
503V93.9Very high93.1Very high1 Ų132.9 Ų32.91%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-137.1148.6178167.60000108.2G447 P448 T449 E481 V484 L499G447-V503 PolarHBondContact O-N 2.81Å; P448-V503 CarbonylContact C-O 3.54Å; P448-V503 VanDerWaalsContact CA-O 3.27Å; P448-V503 WeakPolarHBondContact CA-O 3.4Å; T449-V503 PolarHBondContact N-O 3.01Å; E481-V503 WeakPolarHBondContact O-CA 3.45Å; V484-V503 HydrophobicContact CB-CG1 4.03Å; V484-V503 HydrophobicContact CG2-CB 4.45Å; V484-V503 HydrophobicContact CG2-CG1 3.61Å; V484-V503 HydrophobicContact CG2-CG2 3.91Å; L499-V503 HydrophobicContact CD2-CB 4.44Å; L499-V503 HydrophobicContact CD2-CG1 4.5Å; L499-V503 HydrophobicContact CD2-CG2 4.23Å
504G94.1Very high93.3Very high1 Ų128.4 Ų28.41%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-70.2-85.7171.800000110.9S434 T449 C450 E481 D482S434-G504 PolarHBondContact OG-O 2.98Å; S434-G504 VanDerWaalsContact OG-O 3.05Å; T449-G504 PolarHBondContact N-O 2.92Å; C450-G504 PolarHBondContact N-O 3.19Å; E481-G504 PolarHBondContact O-N 3.26Å; D482-G504 CarbonylContact O-C 3.56Å; D482-G504 WeakPolarHBondContact O-CA 3.18Å
505I97.1Very high93.2Very high0 Ų028.5 Ų28.50%013%0.125CC..EExtended strand (participates in β ladder)trans-110.4126.5-174-49178.6000110.6V430 S434 C450 F452 M467 L471 D482 V483 V484V430-I505 HydrophobicContact CG1-CD1 4.2Å; S434-I505 WeakPolarHBondContact OG-CG1 3.47Å; C450-I505 HydrophobicContact CB-CG1 4.22Å; C450-I505 HydrophobicContact CB-CG2 4.32Å; C450-I505 CarbonylContact O-C 3.59Å; C450-I505 WeakPolarHBondContact O-CA 3.41Å; F452-I505 HydrophobicContact CB-CG2 3.98Å; M467-I505 HydrophobicContact CE-CD1 3.97Å; M467-I505 HydrophobicContact CE-CG2 3.9Å; M467-I505 HydrophobicContact CG-CD1 4.27Å; M467-I505 HydrophobicContact SD-CD1 3.87Å; M467-I505 HydrophobicContact SD-CG2 4.09Å; L471-I505 HydrophobicContact CD1-CD1 4.23Å; D482-I505 PolarHBondContact O-N 3.47Å; V483-I505 CarbonylContact C-O 3.53Å; V483-I505 WeakPolarHBondContact CA-O 3.42Å; V483-I505 HydrophobicContact CG2-CB 4.48Å; V484-I505 PolarHBondContact N-O 3.28Å
506L97.3Very high93.1Very high0 Ų028.5 Ų28.50%013%0.125CC..EExtended strand (participates in β ladder)trans-91.3114.3161.917261.1000108.8P448 C450 F452 V484 H486 L499 T508 L513 L516P448-L506 HydrophobicContact CB-CB 3.78Å; P448-L506 HydrophobicContact CG-CB 3.92Å; P448-L506 HydrophobicContact CG-CD2 4.41Å; C450-L506 PolarHBondContact O-N 3.49Å; F452-L506 PolarHBondContact N-O 3.31Å; V484-L506 HydrophobicContact CG1-CD1 4.34Å; V484-L506 WeakPolarHBondContact O-CA 3.42Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; L499-L506 HydrophobicContact CD1-CD1 4.45Å; L499-L506 HydrophobicContact CD1-CD2 4.1Å; L499-L506 HydrophobicContact CD2-CD1 4.48Å; L506-T508 HydrophobicContact CG-CG2 4.41Å; L506-L513 HydrophobicContact CD2-CD1 4.43Å; L506-L516 HydrophobicContact CD2-CD1 4.08Å
507L98Very high92.9Very high0 Ų028.4 Ų28.40%012%0.124CC..EExtended strand (participates in β ladder)trans-111.7119.8-179.6171.463.3000110.8F452 I463 E464 M467 V483 V484 T485 H486 W487F452-L507 HydrophobicContact CB-CB 4.44Å; F452-L507 HydrophobicContact CB-CD1 3.87Å; F452-L507 HydrophobicContact CD1-CD1 3.52Å; F452-L507 HydrophobicContact CE1-CD1 4.39Å; F452-L507 HydrophobicContact CG-CD1 3.94Å; F452-L507 WeakPolarHBondContact O-CA 3.37Å; I463-L507 HydrophobicContact CB-CD2 4.47Å; I463-L507 HydrophobicContact CG2-CD1 4.44Å; I463-L507 HydrophobicContact CG2-CD2 4.27Å; E464-L507 HydrophobicContact CB-CD2 3.89Å; M467-L507 HydrophobicContact SD-CD2 3.95Å; V483-L507 HydrophobicContact CG1-CB 4.49Å; V484-L507 PolarHBondContact O-N 3.32Å; T485-L507 WeakPolarHBondContact CA-O 3.5Å; T485-L507 HydrophobicContact CG2-CB 3.87Å; T485-L507 HydrophobicContact CG2-CD2 3.79Å; T485-L507 HydrophobicContact CG2-CG 3.93Å; H486-L507 PolarHBondContact N-O 2.92Å; W487-L507 HydrophobicContact CH2-CD1 4.14Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.35Å; W487-L507 HydrophobicContact CZ2-CD2 4.15Å; W487-L507 HydrophobicContact CZ2-CG 3.73Å
508T97Very high92.6Very high0 Ų026.8 Ų26.80%013%0.126CC..EExtended strand (participates in β ladder)trans-159.8-172.8-169.5-165.20000113.7F452 V453 C454 H486 W487 L506 L512 L513F452-T508 PolarHBondContact O-N 3.44Å; V453-T508 WeakPolarHBondContact CA-O 3.38Å; C454-T508 PolarHBondContact N-O 3.46Å; H486-T508 WeakPolarHBondContact O-CB 3.14Å; H486-T508 PolarHBondContact O-OG1 2.87Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; L506-T508 HydrophobicContact CG-CG2 4.41Å; T508-L512 VanDerWaalsContact OG1-CB 3.28Å; T508-L512 WeakPolarHBondContact OG1-CB 2.99Å; T508-L513 HydrophobicContact CG2-CB 3.91Å
509S94.8Very high92Very high11 Ų1128.9 Ų28.98%0.07714%0.138CC..  trans-106.7167.7172.961.20000112.4D511 L512 L513S509-D511 WeakPolarHBondContact CB-OD1 3.14Å; S509-D511 PolarHBondContact O-N 3.27Å; S509-D511 PolarHBondContact OG-OD1 3.48Å; S509-L512 PolarHBondContact O-N 3.04Å; S509-L512 WeakPolarHBondContact OG-CD1 3.47Å; S509-L512 VanDerWaalsContact OG-CG 3.29Å; S509-L512 WeakPolarHBondContact OG-CG 3.45Å; S509-L513 WeakPolarHBondContact O-CB 3.5Å; S509-L513 PolarHBondContact O-N 2.74Å
510V93.6Very high90.8Very high2 Ų232 Ų321%0.01215%0.154CC..Hα-helixtrans-57.9-48.7-176.21730000113V453 L513 L514 M540 L544 D547 L551V453-V510 HydrophobicContact CG1-CG2 3.72Å; V510-L513 PolarHBondContact O-N 2.93Å; V510-L514 WeakPolarHBondContact O-CG 3.45Å; V510-L514 PolarHBondContact O-N 2.79Å; V510-M540 HydrophobicContact CG2-CB 4.1Å; V510-M540 HydrophobicContact CG2-CG 4.16Å; V510-M540 HydrophobicContact CG2-SD 3.62Å; V510-L544 HydrophobicContact CB-CD1 4.23Å; V510-D547 VanDerWaalsContact CG1-C 3.46Å; V510-D547 HydrophobicContact CG1-CB 4.13Å; V510-D547 WeakPolarHBondContact CG1-O 3.45Å; V510-L551 HydrophobicContact CB-CD2 4.41Å; V510-L551 HydrophobicContact CG1-CB 4.21Å; V510-L551 HydrophobicContact CG1-CD2 4.07Å; V510-L551 HydrophobicContact CG2-CD2 4.17Å
511D90.6Very high89.6Confident32 Ų3233.1 Ų33.117%0.17116%0.161CC..Hα-helixtrans-68.2-37.9-17862.5-41.2000112.3K489 S509 L514 Q515 L544K489-D511 WeakPolarHBondContact CE-OD2 3.4Å; K489-D511 IonicContact NZ-OD2 2.68Å; K489-D511 PolarHBondContact NZ-OD2 2.83Å; S509-D511 WeakPolarHBondContact CB-OD1 3.14Å; S509-D511 PolarHBondContact O-N 3.27Å; S509-D511 PolarHBondContact OG-OD1 3.48Å; D511-L514 PolarHBondContact O-N 2.76Å; D511-Q515 WeakPolarHBondContact O-CB 3.5Å; D511-Q515 PolarHBondContact O-N 3.1Å; D511-L544 HydrophobicContact CB-CD1 3.87Å
512L93.3Very high88.7Confident5 Ų532.6 Ų32.63%0.02617%0.165CC..Hα-helixtrans-70.8-39.5176.7-67.9-178.2000112.2H486 W487 K489 T508 S509 Q515 L516H486-L512 WeakPolarHBondContact O-CD1 3.22Å; W487-L512 VanDerWaalsContact C-CD1 3.46Å; W487-L512 VanDerWaalsContact CA-CD1 3.4Å; K489-L512 HydrophobicContact CD-CD2 4.23Å; K489-L512 HydrophobicContact CG-CD2 3.41Å; K489-L512 VanDerWaalsContact CG-CD2 3.41Å; T508-L512 VanDerWaalsContact OG1-CB 3.28Å; T508-L512 WeakPolarHBondContact OG1-CB 2.99Å; S509-L512 PolarHBondContact O-N 3.04Å; S509-L512 WeakPolarHBondContact OG-CD1 3.47Å; S509-L512 VanDerWaalsContact OG-CG 3.29Å; S509-L512 WeakPolarHBondContact OG-CG 3.45Å; L512-Q515 PolarHBondContact O-N 3.09Å; L512-L516 PolarHBondContact O-N 3.17Å
513L93.8Very high88.2Confident4 Ų432.8 Ų32.82%0.02117%0.166CC..Hα-helixtrans-62-46.5170.9-178.757.4000111I451 V453 L506 T508 S509 V510 Q515 L516 L517 L551I451-L513 HydrophobicContact CG2-CD1 4.17Å; I451-L513 HydrophobicContact CG2-CD2 3.86Å; V453-L513 HydrophobicContact CG2-CD2 3.67Å; L506-L513 HydrophobicContact CD2-CD1 4.43Å; T508-L513 HydrophobicContact CG2-CB 3.91Å; S509-L513 WeakPolarHBondContact O-CB 3.5Å; S509-L513 PolarHBondContact O-N 2.74Å; V510-L513 PolarHBondContact O-N 2.93Å; L513-Q515 VanDerWaalsContact C-N 3.3Å; L513-Q515 PolarHBondContact O-N 3.2Å; L513-L516 WeakPolarHBondContact O-CB 3.46Å; L513-L516 PolarHBondContact O-N 3.42Å; L513-L517 HydrophobicContact CD1-CD1 4.18Å; L513-L517 HydrophobicContact CD1-CG 4.13Å; L513-L517 HydrophobicContact CG-CD1 4Å; L513-L517 HydrophobicContact CG-CG 4.37Å; L513-L517 WeakPolarHBondContact O-CB 3.31Å; L513-L517 VanDerWaalsContact O-CG 3.25Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.17Å; L513-L551 HydrophobicContact CD2-CD1 3.74Å; L513-L551 HydrophobicContact CD2-CD2 4.07Å; L513-L551 HydrophobicContact CG-CD1 4.25Å
514L91.4Very high87.7Confident9 Ų933.7 Ų33.75%0.04717%0.17CC..Hα-helixtrans-62.3-36.1174.5-75.8178.1000112.6V510 D511 L517 N518 D547 K550 L551V510-L514 WeakPolarHBondContact O-CG 3.45Å; V510-L514 PolarHBondContact O-N 2.79Å; D511-L514 PolarHBondContact O-N 2.76Å; L514-L517 PolarHBondContact O-N 3Å; L514-N518 VanDerWaalsContact O-CB 3.28Å; L514-N518 WeakPolarHBondContact O-CB 3.13Å; L514-N518 PolarHBondContact O-N 3.46Å; L514-N518 PolarHBondContact O-ND2 3.23Å; L514-N518 VanDerWaalsContact O-ND2 3.12Å; L514-D547 HydrophobicContact CD1-CB 3.85Å; L514-D547 WeakPolarHBondContact CD1-O 3.26Å; L514-K550 HydrophobicContact CD1-CB 4.08Å; L514-L551 HydrophobicContact CD2-CB 4.33Å; L514-L551 HydrophobicContact CD2-CD1 4.37Å; L514-L551 HydrophobicContact CG-CB 4.39Å
515Q89.8Confident87.4Confident56 Ų5637.5 Ų37.526%0.26219%0.19SC..Hα-helixtrans-63.4-42.5175.4-172176.6-27.700111.6K489 L492 D511 L512 L513 H519K489-Q515 VanDerWaalsContact CG-OE1 3.29Å; L492-Q515 HydrophobicContact CD1-CG 3.94Å; L492-Q515 HydrophobicContact CD2-CG 4.27Å; D511-Q515 WeakPolarHBondContact O-CB 3.5Å; D511-Q515 PolarHBondContact O-N 3.1Å; L512-Q515 PolarHBondContact O-N 3.09Å; L513-Q515 VanDerWaalsContact C-N 3.3Å; L513-Q515 PolarHBondContact O-N 3.2Å; Q515-H519 WeakPolarHBondContact O-CB 3.37Å; Q515-H519 PolarHBondContact O-N 2.91Å; Q515-H519 VanDerWaalsContact O-N 3.14Å
516L90.2Very high86.9Confident0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-60.1-55.4170.5-72.6167.9000111L492 I495 V496 L499 L506 L512 L513 N518 H519 I523L492-L516 HydrophobicContact CD1-CD2 3.68Å; L492-L516 HydrophobicContact CD1-CG 4.11Å; I495-L516 HydrophobicContact CG2-CD1 4.2Å; I495-L516 HydrophobicContact CG2-CD2 4.05Å; V496-L516 HydrophobicContact CG2-CD2 3.63Å; L499-L516 HydrophobicContact CD1-CD1 4.27Å; L499-L516 HydrophobicContact CD1-CD2 4.42Å; L506-L516 HydrophobicContact CD2-CD1 4.08Å; L512-L516 PolarHBondContact O-N 3.17Å; L513-L516 WeakPolarHBondContact O-CB 3.46Å; L513-L516 PolarHBondContact O-N 3.42Å; L516-N518 PolarHBondContact O-N 3.38Å; L516-N518 VanDerWaalsContact O-N 3.08Å; L516-H519 PolarHBondContact O-N 2.93Å; L516-I523 HydrophobicContact CB-CD1 4.33Å; L516-I523 HydrophobicContact CD2-CD1 4.45Å; L516-I523 WeakPolarHBondContact O-CD1 3.44Å
517L86.9Confident86.5Confident12 Ų1242.9 Ų42.96%0.06322%0.219CC..Hα-helixtrans-62-17.5-176.7-67.2179.5000114.8L513 L514 F524 L551 M558L513-L517 HydrophobicContact CD1-CD1 4.18Å; L513-L517 HydrophobicContact CD1-CG 4.13Å; L513-L517 HydrophobicContact CG-CD1 4Å; L513-L517 HydrophobicContact CG-CG 4.37Å; L513-L517 WeakPolarHBondContact O-CB 3.31Å; L513-L517 VanDerWaalsContact O-CG 3.25Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.17Å; L514-L517 PolarHBondContact O-N 3Å; L517-F524 HydrophobicContact CD2-CE1 4.07Å; L517-F524 HydrophobicContact CD2-CZ 3.78Å; L517-L551 HydrophobicContact CD1-CD1 4.36Å; L517-M558 HydrophobicContact CD1-SD 4Å; L517-M558 HydrophobicContact CD2-CE 3.51Å; L517-M558 HydrophobicContact CD2-SD 3.8Å; L517-M558 HydrophobicContact CG-SD 4.41Å
518N84.9Confident86.1Confident105 Ų10543.5 Ų43.556%0.56122%0.224SC*.Hα-helixtrans-97.9-18.9174.5-68.6-22.9000113.5L514 L516 R554L514-N518 VanDerWaalsContact O-CB 3.28Å; L514-N518 WeakPolarHBondContact O-CB 3.13Å; L514-N518 PolarHBondContact O-N 3.46Å; L514-N518 PolarHBondContact O-ND2 3.23Å; L514-N518 VanDerWaalsContact O-ND2 3.12Å; L516-N518 PolarHBondContact O-N 3.38Å; L516-N518 VanDerWaalsContact O-N 3.08Å; N518-R554 PolarHBondContact OD1-NH1 2.99Å
519H78.5Confident85.9Confident106 Ų10643.6 Ų43.649%0.49123%0.225SC..Hα-helixtrans-79.6-35.2-175.5-174.264.9000112.7L492 Q515 L516L492-H519 HydrophobicContact CD2-CB 4.13Å; Q515-H519 WeakPolarHBondContact O-CB 3.37Å; Q515-H519 PolarHBondContact O-N 2.91Å; Q515-H519 VanDerWaalsContact O-N 3.14Å; L516-H519 PolarHBondContact O-N 2.93Å
520N67.9Low85.9Confident66 Ų6647 Ų4735%0.35324%0.238SC..  trans-159.4125.3175.9168.75.1000109.8N522 I523N520-N522 PolarHBondContact O-N 2.79Å; N520-N522 PolarHBondContact OD1-N 3.16Å; N520-I523 HydrophobicContact CB-CD1 4.05Å; N520-I523 HydrophobicContact CB-CG1 3.69Å; N520-I523 WeakPolarHBondContact O-CD1 3.27Å; N520-I523 VanDerWaalsContact O-CG1 3.29Å; N520-I523 WeakPolarHBondContact O-CG1 3.37Å
521H65.7Low86Confident149 Ų14947.4 Ų47.469%0.6924%0.241SC*.THydrogen-bonded Turntrans-65.8-20-177.7-62.1-72.7000114.1
522N71.7Confident86.3Confident124 Ų12446 Ų4666%0.66323%0.234SC*.THydrogen-bonded Turntrans-115.733.3-174.2-64.3-16000112.7N520N520-N522 PolarHBondContact O-N 2.79Å; N520-N522 PolarHBondContact OD1-N 3.16Å
523I80.9Confident86.5Confident6 Ų645.8 Ų45.83%0.03123%0.233CC..SBendtrans-63.9-42.7175.9-67.7162.5000110.9V496 L499 L516 N520V496-I523 HydrophobicContact CG1-CG1 4.41Å; V496-I523 HydrophobicContact CG2-CD1 4.02Å; V496-I523 HydrophobicContact CG2-CG1 4.43Å; L499-I523 HydrophobicContact CB-CG2 3.69Å; L499-I523 HydrophobicContact CD1-CG2 3.87Å; L499-I523 HydrophobicContact CG-CG2 4.45Å; L516-I523 HydrophobicContact CB-CD1 4.33Å; L516-I523 HydrophobicContact CD2-CD1 4.45Å; L516-I523 WeakPolarHBondContact O-CD1 3.44Å; N520-I523 HydrophobicContact CB-CD1 4.05Å; N520-I523 HydrophobicContact CB-CG1 3.69Å; N520-I523 WeakPolarHBondContact O-CD1 3.27Å; N520-I523 VanDerWaalsContact O-CG1 3.29Å; N520-I523 WeakPolarHBondContact O-CG1 3.37Å
524F84.9Confident86.6Confident20 Ų2045.7 Ų45.79%0.08823%0.232CC..SBendtrans-143.5159.7-177.360.2-106.6000111.9R446 I451 L517 A526 V529 F559R446-F524 WeakPolarHBondContact O-CB 3.47Å; I451-F524 HydrophobicContact CD1-CE1 4.48Å; I451-F524 HydrophobicContact CD1-CE2 4Å; I451-F524 HydrophobicContact CD1-CZ 3.67Å; L517-F524 HydrophobicContact CD2-CE1 4.07Å; L517-F524 HydrophobicContact CD2-CZ 3.78Å; F524-A526 PolarHBondContact O-N 2.89Å; F524-V529 HydrophobicContact CD2-CG2 4.07Å; F524-V529 HydrophobicContact CE2-CG2 3.99Å; F524-F559 HydrophobicContact CE2-CE1 4.09Å; F524-F559 AromaticContact CE2-CZ 3.95Å; F524-F559 HydrophobicContact CE2-CZ 3.95Å; F524-F559 HydrophobicContact CZ-CZ 4.27Å
525D87.3Confident86.9Confident80 Ų8045.3 Ų45.343%0.42823%0.23SC..  trans-81.5115.9175.3175.116.1000110.8R446 Q527 A528 V529R446-D525 PolarHBondContact O-N 3.32Å; R446-D525 VanDerWaalsContact O-N 3.08Å; D525-Q527 VanDerWaalsContact C-N 3.27Å; D525-Q527 PolarHBondContact O-N 2.88Å; D525-Q527 WeakPolarHBondContact OD1-CB 3.16Å; D525-Q527 PolarHBondContact OD1-N 2.72Å; D525-A528 HydrophobicContact CB-CB 3.85Å; D525-A528 WeakPolarHBondContact O-CB 3.33Å; D525-A528 PolarHBondContact O-N 3.08Å; D525-A528 VanDerWaalsContact O-N 3.08Å; D525-V529 PolarHBondContact O-N 3.12Å
526A86.9Confident87Confident26 Ų2643.3 Ų43.322%0.21522%0.221CC..THydrogen-bonded Turntrans-67.8-23.1178.300000113.6F524 A528 M558 F559F524-A526 PolarHBondContact O-N 2.89Å; A526-A528 VanDerWaalsContact C-N 3.29Å; A526-M558 WeakPolarHBondContact CB-O 3.46Å; A526-F559 HydrophobicContact CB-CD1 4.08Å; A526-F559 HydrophobicContact CB-CE1 3.9Å
527Q87.9Confident87.2Confident87 Ų8743.4 Ų43.441%0.40722%0.222SC..THydrogen-bonded Turntrans-75.6-20.1171.7-63.8-65.1-45.400112.2D525 K530D525-Q527 VanDerWaalsContact C-N 3.27Å; D525-Q527 PolarHBondContact O-N 2.88Å; D525-Q527 WeakPolarHBondContact OD1-CB 3.16Å; D525-Q527 PolarHBondContact OD1-N 2.72Å; Q527-K530 PolarHBondContact O-NZ 3.22Å
528A89.9Confident87.3Confident13 Ų1343.7 Ų43.711%0.10722%0.224CC..THydrogen-bonded Turntrans-83.8-19.9178.200000112.8R441 D525 A526 K530R441-A528 VanDerWaalsContact NH2-C 3.33Å; R441-A528 VanDerWaalsContact NH2-CB 3.28Å; R441-A528 PolarHBondContact NH2-O 2.79Å; D525-A528 HydrophobicContact CB-CB 3.85Å; D525-A528 WeakPolarHBondContact O-CB 3.33Å; D525-A528 PolarHBondContact O-N 3.08Å; D525-A528 VanDerWaalsContact O-N 3.08Å; A526-A528 VanDerWaalsContact C-N 3.29Å; A528-K530 PolarHBondContact O-N 3.2Å
529V93.4Very high87.5Confident2 Ų238.8 Ų38.81%0.01220%0.197CC..  trans-72120.5169.9-179.80000109.5P448 T449 I451 F524 D525 I532 F559P448-V529 HydrophobicContact CG-CG2 4.28Å; P448-V529 WeakPolarHBondContact O-CG2 3.31Å; T449-V529 CarbonylContact O-C 3.59Å; T449-V529 WeakPolarHBondContact O-CA 3.42Å; I451-V529 HydrophobicContact CD1-CG1 4.25Å; I451-V529 HydrophobicContact CD1-CG2 4.15Å; I451-V529 HydrophobicContact CG1-CG1 4.21Å; I451-V529 HydrophobicContact CG1-CG2 4.39Å; F524-V529 HydrophobicContact CD2-CG2 4.07Å; F524-V529 HydrophobicContact CE2-CG2 3.99Å; D525-V529 PolarHBondContact O-N 3.12Å; V529-I532 HydrophobicContact CG1-CG1 4.05Å; V529-F559 HydrophobicContact CB-CD1 4.15Å; V529-F559 HydrophobicContact CB-CE1 3.83Å; V529-F559 HydrophobicContact CG1-CD1 4.29Å; V529-F559 HydrophobicContact CG1-CE1 4.02Å; V529-F559 HydrophobicContact CG2-CE1 3.87Å
530K94.1Very high88Confident83 Ų8334 Ų3436%0.36118%0.175SC..  trans-107.7-13.4-178.9-55.5-51.6-177.6-169.20113.7T449 Q527 A528 K565 C566 Q567T449-K530 HydrophobicContact CG2-CB 4.24Å; T449-K530 HydrophobicContact CG2-CG 4.13Å; T449-K530 PolarHBondContact O-N 3.14Å; Q527-K530 PolarHBondContact O-NZ 3.22Å; A528-K530 PolarHBondContact O-N 3.2Å; K530-K565 WeakPolarHBondContact CD-O 3.4Å; K530-C566 WeakPolarHBondContact O-CA 3.37Å; K530-Q567 PolarHBondContact O-N 2.9Å
531C95.3Very high88.9Confident11 Ų1132.1 Ų32.17%0.07417%0.166CC..EExtended strand (participates in β ladder)trans-148.5138.2-176.4179.70000111.3T449 C450 I451 Q567 L569T449-C531 PolarHBondContact O-N 3.21Å; C450-C531 WeakPolarHBondContact CA-O 3.19Å; C450-C531 HydrophobicContact CB-CB 4.18Å; C450-C531 VanDerWaalsContact SG-SG 3.67Å; I451-C531 PolarHBondContact N-O 3.39Å; C531-Q567 CarbonylContact C-O 3.6Å; C531-Q567 WeakPolarHBondContact CA-O 3.33Å; C531-L569 WeakPolarHBondContact SG-CD1 3.33Å
532I96.9Very high89.5Confident2 Ų232.1 Ų32.11%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-126.1126.1168.7-62.6175.8000108.2I451 V529 L534 L555 F559 L561 Q567 L568 L569I451-I532 HydrophobicContact CB-CG1 4.39Å; I451-I532 CarbonylContact O-C 3.56Å; I451-I532 WeakPolarHBondContact O-CA 3.32Å; V529-I532 HydrophobicContact CG1-CG1 4.05Å; I532-L534 HydrophobicContact CG2-CD2 4.18Å; I532-L534 HydrophobicContact CG2-CG 4.48Å; I532-L555 HydrophobicContact CD1-CD2 4.04Å; I532-F559 HydrophobicContact CD1-CB 4.26Å; I532-F559 HydrophobicContact CD1-CD1 4.12Å; I532-F559 HydrophobicContact CD1-CD2 3.41Å; I532-F559 VanDerWaalsContact CD1-CD2 3.41Å; I532-F559 HydrophobicContact CD1-CE1 4.34Å; I532-F559 HydrophobicContact CD1-CE2 3.67Å; I532-F559 HydrophobicContact CD1-CG 3.66Å; I532-F559 HydrophobicContact CD1-CZ 4.14Å; I532-L561 HydrophobicContact CD1-CD2 4.33Å; I532-Q567 PolarHBondContact N-O 2.83Å; I532-L568 HydrophobicContact CB-CD1 4.12Å; I532-L568 HydrophobicContact CG2-CD1 4.02Å; I532-L569 PolarHBondContact O-N 2.81Å
533A97.7Very high89.8Confident0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-115.2127177.900000111.1Y426 I451 F452 V453 L569Y426-A533 HydrophobicContact CE2-CB 4.13Å; I451-A533 PolarHBondContact O-N 2.89Å; F452-A533 HydrophobicContact CD1-CB 4.39Å; F452-A533 HydrophobicContact CD2-CB 3.55Å; F452-A533 HydrophobicContact CE2-CB 3.73Å; F452-A533 HydrophobicContact CG-CB 3.91Å; F452-A533 HydrophobicContact CZ-CB 4.2Å; V453-A533 PolarHBondContact N-O 3.09Å; A533-L569 CarbonylContact C-O 3.5Å; A533-L569 WeakPolarHBondContact CA-O 3.34Å; A533-L569 HydrophobicContact CB-CB 4.25Å; A533-L569 HydrophobicContact CB-CD1 4.43Å
534L97.4Very high89.8Confident2 Ų230.6 Ų30.61%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-115.586.3176.5-54.8-178.9000109V453 I532 L537 M540 L552 L555 L568 L569 V570 S571V453-L534 HydrophobicContact CB-CD2 3.89Å; V453-L534 HydrophobicContact CG2-CD2 3.91Å; I532-L534 HydrophobicContact CG2-CD2 4.18Å; I532-L534 HydrophobicContact CG2-CG 4.48Å; L534-L537 HydrophobicContact CD1-CD1 4.46Å; L534-M540 HydrophobicContact CB-CE 4.02Å; L534-L552 HydrophobicContact CD1-CD2 3.75Å; L534-L555 HydrophobicContact CD1-CD1 4.26Å; L534-L568 HydrophobicContact CD1-CD1 4.25Å; L534-L568 HydrophobicContact CG-CD1 4.3Å; L534-L569 PolarHBondContact N-O 3.27Å; L534-V570 HydrophobicContact CB-CG2 4.44Å; L534-V570 HydrophobicContact CD1-CG2 4.39Å; L534-S571 PolarHBondContact O-N 3.38Å
535D96Very high89.7Confident2 Ų231.2 Ų31.21%0.01116%0.16CC..THydrogen-bonded Turntrans-83.9131.1-176.6-160.717.9000112.4T423 Y426 F452 V453 P455 M540 S571T423-D535 WeakPolarHBondContact CB-OD2 3.33Å; T423-D535 WeakPolarHBondContact CG2-OD2 3.4Å; T423-D535 PolarHBondContact OG1-OD2 2.8Å; Y426-D535 VanDerWaalsContact OH-CB 3.29Å; Y426-D535 WeakPolarHBondContact OH-CB 3.48Å; Y426-D535 PolarHBondContact OH-OD1 3.05Å; Y426-D535 VanDerWaalsContact OH-OD1 3.07Å; F452-D535 HydrophobicContact CE1-CB 3.73Å; F452-D535 HydrophobicContact CZ-CB 4.07Å; V453-D535 PolarHBondContact O-N 3.01Å; P455-D535 WeakPolarHBondContact CD-O 3.42Å; D535-M540 WeakPolarHBondContact O-CE 3.46Å; D535-S571 WeakPolarHBondContact OD1-CB 3.17Å; D535-S571 PolarHBondContact OD1-OG 3.38Å
536N92.9Very high89.4Confident14 Ų1430 Ų308%0.07515%0.153CC..THydrogen-bonded Turntrans52.351.9-173.6-59-55.7000113.6K422 P455 Q459 N538 D539 M540 S571K422-N536 WeakPolarHBondContact CE-OD1 3.16Å; P455-N536 HydrophobicContact CG-CB 3.88Å; Q459-N536 PolarHBondContact OE1-ND2 2.94Å; N536-N538 PolarHBondContact O-N 3.01Å; N536-N538 VanDerWaalsContact O-N 3.07Å; N536-D539 HydrophobicContact CB-CB 4.18Å; N536-D539 WeakPolarHBondContact O-CA 3.06Å; N536-D539 WeakPolarHBondContact O-CB 3.43Å; N536-D539 PolarHBondContact O-N 2.9Å; N536-M540 PolarHBondContact O-N 2.99Å; N536-S571 CarbonylContact C-O 3.58Å; N536-S571 WeakPolarHBondContact CA-O 3.38Å; N536-S571 PolarHBondContact N-O 3.07Å; N536-S571 PolarHBondContact N-OG 3.22Å
537L94.3Very high89.4Confident1 Ų130.6 Ų30.61%0.00515%0.153CC..Hα-helixtrans-48.2-37.5179.3179.265.4000114L534 D539 M540 V541 T548 V570 S571 L579 M580 I584L534-L537 HydrophobicContact CD1-CD1 4.46Å; L537-D539 VanDerWaalsContact C-N 3.29Å; L537-D539 PolarHBondContact O-N 3.31Å; L537-M540 HydrophobicContact CD1-SD 4.15Å; L537-M540 WeakPolarHBondContact O-CB 3.39Å; L537-M540 PolarHBondContact O-N 3.05Å; L537-M540 VanDerWaalsContact O-N 3.14Å; L537-V541 HydrophobicContact CD1-CG2 4.37Å; L537-V541 WeakPolarHBondContact O-CG2 3.41Å; L537-V541 PolarHBondContact O-N 3.36Å; L537-T548 HydrophobicContact CD1-CG2 3.86Å; L537-V570 HydrophobicContact CB-CG1 4.13Å; L537-V570 HydrophobicContact CD2-CG1 3.8Å; L537-S571 PolarHBondContact N-O 2.83Å; L537-L579 HydrophobicContact CD2-CD2 4Å; L537-L579 HydrophobicContact CD2-CG 4.38Å; L537-L579 HydrophobicContact CG-CD2 4.2Å; L537-M580 HydrophobicContact CD2-CE 4.44Å; L537-I584 HydrophobicContact CD2-CD1 3.55Å; L537-I584 HydrophobicContact CD2-CG1 3.74Å
538N89.9Confident89.5Confident19 Ų1926.5 Ų26.510%0.10213%0.134CC..Hα-helixtrans-64.3-32.2176.4-52.8102.4000113.2N536 R542 G572 R573 I574N536-N538 PolarHBondContact O-N 3.01Å; N536-N538 VanDerWaalsContact O-N 3.07Å; N538-R542 WeakPolarHBondContact O-CB 3.4Å; N538-R542 PolarHBondContact O-N 2.92Å; N538-R542 VanDerWaalsContact O-N 3.08Å; N538-G572 WeakPolarHBondContact OD1-CA 3.48Å; N538-R573 PolarHBondContact OD1-N 2.87Å; N538-I574 PolarHBondContact ND2-O 3.09Å; N538-I574 PolarHBondContact OD1-N 3.38Å; N538-I574 VanDerWaalsContact OD1-N 3.08Å; N538-I574 PolarHBondContact OD1-O 3.31Å
539D87.3Confident89.5Confident2 Ų228.1 Ų28.11%0.01114%0.14CC..Hα-helixtrans-71.6-36.6173.7-71.8-40.4000110.2P455 N536 L537 R542 V543 R573P455-D539 HydrophobicContact CB-CB 3.73Å; P455-D539 HydrophobicContact CG-CB 3.52Å; N536-D539 HydrophobicContact CB-CB 4.18Å; N536-D539 WeakPolarHBondContact O-CA 3.06Å; N536-D539 WeakPolarHBondContact O-CB 3.43Å; N536-D539 PolarHBondContact O-N 2.9Å; L537-D539 VanDerWaalsContact C-N 3.29Å; L537-D539 PolarHBondContact O-N 3.31Å; D539-R542 PolarHBondContact O-N 3.29Å; D539-R542 IonicContact OD1-CZ 3.47Å; D539-R542 IonicContact OD1-NH1 2.69Å; D539-R542 PolarHBondContact OD1-NH1 2.82Å; D539-R542 IonicContact OD1-NH2 3.34Å; D539-R542 PolarHBondContact OD1-NH2 3.08Å; D539-V543 WeakPolarHBondContact O-CG2 3.41Å; D539-V543 PolarHBondContact O-N 2.86Å; D539-V543 VanDerWaalsContact O-N 3.11Å; D539-R573 IonicContact OD1-CZ 3.29Å; D539-R573 IonicContact OD1-NE 3.26Å; D539-R573 PolarHBondContact OD1-NE 2.97Å; D539-R573 IonicContact OD1-NH2 3.75Å; D539-R573 PolarHBondContact OD1-NH2 2.91Å; D539-R573 IonicContact OD2-CZ 2.74Å; D539-R573 VanDerWaalsContact OD2-CZ 3.23Å; D539-R573 IonicContact OD2-NE 3.89Å; D539-R573 PolarHBondContact OD2-NE 3.39Å; D539-R573 IonicContact OD2-NH2 2.87Å; D539-R573 PolarHBondContact OD2-NH2 2.86Å
540M89.6Confident89.4Confident4 Ų432.8 Ų32.82%0.0216%0.16CC..Hα-helixtrans-60.3-51.2172.8-53.1-175.9-163.400111.4V453 P455 V510 L534 D535 N536 L537 R542 V543 L544 T548V453-M540 HydrophobicContact CB-CE 4.11Å; V453-M540 HydrophobicContact CG1-CE 4.01Å; V453-M540 HydrophobicContact CG1-SD 3.99Å; V453-M540 WeakPolarHBondContact O-CE 3.22Å; P455-M540 HydrophobicContact CB-CG 4.24Å; P455-M540 HydrophobicContact CG-CG 4.05Å; V510-M540 HydrophobicContact CG2-CB 4.1Å; V510-M540 HydrophobicContact CG2-CG 4.16Å; V510-M540 HydrophobicContact CG2-SD 3.62Å; L534-M540 HydrophobicContact CB-CE 4.02Å; D535-M540 WeakPolarHBondContact O-CE 3.46Å; N536-M540 PolarHBondContact O-N 2.99Å; L537-M540 HydrophobicContact CD1-SD 4.15Å; L537-M540 WeakPolarHBondContact O-CB 3.39Å; L537-M540 PolarHBondContact O-N 3.05Å; L537-M540 VanDerWaalsContact O-N 3.14Å; M540-R542 PolarHBondContact O-N 2.9Å; M540-V543 PolarHBondContact O-N 3.47Å; M540-L544 CarbonylContact O-C 3.55Å; M540-L544 PolarHBondContact O-N 2.83Å; M540-T548 HydrophobicContact CB-CG2 4.09Å; M540-T548 PolarHBondContact O-OG1 2.85Å
541V86.6Confident89.3Confident27 Ų2729 Ų2916%0.16414%0.144CC..Hα-helixtrans-64.4-28179.6175.60000112.1L537 P545 T548 L579L537-V541 HydrophobicContact CD1-CG2 4.37Å; L537-V541 WeakPolarHBondContact O-CG2 3.41Å; L537-V541 PolarHBondContact O-N 3.36Å; V541-P545 VanDerWaalsContact O-CA 3.31Å; V541-P545 WeakPolarHBondContact O-CA 3.36Å; V541-P545 VanDerWaalsContact O-CB 3.29Å; V541-P545 WeakPolarHBondContact O-CB 3.43Å; V541-T548 HydrophobicContact CG2-CG2 3.6Å; V541-L579 HydrophobicContact CG2-CD1 4.33Å; V541-L579 HydrophobicContact CG2-CD2 3.88Å
542R79.2Confident89.2Confident150 Ų15028.8 Ų28.857%0.56614%0.142SC*.Hα-helixtrans-71.7-40.8173.4-173.5179.165.3-102.7-5.9112.6N538 D539 M540N538-R542 WeakPolarHBondContact O-CB 3.4Å; N538-R542 PolarHBondContact O-N 2.92Å; N538-R542 VanDerWaalsContact O-N 3.08Å; D539-R542 PolarHBondContact O-N 3.29Å; D539-R542 IonicContact OD1-CZ 3.47Å; D539-R542 IonicContact OD1-NH1 2.69Å; D539-R542 PolarHBondContact OD1-NH1 2.82Å; D539-R542 IonicContact OD1-NH2 3.34Å; D539-R542 PolarHBondContact OD1-NH2 3.08Å; M540-R542 PolarHBondContact O-N 2.9Å
543V77.6Confident89Confident69 Ų6934 Ų3442%0.41817%0.166SC..Hα-helixtrans-84.7-45.4-174.6-177.90000111.7D539 M540D539-V543 WeakPolarHBondContact O-CG2 3.41Å; D539-V543 PolarHBondContact O-N 2.86Å; D539-V543 VanDerWaalsContact O-N 3.11Å; M540-V543 PolarHBondContact O-N 3.47Å
544L80.9Confident88.6Confident29 Ų2936.5 Ų36.515%0.15218%0.175CC..SBendtrans-129.465-175.3-62.5174.7000110.7V510 D511 M540 N546 D547 T548V510-L544 HydrophobicContact CB-CD1 4.23Å; D511-L544 HydrophobicContact CB-CD1 3.87Å; M540-L544 CarbonylContact O-C 3.55Å; M540-L544 PolarHBondContact O-N 2.83Å; L544-N546 PolarHBondContact O-N 2.82Å; L544-D547 HydrophobicContact CB-CB 4.45Å; L544-T548 VanDerWaalsContact O-CB 3.29Å; L544-T548 WeakPolarHBondContact O-CB 3.43Å; L544-T548 PolarHBondContact O-N 2.79Å; L544-T548 PolarHBondContact O-OG1 2.97Å
545P81.8Confident88.3Confident33 Ų3336.6 Ų36.621%0.21418%0.176CC..Hα-helixtrans-57.2-51.9-173.519.2-30.8000112.7V541 D547 T548 M549V541-P545 VanDerWaalsContact O-CA 3.31Å; V541-P545 WeakPolarHBondContact O-CA 3.36Å; V541-P545 VanDerWaalsContact O-CB 3.29Å; V541-P545 WeakPolarHBondContact O-CB 3.43Å; P545-D547 PolarHBondContact O-N 3.5Å; P545-T548 PolarHBondContact O-N 3.05Å; P545-M549 WeakPolarHBondContact O-CG 3.46Å; P545-M549 PolarHBondContact O-N 3.48Å
546N81.4Confident88Confident53 Ų5339.8 Ų39.828%0.28320%0.197SC..Hα-helixtrans-65.5-42.4-174.8-70-48.7000112.2L544 M549 K550L544-N546 PolarHBondContact O-N 2.82Å; N546-M549 PolarHBondContact O-N 3.34Å; N546-K550 WeakPolarHBondContact O-CG 3.45Å; N546-K550 PolarHBondContact O-N 3.12Å; N546-K550 VanDerWaalsContact O-N 3.08Å
547D86.8Confident87.8Confident40 Ų4045.6 Ų45.621%0.21422%0.224CC..Hα-helixtrans-76-31.2-179-77.24.3000111.6V510 L514 L544 P545 K550 L551V510-D547 VanDerWaalsContact CG1-C 3.46Å; V510-D547 HydrophobicContact CG1-CB 4.13Å; V510-D547 WeakPolarHBondContact CG1-O 3.45Å; L514-D547 HydrophobicContact CD1-CB 3.85Å; L514-D547 WeakPolarHBondContact CD1-O 3.26Å; L544-D547 HydrophobicContact CB-CB 4.45Å; P545-D547 PolarHBondContact O-N 3.5Å; D547-K550 PolarHBondContact O-N 3.28Å; D547-K550 WeakPolarHBondContact OD1-CE 3.42Å; D547-K550 IonicContact OD1-NZ 3.75Å; D547-K550 PolarHBondContact OD1-NZ 3.34Å; D547-L551 WeakPolarHBondContact O-CB 3.33Å; D547-L551 PolarHBondContact O-N 3.42Å
548T90.8Very high87.4Confident1 Ų147.9 Ų47.91%0.00624%0.235CC..Hα-helixtrans-64.8-42171-52.30000111L537 M540 V541 L544 P545 L551 L552L537-T548 HydrophobicContact CD1-CG2 3.86Å; M540-T548 HydrophobicContact CB-CG2 4.09Å; M540-T548 PolarHBondContact O-OG1 2.85Å; V541-T548 HydrophobicContact CG2-CG2 3.6Å; L544-T548 VanDerWaalsContact O-CB 3.29Å; L544-T548 WeakPolarHBondContact O-CB 3.43Å; L544-T548 PolarHBondContact O-N 2.79Å; L544-T548 PolarHBondContact O-OG1 2.97Å; P545-T548 PolarHBondContact O-N 3.05Å; T548-L551 PolarHBondContact O-N 3.08Å; T548-L552 HydrophobicContact CG2-CD1 4.49Å; T548-L552 WeakPolarHBondContact O-CG 3.39Å; T548-L552 PolarHBondContact O-N 2.79Å
549M89.7Confident87.4Confident47 Ų4747.5 Ų47.523%0.23223%0.232CC..Hα-helixtrans-64.8-41.3176.1-65.6-43.7-56.300112.7P545 N546 L551 L552 Q553 L579 H583P545-M549 WeakPolarHBondContact O-CG 3.46Å; P545-M549 PolarHBondContact O-N 3.48Å; N546-M549 PolarHBondContact O-N 3.34Å; M549-L551 VanDerWaalsContact C-N 3.35Å; M549-L551 PolarHBondContact O-N 3.49Å; M549-L552 HydrophobicContact CE-CD1 4.41Å; M549-L552 PolarHBondContact O-N 3.19Å; M549-L552 HydrophobicContact SD-CD1 4.35Å; M549-Q553 WeakPolarHBondContact O-CG 3.36Å; M549-Q553 PolarHBondContact O-N 2.91Å; M549-L579 HydrophobicContact CE-CD1 4.37Å; M549-L579 HydrophobicContact SD-CD1 3.91Å; M549-H583 HydrophobicContact CE-CB 4.26Å; M549-H583 WeakPolarHBondContact CE-CD2 3.03Å; M549-H583 WeakPolarHBondContact CE-NE2 3.45Å
550K90.9Very high87.4Confident100 Ų10051.7 Ų51.744%0.43525%0.252SS..Hα-helixtrans-59.6-43.9173.1-69.2168.1-159.8164.10111.8L514 N546 D547 Q553 R554L514-K550 HydrophobicContact CD1-CB 4.08Å; N546-K550 WeakPolarHBondContact O-CG 3.45Å; N546-K550 PolarHBondContact O-N 3.12Å; N546-K550 VanDerWaalsContact O-N 3.08Å; D547-K550 PolarHBondContact O-N 3.28Å; D547-K550 WeakPolarHBondContact OD1-CE 3.42Å; D547-K550 IonicContact OD1-NZ 3.75Å; D547-K550 PolarHBondContact OD1-NZ 3.34Å; K550-Q553 PolarHBondContact O-N 2.97Å; K550-R554 WeakPolarHBondContact O-CG 3.25Å; K550-R554 PolarHBondContact O-N 3.25Å; K550-R554 VanDerWaalsContact O-N 3.11Å
551L92.8Very high87.3Confident3 Ų352.2 Ų52.22%0.01626%0.255CS..Hα-helixtrans-59.9-50.3177.8177.760.8000110.6V510 L513 L514 L517 D547 T548 M549 Q553 R554 L555V510-L551 HydrophobicContact CB-CD2 4.41Å; V510-L551 HydrophobicContact CG1-CB 4.21Å; V510-L551 HydrophobicContact CG1-CD2 4.07Å; V510-L551 HydrophobicContact CG2-CD2 4.17Å; L513-L551 HydrophobicContact CD2-CD1 3.74Å; L513-L551 HydrophobicContact CD2-CD2 4.07Å; L513-L551 HydrophobicContact CG-CD1 4.25Å; L514-L551 HydrophobicContact CD2-CB 4.33Å; L514-L551 HydrophobicContact CD2-CD1 4.37Å; L514-L551 HydrophobicContact CG-CB 4.39Å; L517-L551 HydrophobicContact CD1-CD1 4.36Å; D547-L551 WeakPolarHBondContact O-CB 3.33Å; D547-L551 PolarHBondContact O-N 3.42Å; T548-L551 PolarHBondContact O-N 3.08Å; M549-L551 VanDerWaalsContact C-N 3.35Å; M549-L551 PolarHBondContact O-N 3.49Å; L551-Q553 VanDerWaalsContact C-N 3.28Å; L551-Q553 PolarHBondContact O-N 2.88Å; L551-R554 PolarHBondContact O-N 2.66Å; L551-L555 HydrophobicContact CD1-CD2 4.06Å; L551-L555 WeakPolarHBondContact O-CG 3.34Å; L551-L555 PolarHBondContact O-N 2.8Å
552L93.3Very high87Confident6 Ų654.1 Ų54.13%0.03127%0.266CS..Hα-helixtrans-59.9-35.3179.1-67.5178.9000113.2L534 T548 M549 L555 P556 L579 H583 I584L534-L552 HydrophobicContact CD1-CD2 3.75Å; T548-L552 HydrophobicContact CG2-CD1 4.49Å; T548-L552 WeakPolarHBondContact O-CG 3.39Å; T548-L552 PolarHBondContact O-N 2.79Å; M549-L552 HydrophobicContact CE-CD1 4.41Å; M549-L552 PolarHBondContact O-N 3.19Å; M549-L552 HydrophobicContact SD-CD1 4.35Å; L552-L555 HydrophobicContact CD2-CD1 4.16Å; L552-P556 VanDerWaalsContact O-CD 3.28Å; L552-P556 WeakPolarHBondContact O-CD 3.43Å; L552-L579 HydrophobicContact CD1-CD1 3.7Å; L552-H583 HydrophobicContact CD1-CB 4.28Å; L552-I584 HydrophobicContact CD1-CD1 3.85Å; L552-I584 HydrophobicContact CD2-CD1 3.54Å; L552-I584 HydrophobicContact CG-CD1 4.34Å
553Q91.4Very high86.6Confident111 Ų11150.2 Ų50.252%0.51926%0.255SS..Hα-helixtrans-66.2-38173.9-73.9169.4-23.900112.5M549 K550 L551 P556M549-Q553 WeakPolarHBondContact O-CG 3.36Å; M549-Q553 PolarHBondContact O-N 2.91Å; K550-Q553 PolarHBondContact O-N 2.97Å; L551-Q553 VanDerWaalsContact C-N 3.28Å; L551-Q553 PolarHBondContact O-N 2.88Å; Q553-P556 WeakPolarHBondContact O-CD 3.47Å; Q553-P556 WeakPolarHBondContact O-CG 3.29Å
554R90.1Very high86.5Confident53 Ų5353.4 Ų53.420%0.227%0.269CS..Hα-helixtrans-83.7-19.2-178.1-62.3-168.671.4-163.3-0.5114.8N518 K550 L551 E557 M558N518-R554 PolarHBondContact OD1-NH1 2.99Å; K550-R554 WeakPolarHBondContact O-CG 3.25Å; K550-R554 PolarHBondContact O-N 3.25Å; K550-R554 VanDerWaalsContact O-N 3.11Å; L551-R554 PolarHBondContact O-N 2.66Å; R554-E557 WeakPolarHBondContact CG-OE2 3.25Å; R554-E557 IonicContact NE-OE2 3.28Å; R554-E557 PolarHBondContact NE-OE2 3.17Å; R554-E557 WeakPolarHBondContact O-CB 3.28Å; R554-E557 PolarHBondContact O-N 3.07Å; R554-M558 WeakPolarHBondContact O-CG 3.38Å; R554-M558 PolarHBondContact O-N 3.08Å
555L90.9Very high86.7Confident4 Ų456.5 Ų56.52%0.02128%0.281CS..Hα-helixtrans-53.6-50.9175.9-70.3-172.9000113.6I532 L534 L551 L552 E557 M558 F559 L561I532-L555 HydrophobicContact CD1-CD2 4.04Å; L534-L555 HydrophobicContact CD1-CD1 4.26Å; L551-L555 HydrophobicContact CD1-CD2 4.06Å; L551-L555 WeakPolarHBondContact O-CG 3.34Å; L551-L555 PolarHBondContact O-N 2.8Å; L552-L555 HydrophobicContact CD2-CD1 4.16Å; L555-E557 VanDerWaalsContact C-N 3.33Å; L555-E557 PolarHBondContact O-N 2.87Å; L555-M558 PolarHBondContact O-N 2.83Å; L555-F559 HydrophobicContact CD2-CD2 4.06Å; L555-F559 HydrophobicContact CD2-CE2 4.04Å; L555-F559 WeakPolarHBondContact O-CD2 3.38Å; L555-F559 PolarHBondContact O-N 2.73Å; L555-L561 HydrophobicContact CB-CD1 4.16Å
556P89.9Confident87.2Confident70 Ų7055 Ų5546%0.45527%0.272SS..Hα-helixtrans-70.6-21.3176.527.8-36.3000114.7L552 Q553 M558 L587L552-P556 VanDerWaalsContact O-CD 3.28Å; L552-P556 WeakPolarHBondContact O-CD 3.43Å; Q553-P556 WeakPolarHBondContact O-CD 3.47Å; Q553-P556 WeakPolarHBondContact O-CG 3.29Å; P556-M558 VanDerWaalsContact C-N 3.26Å; P556-L587 HydrophobicContact CB-CD2 3.88Å; P556-L587 HydrophobicContact CG-CD2 3.88Å
557E89.3Confident87.8Confident136 Ų13653 Ų5364%0.63626%0.261SS*.Hα-helixtrans-67.3-31.6172.5-57175.8165.400111.5R554 L555R554-E557 WeakPolarHBondContact CG-OE2 3.25Å; R554-E557 IonicContact NE-OE2 3.28Å; R554-E557 PolarHBondContact NE-OE2 3.17Å; R554-E557 WeakPolarHBondContact O-CB 3.28Å; R554-E557 PolarHBondContact O-N 3.07Å; L555-E557 VanDerWaalsContact C-N 3.33Å; L555-E557 PolarHBondContact O-N 2.87Å
558M85.6Confident88.3Confident49 Ų4951.1 Ų51.124%0.24125%0.251CS..Hα-helixtrans-103.3-34.9-170.5-68.1-167.568.700114L517 A526 R554 L555 P556L517-M558 HydrophobicContact CD1-SD 4Å; L517-M558 HydrophobicContact CD2-CE 3.51Å; L517-M558 HydrophobicContact CD2-SD 3.8Å; L517-M558 HydrophobicContact CG-SD 4.41Å; A526-M558 WeakPolarHBondContact CB-O 3.46Å; R554-M558 WeakPolarHBondContact O-CG 3.38Å; R554-M558 PolarHBondContact O-N 3.08Å; L555-M558 PolarHBondContact O-N 2.83Å; P556-M558 VanDerWaalsContact C-N 3.26Å
559F89.4Confident88.6Confident10 Ų1051.1 Ų51.14%0.04425%0.251CS..  trans-124136.9-167.5-55.7-74.7000112.5I451 F524 A526 V529 I532 L555 L561I451-F559 HydrophobicContact CD1-CE1 4.36Å; I451-F559 HydrophobicContact CD1-CZ 3.81Å; F524-F559 HydrophobicContact CE2-CE1 4.09Å; F524-F559 AromaticContact CE2-CZ 3.95Å; F524-F559 HydrophobicContact CE2-CZ 3.95Å; F524-F559 HydrophobicContact CZ-CZ 4.27Å; A526-F559 HydrophobicContact CB-CD1 4.08Å; A526-F559 HydrophobicContact CB-CE1 3.9Å; V529-F559 HydrophobicContact CB-CD1 4.15Å; V529-F559 HydrophobicContact CB-CE1 3.83Å; V529-F559 HydrophobicContact CG1-CD1 4.29Å; V529-F559 HydrophobicContact CG1-CE1 4.02Å; V529-F559 HydrophobicContact CG2-CE1 3.87Å; I532-F559 HydrophobicContact CD1-CB 4.26Å; I532-F559 HydrophobicContact CD1-CD1 4.12Å; I532-F559 HydrophobicContact CD1-CD2 3.41Å; I532-F559 VanDerWaalsContact CD1-CD2 3.41Å; I532-F559 HydrophobicContact CD1-CE1 4.34Å; I532-F559 HydrophobicContact CD1-CE2 3.67Å; I532-F559 HydrophobicContact CD1-CG 3.66Å; I532-F559 HydrophobicContact CD1-CZ 4.14Å; L555-F559 HydrophobicContact CD2-CD2 4.06Å; L555-F559 HydrophobicContact CD2-CE2 4.04Å; L555-F559 WeakPolarHBondContact O-CD2 3.38Å; L555-F559 PolarHBondContact O-N 2.73Å; F559-L561 VanDerWaalsContact C-N 3.34Å; F559-L561 HydrophobicContact CB-CD2 3.84Å; F559-L561 HydrophobicContact CB-CG 4.13Å; F559-L561 PolarHBondContact O-N 3.48Å
560Q88.3Confident88.9Confident90 Ų9048.9 Ų48.942%0.42124%0.24SC..  trans-77.984.6171.7-70.5175.9700109.2T562 K565 C566Q560-T562 PolarHBondContact O-N 3.45Å; Q560-K565 HydrophobicContact CB-CB 3.99Å; Q560-K565 HydrophobicContact CB-CG 4.27Å; Q560-K565 WeakPolarHBondContact O-CB 3.03Å; Q560-K565 VanDerWaalsContact OE1-CE 3.3Å; Q560-C566 WeakPolarHBondContact O-CB 3.44Å; Q560-C566 PolarHBondContact O-N 3.1Å; Q560-C566 VanDerWaalsContact O-N 3.13Å
561L87.4Confident89.2Confident16 Ų1644.1 Ų44.18%0.08422%0.219CC..  trans-7769.5-176.9-59.8177.6000111.7I532 L555 F559 C566 L568 L587I532-L561 HydrophobicContact CD1-CD2 4.33Å; L555-L561 HydrophobicContact CB-CD1 4.16Å; F559-L561 VanDerWaalsContact C-N 3.34Å; F559-L561 HydrophobicContact CB-CD2 3.84Å; F559-L561 HydrophobicContact CB-CG 4.13Å; F559-L561 PolarHBondContact O-N 3.48Å; L561-C566 HydrophobicContact CD2-CB 4.09Å; L561-L568 HydrophobicContact CD1-CD2 4.39Å; L561-L587 HydrophobicContact CD1-CB 3.88Å; L561-L587 HydrophobicContact CD1-CD1 4.14Å; L561-L587 HydrophobicContact CD1-CD2 4.24Å; L561-L587 HydrophobicContact CD1-CG 4.31Å
562T79.8Confident89.2Confident66 Ų6644 Ų4441%0.40522%0.218SC..SBendtrans-134.8159176.168.60000110.5Q560 N564 K565 C566Q560-T562 PolarHBondContact O-N 3.45Å; T562-N564 PolarHBondContact O-N 2.7Å; T562-K565 PolarHBondContact O-N 3.44Å; T562-K565 WeakPolarHBondContact OG1-CB 3.32Å; T562-K565 WeakPolarHBondContact OG1-CG 3.49Å; T562-C566 PolarHBondContact O-N 2.7Å
563Q71.1Confident89.1Confident69 Ų6947.1 Ų47.132%0.32223%0.23SC..THydrogen-bonded Turntrans-48.4139.6170.2-160.2-171.3-32.400110.5K410 K565 D590K410-Q563 HydrophobicContact CG-CG 4.16Å; Q563-K565 PolarHBondContact O-N 3.36Å; Q563-K565 VanDerWaalsContact O-N 3.13Å; Q563-D590 HydrophobicContact CB-CB 4.47Å; Q563-D590 WeakPolarHBondContact CB-OD2 3.44Å; Q563-D590 WeakPolarHBondContact CG-OD2 3.46Å
564N74.9Confident89.1Confident135 Ų13543.5 Ų43.572%0.72221%0.213SC*.THydrogen-bonded Turntrans63.15.9-177.7-49.7-22.2000116.1T562T562-N564 PolarHBondContact O-N 2.7Å
565K86.4Confident89.2Confident94 Ų9441 Ų4141%0.40920%0.204SC..THydrogen-bonded Turntrans-112.7-76.4174.5-73.2-69.7-166.8148.60111.6K530 Q560 T562 Q563K530-K565 WeakPolarHBondContact CD-O 3.4Å; Q560-K565 HydrophobicContact CB-CB 3.99Å; Q560-K565 HydrophobicContact CB-CG 4.27Å; Q560-K565 WeakPolarHBondContact O-CB 3.03Å; Q560-K565 VanDerWaalsContact OE1-CE 3.3Å; T562-K565 PolarHBondContact O-N 3.44Å; T562-K565 WeakPolarHBondContact OG1-CB 3.32Å; T562-K565 WeakPolarHBondContact OG1-CG 3.49Å; Q563-K565 PolarHBondContact O-N 3.36Å; Q563-K565 VanDerWaalsContact O-N 3.13Å
566C91.9Very high89.1Confident3 Ų341.8 Ų41.82%0.0221%0.208CC..  trans-136.6113.6172.8-178.70000109.6K530 Q560 L561 T562K530-C566 WeakPolarHBondContact O-CA 3.37Å; Q560-C566 WeakPolarHBondContact O-CB 3.44Å; Q560-C566 PolarHBondContact O-N 3.1Å; Q560-C566 VanDerWaalsContact O-N 3.13Å; L561-C566 HydrophobicContact CD2-CB 4.09Å; T562-C566 PolarHBondContact O-N 2.7Å
567Q93.7Very high89Confident11 Ų1139.5 Ų39.55%0.05119%0.192CC..EExtended strand (participates in β ladder)trans-74.6133178.6-173.9176.913.600110.2V406 G409 K410 K530 C531 I532 L569V406-Q567 PolarHBondContact O-NE2 3.18Å; G409-Q567 WeakPolarHBondContact O-CG 3.48Å; K410-Q567 PolarHBondContact O-NE2 3.3Å; K530-Q567 PolarHBondContact O-N 2.9Å; C531-Q567 CarbonylContact C-O 3.6Å; C531-Q567 WeakPolarHBondContact CA-O 3.33Å; I532-Q567 PolarHBondContact N-O 2.83Å; Q567-L569 HydrophobicContact CG-CD2 3.92Å; Q567-L569 HydrophobicContact CG-CG 4.33Å
568L96.1Very high88.8Confident0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-105128173.4-176.755.3000110.4S411 V412 I532 L534 L561 V570 L587 M588S411-L568 WeakPolarHBondContact CA-O 3.27Å; S411-L568 VanDerWaalsContact CB-O 3.25Å; S411-L568 WeakPolarHBondContact CB-O 3.45Å; V412-L568 PolarHBondContact N-O 3.14Å; V412-L568 VanDerWaalsContact N-O 3.16Å; I532-L568 HydrophobicContact CB-CD1 4.12Å; I532-L568 HydrophobicContact CG2-CD1 4.02Å; L534-L568 HydrophobicContact CD1-CD1 4.25Å; L534-L568 HydrophobicContact CG-CD1 4.3Å; L561-L568 HydrophobicContact CD1-CD2 4.39Å; L568-V570 HydrophobicContact CD1-CG2 4.15Å; L568-V570 HydrophobicContact CD2-CG2 4.41Å; L568-V570 HydrophobicContact CG-CG2 3.94Å; L568-L587 HydrophobicContact CD2-CB 3.72Å; L568-L587 HydrophobicContact CD2-CD1 4.27Å; L568-M588 HydrophobicContact CB-CE 4.45Å; L568-M588 HydrophobicContact CB-CG 4.2Å; L568-M588 HydrophobicContact CD2-CG 3.71Å; L568-M588 HydrophobicContact CD2-SD 4.23Å; L568-M588 HydrophobicContact CG-CE 4.29Å; L568-M588 HydrophobicContact CG-CG 4.12Å; L568-M588 HydrophobicContact CG-SD 4.38Å; L568-M588 WeakPolarHBondContact O-CE 3.36Å
569L97.3Very high88.9Confident0 Ų033 Ų330%016%0.163CC..EExtended strand (participates in β ladder)trans-121.2123.2-179.2-53.4171.5000108.4V406 V412 Y426 V430 C531 I532 A533 L534 Q567V406-L569 HydrophobicContact CG1-CD2 4.01Å; V406-L569 HydrophobicContact CG2-CD2 4.18Å; V412-L569 HydrophobicContact CG1-CD2 3.73Å; Y426-L569 HydrophobicContact CD2-CB 4.27Å; Y426-L569 HydrophobicContact CD2-CD1 3.75Å; Y426-L569 HydrophobicContact CG-CB 4.3Å; Y426-L569 HydrophobicContact CG-CD1 4.01Å; V430-L569 HydrophobicContact CG2-CD1 3.34Å; C531-L569 WeakPolarHBondContact SG-CD1 3.33Å; I532-L569 PolarHBondContact O-N 2.81Å; A533-L569 CarbonylContact C-O 3.5Å; A533-L569 WeakPolarHBondContact CA-O 3.34Å; A533-L569 HydrophobicContact CB-CB 4.25Å; A533-L569 HydrophobicContact CB-CD1 4.43Å; L534-L569 PolarHBondContact N-O 3.27Å; Q567-L569 HydrophobicContact CG-CD2 3.92Å; Q567-L569 HydrophobicContact CG-CG 4.33Å
570V97.1Very high89Confident0 Ų032.5 Ų32.50%016%0.161CC..EExtended strand (participates in β ladder)trans-130.4136.6-175.5-173.40000110.2V412 L413 V414 L534 L537 L568 I584 M588V412-V570 PolarHBondContact O-N 3.17Å; L413-V570 WeakPolarHBondContact CA-O 3.49Å; L413-V570 HydrophobicContact CD1-CB 3.75Å; L413-V570 HydrophobicContact CD1-CG1 3.61Å; V414-V570 PolarHBondContact N-O 2.96Å; L534-V570 HydrophobicContact CB-CG2 4.44Å; L534-V570 HydrophobicContact CD1-CG2 4.39Å; L537-V570 HydrophobicContact CB-CG1 4.13Å; L537-V570 HydrophobicContact CD2-CG1 3.8Å; L568-V570 HydrophobicContact CD1-CG2 4.15Å; L568-V570 HydrophobicContact CD2-CG2 4.41Å; L568-V570 HydrophobicContact CG-CG2 3.94Å; V570-I584 HydrophobicContact CG1-CG2 4.39Å; V570-I584 HydrophobicContact CG2-CG2 4.04Å; V570-M588 HydrophobicContact CB-CE 4.45Å; V570-M588 HydrophobicContact CG2-CE 3.97Å; V570-M588 HydrophobicContact CG2-SD 4.02Å
571S96.4Very high88.9Confident0 Ų029.3 Ų29.30%015%0.147CC..EExtended strand (participates in β ladder)trans-128.8138.6177.9147.70000110V414 K422 L534 D535 N536 L537V414-S571 CarbonylContact O-C 3.46Å; V414-S571 WeakPolarHBondContact O-CA 3.45Å; K422-S571 WeakPolarHBondContact CB-OG 3.29Å; K422-S571 WeakPolarHBondContact CD-OG 3.18Å; K422-S571 WeakPolarHBondContact CE-OG 3.32Å; L534-S571 PolarHBondContact O-N 3.38Å; D535-S571 WeakPolarHBondContact OD1-CB 3.17Å; D535-S571 PolarHBondContact OD1-OG 3.38Å; N536-S571 CarbonylContact C-O 3.58Å; N536-S571 WeakPolarHBondContact CA-O 3.38Å; N536-S571 PolarHBondContact N-O 3.07Å; N536-S571 PolarHBondContact N-OG 3.22Å; L537-S571 PolarHBondContact N-O 2.83Å
572G94.3Very high88.9Confident0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-144.2161.2-174.300000113.4V414 G416 K422 N538V414-G572 PolarHBondContact O-N 2.56Å; G416-G572 PolarHBondContact N-O 3.3Å; G416-G572 VanDerWaalsContact N-O 3.16Å; K422-G572 WeakPolarHBondContact CD-O 3.45Å; K422-G572 WeakPolarHBondContact CE-O 3.07Å; K422-G572 PolarHBondContact NZ-O 3.27Å; N538-G572 WeakPolarHBondContact OD1-CA 3.48Å
573R90.8Very high89.3Confident72 Ų7234.1 Ų34.127%0.27217%0.165SC..SBendtrans-95.3-31.8168.4-57.5-169.6-161.9-161.78.2112.7G416 N538 D539G416-R573 WeakPolarHBondContact O-CA 3.39Å; N538-R573 PolarHBondContact OD1-N 2.87Å; D539-R573 IonicContact OD1-CZ 3.29Å; D539-R573 IonicContact OD1-NE 3.26Å; D539-R573 PolarHBondContact OD1-NE 2.97Å; D539-R573 IonicContact OD1-NH2 3.75Å; D539-R573 PolarHBondContact OD1-NH2 2.91Å; D539-R573 IonicContact OD2-CZ 2.74Å; D539-R573 VanDerWaalsContact OD2-CZ 3.23Å; D539-R573 IonicContact OD2-NE 3.89Å; D539-R573 PolarHBondContact OD2-NE 3.39Å; D539-R573 IonicContact OD2-NH2 2.87Å; D539-R573 PolarHBondContact OD2-NH2 2.86Å
574I91.3Very high90.4Very high35 Ų3530.9 Ų30.918%0.17915%0.149CC..SBendtrans-136.6135.7-164.5-60.6166.2000109.2N538 H576 E600 K760 H761N538-I574 PolarHBondContact ND2-O 3.09Å; N538-I574 PolarHBondContact OD1-N 3.38Å; N538-I574 VanDerWaalsContact OD1-N 3.08Å; N538-I574 PolarHBondContact OD1-O 3.31Å; I574-H576 VanDerWaalsContact C-N 3.33Å; I574-H576 PolarHBondContact O-N 3.01Å; I574-E600 VanDerWaalsContact CA-OE2 3.28Å; I574-E600 WeakPolarHBondContact CA-OE2 3.47Å; I574-K760 HydrophobicContact CD1-CB 4.44Å; I574-K760 HydrophobicContact CD1-CD 3.96Å; I574-K760 HydrophobicContact CD1-CG 4.32Å; I574-H761 WeakPolarHBondContact CG2-CE1 3.25Å
575W92Very high91.2Very high1 Ų125.3 Ų25.30%0.00412%0.12CC..  trans-77.977.9170.8-173.2-93.7000110.9L413 V415 T577 M580 V581 L585 V593 F595 E600 Y604 H761L413-W575 HydrophobicContact CD2-CH2 4.12Å; L413-W575 HydrophobicContact CD2-CZ3 3.65Å; L413-W575 HydrophobicContact CG-CZ3 4.49Å; V415-W575 HydrophobicContact CG2-CE3 4.16Å; W575-T577 VanDerWaalsContact CD1-OG1 3.27Å; W575-T577 PolarHBondContact NE1-OG1 3.49Å; W575-T577 PolarHBondContact O-N 2.98Å; W575-M580 HydrophobicContact CD2-CB 4.3Å; W575-M580 HydrophobicContact CD2-CG 4.1Å; W575-M580 HydrophobicContact CE3-CB 4.28Å; W575-M580 HydrophobicContact CE3-CG 3.94Å; W575-M580 HydrophobicContact CH2-CB 3.57Å; W575-M580 HydrophobicContact CH2-CG 4.13Å; W575-M580 HydrophobicContact CZ2-CB 3.55Å; W575-M580 HydrophobicContact CZ2-CG 4.25Å; W575-M580 HydrophobicContact CZ3-CB 3.95Å; W575-M580 HydrophobicContact CZ3-CG 3.98Å; W575-V581 HydrophobicContact CZ2-CG2 4.21Å; W575-L585 HydrophobicContact CH2-CD1 4.11Å; W575-L585 HydrophobicContact CZ2-CD1 4.48Å; W575-V593 HydrophobicContact CZ3-CG1 3.97Å; W575-F595 HydrophobicContact CB-CE1 4.16Å; W575-F595 AromaticContact CD2-CE1 3.88Å; W575-F595 HydrophobicContact CD2-CE1 3.88Å; W575-F595 AromaticContact CD2-CZ 3.91Å; W575-F595 HydrophobicContact CD2-CZ 3.91Å; W575-F595 AromaticContact CE3-CE1 3.45Å; W575-F595 HydrophobicContact CE3-CE1 3.45Å; W575-F595 VanDerWaalsContact CE3-CE1 3.45Å; W575-F595 AromaticContact CE3-CZ 3.39Å; W575-F595 HydrophobicContact CE3-CZ 3.39Å; W575-F595 HydrophobicContact CG-CE1 4.15Å; W575-F595 HydrophobicContact CH2-CZ 4.45Å; W575-F595 HydrophobicContact CZ3-CE1 4.19Å; W575-F595 AromaticContact CZ3-CZ 3.69Å; W575-F595 HydrophobicContact CZ3-CZ 3.69Å; W575-E600 PolarHBondContact N-OE2 2.68Å; W575-Y604 HydrophobicContact CD2-CD2 4.4Å; W575-Y604 AromaticContact CE2-CD2 3.77Å; W575-Y604 AromaticContact CH2-CD2 3.91Å; W575-Y604 HydrophobicContact CH2-CD2 3.91Å; W575-Y604 HydrophobicContact CH2-CE2 4.31Å; W575-Y604 AromaticContact CZ2-CD2 3.53Å; W575-Y604 HydrophobicContact CZ2-CD2 3.53Å; W575-Y604 HydrophobicContact CZ2-CE2 4.19Å; W575-Y604 HydrophobicContact CZ2-CG 4.49Å; W575-Y604 HydrophobicContact CZ3-CD2 4.48Å; W575-H761 PolarHBondContact O-CE1 3.28Å; W575-H761 PolarHBondContact O-ND1 2.81Å
576H88.3Confident91.3Very high21 Ų2124.6 Ų24.610%0.09712%0.124CC..  trans-76.197.5172.2-177.4-85.5000109.9I574 D578 L579 M580 R1020I574-H576 VanDerWaalsContact C-N 3.33Å; I574-H576 PolarHBondContact O-N 3.01Å; H576-D578 WeakPolarHBondContact NE2-CB 3.22Å; H576-D578 IonicContact NE2-OD2 2.76Å; H576-D578 PolarHBondContact NE2-OD2 3.08Å; H576-D578 PolarHBondContact O-N 3.35Å; H576-L579 HydrophobicContact CB-CB 4.26Å; H576-L579 WeakPolarHBondContact CE1-CA 3.31Å; H576-L579 WeakPolarHBondContact CE1-CB 3.36Å; H576-L579 PolarHBondContact CE1-N 3.17Å; H576-L579 VanDerWaalsContact ND1-CB 3.28Å; H576-L579 WeakPolarHBondContact ND1-CB 3.1Å; H576-L579 PolarHBondContact ND1-N 2.98Å; H576-L579 WeakPolarHBondContact O-CB 3.37Å; H576-L579 PolarHBondContact O-N 2.75Å; H576-L579 VanDerWaalsContact O-N 3.09Å; H576-M580 WeakPolarHBondContact O-CG 3.29Å; H576-M580 PolarHBondContact O-N 3.09Å; H576-R1020 PolarHBondContact CD2-NH1 3.01Å; H576-R1020 PolarHBondContact NE2-NH2 2.83Å
577T87.3Confident91.2Very high22 Ų2225.4 Ų25.414%0.13513%0.129CC..Hα-helixtrans-53.4-49.7-164.6-55.10000114.6V342 W575 L579 M580 V581V342-T577 HydrophobicContact CB-CG2 3.71Å; V342-T577 HydrophobicContact CG1-CG2 3.84Å; V342-T577 HydrophobicContact CG2-CG2 3.71Å; W575-T577 VanDerWaalsContact CD1-OG1 3.27Å; W575-T577 PolarHBondContact NE1-OG1 3.49Å; W575-T577 PolarHBondContact O-N 2.98Å; T577-L579 VanDerWaalsContact C-N 3.29Å; T577-L579 PolarHBondContact O-N 2.67Å; T577-M580 PolarHBondContact O-N 3Å; T577-V581 HydrophobicContact CG2-CG2 3.91Å; T577-V581 WeakPolarHBondContact O-CB 3.45Å; T577-V581 WeakPolarHBondContact O-CG2 3.44Å; T577-V581 PolarHBondContact O-N 3.21Å
578D84.9Confident91.1Very high41 Ų4125 Ų2522%0.21913%0.127CC..Hα-helixtrans-60-41.9-179-32.3-35.3000111.6H576 Q582 K762H576-D578 WeakPolarHBondContact NE2-CB 3.22Å; H576-D578 IonicContact NE2-OD2 2.76Å; H576-D578 PolarHBondContact NE2-OD2 3.08Å; H576-D578 PolarHBondContact O-N 3.35Å; D578-Q582 WeakPolarHBondContact O-CA 3.43Å; D578-Q582 WeakPolarHBondContact O-CB 3.14Å; D578-Q582 WeakPolarHBondContact O-CG 3.46Å; D578-Q582 PolarHBondContact O-N 2.89Å; D578-K762 WeakPolarHBondContact OD2-CE 3.29Å; D578-K762 IonicContact OD2-NZ 3.54Å; D578-K762 PolarHBondContact OD2-NZ 3.11Å
579L88.9Confident90.5Very high7 Ų728.2 Ų28.24%0.03715%0.147CC..Iπ-helixtrans-63.9-49.2-179.6175.469.3000109.9L537 V541 M549 L552 H576 T577 H583 I584L537-L579 HydrophobicContact CD2-CD2 4Å; L537-L579 HydrophobicContact CD2-CG 4.38Å; L537-L579 HydrophobicContact CG-CD2 4.2Å; V541-L579 HydrophobicContact CG2-CD1 4.33Å; V541-L579 HydrophobicContact CG2-CD2 3.88Å; M549-L579 HydrophobicContact CE-CD1 4.37Å; M549-L579 HydrophobicContact SD-CD1 3.91Å; L552-L579 HydrophobicContact CD1-CD1 3.7Å; H576-L579 HydrophobicContact CB-CB 4.26Å; H576-L579 WeakPolarHBondContact CE1-CA 3.31Å; H576-L579 WeakPolarHBondContact CE1-CB 3.36Å; H576-L579 PolarHBondContact CE1-N 3.17Å; H576-L579 VanDerWaalsContact ND1-CB 3.28Å; H576-L579 WeakPolarHBondContact ND1-CB 3.1Å; H576-L579 PolarHBondContact ND1-N 2.98Å; H576-L579 WeakPolarHBondContact O-CB 3.37Å; H576-L579 PolarHBondContact O-N 2.75Å; H576-L579 VanDerWaalsContact O-N 3.09Å; T577-L579 VanDerWaalsContact C-N 3.29Å; T577-L579 PolarHBondContact O-N 2.67Å; L579-H583 HydrophobicContact CD1-CB 4.5Å; L579-H583 WeakPolarHBondContact O-CB 3.45Å; L579-H583 PolarHBondContact O-N 2.91Å; L579-H583 VanDerWaalsContact O-N 3.16Å; L579-I584 HydrophobicContact CG-CG1 4.46Å; L579-I584 PolarHBondContact O-N 2.98Å
580M90.8Very high90Very high0 Ų028.5 Ų28.50%015%0.149CC..Iπ-helixtrans-68.7-44.8-176.8-61.1-57.7177.600111.5L413 L537 W575 H576 T577 I584 L585L413-M580 HydrophobicContact CD1-CE 4.42Å; L413-M580 HydrophobicContact CD1-SD 4.05Å; L413-M580 HydrophobicContact CD2-SD 4.1Å; L537-M580 HydrophobicContact CD2-CE 4.44Å; W575-M580 HydrophobicContact CD2-CB 4.3Å; W575-M580 HydrophobicContact CD2-CG 4.1Å; W575-M580 HydrophobicContact CE3-CB 4.28Å; W575-M580 HydrophobicContact CE3-CG 3.94Å; W575-M580 HydrophobicContact CH2-CB 3.57Å; W575-M580 HydrophobicContact CH2-CG 4.13Å; W575-M580 HydrophobicContact CZ2-CB 3.55Å; W575-M580 HydrophobicContact CZ2-CG 4.25Å; W575-M580 HydrophobicContact CZ3-CB 3.95Å; W575-M580 HydrophobicContact CZ3-CG 3.98Å; H576-M580 WeakPolarHBondContact O-CG 3.29Å; H576-M580 PolarHBondContact O-N 3.09Å; T577-M580 PolarHBondContact O-N 3Å; M580-I584 PolarHBondContact O-N 3.38Å; M580-I584 HydrophobicContact SD-CB 4.39Å; M580-I584 HydrophobicContact SD-CG1 4.22Å; M580-I584 HydrophobicContact SD-CG2 4.5Å; M580-L585 WeakPolarHBondContact O-CB 3.48Å; M580-L585 WeakPolarHBondContact O-CG 3.41Å; M580-L585 PolarHBondContact O-N 2.89Å
581V87Confident89.8Confident22 Ų2228.7 Ų28.713%0.13315%0.15CC..Iπ-helixtrans-79.7-38.9-174.3179.10000112.8P344 F345 W575 T577 L585 P586P344-V581 HydrophobicContact CB-CG2 4.26Å; F345-V581 HydrophobicContact CE2-CG1 4.43Å; W575-V581 HydrophobicContact CZ2-CG2 4.21Å; T577-V581 HydrophobicContact CG2-CG2 3.91Å; T577-V581 WeakPolarHBondContact O-CB 3.45Å; T577-V581 WeakPolarHBondContact O-CG2 3.44Å; T577-V581 PolarHBondContact O-N 3.21Å; V581-L585 HydrophobicContact CG2-CD1 4.47Å; V581-P586 WeakPolarHBondContact O-CD 3.5Å; V581-P586 WeakPolarHBondContact O-CG 3.4Å
582Q86.6Confident89.7Confident126 Ų12628.7 Ų28.759%0.58915%0.15SC*.Iπ-helixtrans-91.4-25.7-174.5-54.1176.62.200113.5D578D578-Q582 WeakPolarHBondContact O-CA 3.43Å; D578-Q582 WeakPolarHBondContact O-CB 3.14Å; D578-Q582 WeakPolarHBondContact O-CG 3.46Å; D578-Q582 PolarHBondContact O-N 2.89Å
583H89.3Confident89.7Confident58 Ų5828.7 Ų28.727%0.26915%0.15SC..Iπ-helixtrans-126.1-18.5-170.7-57.9-70.1000115.8M549 L552 L579 L587M549-H583 HydrophobicContact CE-CB 4.26Å; M549-H583 WeakPolarHBondContact CE-CD2 3.03Å; M549-H583 WeakPolarHBondContact CE-NE2 3.45Å; L552-H583 HydrophobicContact CD1-CB 4.28Å; L579-H583 HydrophobicContact CD1-CB 4.5Å; L579-H583 WeakPolarHBondContact O-CB 3.45Å; L579-H583 PolarHBondContact O-N 2.91Å; L579-H583 VanDerWaalsContact O-N 3.16Å; H583-L587 VanDerWaalsContact O-CD1 3.3Å; H583-L587 WeakPolarHBondContact O-CD1 3.41Å
584I93.1Very high90Very high0 Ų025.3 Ų25.30%014%0.137CC..Iπ-helixtrans-108.3-58.9-177.9-59.9-62.1000112L413 L537 L552 V570 L579 M580 P586 L587 M588L413-I584 HydrophobicContact CD2-CG2 4.41Å; L537-I584 HydrophobicContact CD2-CD1 3.55Å; L537-I584 HydrophobicContact CD2-CG1 3.74Å; L552-I584 HydrophobicContact CD1-CD1 3.85Å; L552-I584 HydrophobicContact CD2-CD1 3.54Å; L552-I584 HydrophobicContact CG-CD1 4.34Å; V570-I584 HydrophobicContact CG1-CG2 4.39Å; V570-I584 HydrophobicContact CG2-CG2 4.04Å; L579-I584 HydrophobicContact CG-CG1 4.46Å; L579-I584 PolarHBondContact O-N 2.98Å; M580-I584 PolarHBondContact O-N 3.38Å; M580-I584 HydrophobicContact SD-CB 4.39Å; M580-I584 HydrophobicContact SD-CG1 4.22Å; M580-I584 HydrophobicContact SD-CG2 4.5Å; I584-P586 VanDerWaalsContact C-CD 3.41Å; I584-P586 VanDerWaalsContact C-N 3.34Å; I584-L587 WeakPolarHBondContact O-CA 3.38Å; I584-L587 WeakPolarHBondContact O-CB 3.49Å; I584-L587 PolarHBondContact O-N 3.18Å; I584-M588 HydrophobicContact CG2-SD 3.45Å; I584-M588 WeakPolarHBondContact CG2-SD 3.29Å; I584-M588 WeakPolarHBondContact O-CG 3.38Å
585L91.1Very high90.2Very high19 Ų1923.6 Ų23.610%0.09913%0.129CC..G310 helixtrans-56.5-35.4-179.2-69.7178.7000114.7F345 L413 W575 M580 V581 L587 M588 V591 V593F345-L585 HydrophobicContact CD2-CD1 4.29Å; F345-L585 HydrophobicContact CE2-CB 4.09Å; F345-L585 HydrophobicContact CE2-CD1 3.95Å; L413-L585 HydrophobicContact CD2-CD2 4.1Å; W575-L585 HydrophobicContact CH2-CD1 4.11Å; W575-L585 HydrophobicContact CZ2-CD1 4.48Å; M580-L585 WeakPolarHBondContact O-CB 3.48Å; M580-L585 WeakPolarHBondContact O-CG 3.41Å; M580-L585 PolarHBondContact O-N 2.89Å; V581-L585 HydrophobicContact CG2-CD1 4.47Å; L585-L587 PolarHBondContact O-N 2.83Å; L585-M588 PolarHBondContact O-N 3.43Å; L585-M588 VanDerWaalsContact O-N 3.08Å; L585-V591 HydrophobicContact CD2-CG1 4.14Å; L585-V593 HydrophobicContact CD2-CG2 4.02Å
586P89.8Confident90.2Very high78 Ų7825.9 Ų25.951%0.50614%0.141SC..G310 helixtrans-61.9-21.1174.2-2536.8000114.1V581 I584V581-P586 WeakPolarHBondContact O-CD 3.5Å; V581-P586 WeakPolarHBondContact O-CG 3.4Å; I584-P586 VanDerWaalsContact C-CD 3.41Å; I584-P586 VanDerWaalsContact C-N 3.34Å
587L90.4Very high90.4Very high21 Ų2125.1 Ų25.111%0.1114%0.138CC..G310 helixtrans-913.1177.8-51-176.6000113.1P556 L561 L568 H583 I584 L585P556-L587 HydrophobicContact CB-CD2 3.88Å; P556-L587 HydrophobicContact CG-CD2 3.88Å; L561-L587 HydrophobicContact CD1-CB 3.88Å; L561-L587 HydrophobicContact CD1-CD1 4.14Å; L561-L587 HydrophobicContact CD1-CD2 4.24Å; L561-L587 HydrophobicContact CD1-CG 4.31Å; L568-L587 HydrophobicContact CD2-CB 3.72Å; L568-L587 HydrophobicContact CD2-CD1 4.27Å; H583-L587 VanDerWaalsContact O-CD1 3.3Å; H583-L587 WeakPolarHBondContact O-CD1 3.41Å; I584-L587 WeakPolarHBondContact O-CA 3.38Å; I584-L587 WeakPolarHBondContact O-CB 3.49Å; I584-L587 PolarHBondContact O-N 3.18Å; L585-L587 PolarHBondContact O-N 2.83Å
588M91.1Very high90.7Very high2 Ų224.2 Ų24.21%0.0113%0.133CC..  trans-136.267.6-168.9-53.3176.682.800111.3V412 L413 L568 V570 I584 L585 D590 V591V412-M588 VanDerWaalsContact O-CE 3.29Å; V412-M588 WeakPolarHBondContact O-CE 3.47Å; L413-M588 HydrophobicContact CB-CE 4.23Å; L568-M588 HydrophobicContact CB-CE 4.45Å; L568-M588 HydrophobicContact CB-CG 4.2Å; L568-M588 HydrophobicContact CD2-CG 3.71Å; L568-M588 HydrophobicContact CD2-SD 4.23Å; L568-M588 HydrophobicContact CG-CE 4.29Å; L568-M588 HydrophobicContact CG-CG 4.12Å; L568-M588 HydrophobicContact CG-SD 4.38Å; L568-M588 WeakPolarHBondContact O-CE 3.36Å; V570-M588 HydrophobicContact CB-CE 4.45Å; V570-M588 HydrophobicContact CG2-CE 3.97Å; V570-M588 HydrophobicContact CG2-SD 4.02Å; I584-M588 HydrophobicContact CG2-SD 3.45Å; I584-M588 WeakPolarHBondContact CG2-SD 3.29Å; I584-M588 WeakPolarHBondContact O-CG 3.38Å; L585-M588 PolarHBondContact O-N 3.43Å; L585-M588 VanDerWaalsContact O-N 3.08Å; M588-D590 VanDerWaalsContact C-N 3.26Å; M588-D590 PolarHBondContact O-N 2.64Å; M588-V591 HydrophobicContact CB-CB 3.84Å; M588-V591 HydrophobicContact CB-CG2 4.15Å; M588-V591 HydrophobicContact CE-CG2 3.84Å; M588-V591 WeakPolarHBondContact O-CB 3.33Å; M588-V591 WeakPolarHBondContact O-CG1 3.26Å; M588-V591 PolarHBondContact O-N 2.89Å; M588-V591 HydrophobicContact SD-CG2 4.3Å
589P83.3Confident91.2Very high67 Ų6722.5 Ų22.544%0.43512%0.123SC..THydrogen-bonded Turntrans-63.2-28.3-170.524.8-34.8000114.4R362R362-P589 WeakPolarHBondContact CD-O 3.45Å; R362-P589 PolarHBondContact NE-O 2.65Å
590D86.1Confident91.4Very high6 Ų622.7 Ų22.73%0.03212%0.124CC..THydrogen-bonded Turntrans-1026.3-173.563.7-19.3000114.8H363 H405 K410 S411 Q563 M588H363-D590 PolarHBondContact ND1-O 3.13Å; H405-D590 PolarHBondContact NE2-O 2.9Å; K410-D590 WeakPolarHBondContact CA-OD2 3.31Å; K410-D590 WeakPolarHBondContact CB-OD2 3.44Å; S411-D590 WeakPolarHBondContact CB-OD1 3.15Å; S411-D590 PolarHBondContact N-OD1 2.86Å; S411-D590 PolarHBondContact N-OD2 3.41Å; S411-D590 PolarHBondContact OG-OD1 3.23Å; Q563-D590 HydrophobicContact CB-CB 4.47Å; Q563-D590 WeakPolarHBondContact CB-OD2 3.44Å; Q563-D590 WeakPolarHBondContact CG-OD2 3.46Å; M588-D590 VanDerWaalsContact C-N 3.26Å; M588-D590 PolarHBondContact O-N 2.64Å
591V92.3Very high91.5Very high4 Ų422.7 Ų22.72%0.02412%0.124CC..PPolyproline II helixtrans-53.7145.5-161.568.90000116.8W360 S361 S411 L413 L585 M588 V593W360-V591 HydrophobicContact CZ3-CG1 4.01Å; S361-V591 WeakPolarHBondContact CA-O 3.28Å; S361-V591 WeakPolarHBondContact CB-O 3.48Å; S361-V591 PolarHBondContact OG-O 3.14Å; S411-V591 WeakPolarHBondContact O-CA 3.26Å; L413-V591 HydrophobicContact CB-CG2 4.17Å; L585-V591 HydrophobicContact CD2-CG1 4.14Å; M588-V591 HydrophobicContact CB-CB 3.84Å; M588-V591 HydrophobicContact CB-CG2 4.15Å; M588-V591 HydrophobicContact CE-CG2 3.84Å; M588-V591 WeakPolarHBondContact O-CB 3.33Å; M588-V591 WeakPolarHBondContact O-CG1 3.26Å; M588-V591 PolarHBondContact O-N 2.89Å; M588-V591 HydrophobicContact SD-CG2 4.3Å; V591-V593 HydrophobicContact CG1-CG2 4.08Å; V591-V593 HydrophobicContact CG2-CG2 4.01Å
592L95Very high91.7Very high0 Ų021.9 Ų21.90%012%0.119CC..EExtended strand (participates in β ladder)trans-103.2116.2153.6171.767.6000109.7W360 V365 F401 H405 S411 V412 L413 L594W360-L592 WeakPolarHBondContact O-CA 3.23Å; V365-L592 HydrophobicContact CG1-CD2 4.49Å; V365-L592 HydrophobicContact CG2-CD1 4.32Å; V365-L592 HydrophobicContact CG2-CD2 4.39Å; F401-L592 HydrophobicContact CB-CD2 4.03Å; F401-L592 WeakPolarHBondContact O-CD2 3.42Å; H405-L592 HydrophobicContact CB-CB 4.45Å; H405-L592 HydrophobicContact CB-CD2 3.65Å; H405-L592 VanDerWaalsContact CD2-CB 3.44Å; H405-L592 WeakPolarHBondContact CD2-CB 3.31Å; S411-L592 PolarHBondContact O-N 3.36Å; V412-L592 WeakPolarHBondContact CA-O 3.39Å; V412-L592 HydrophobicContact CG2-CB 4.25Å; V412-L592 HydrophobicContact CG2-CD2 4.3Å; V412-L592 HydrophobicContact CG2-CG 4.35Å; V412-L592 WeakPolarHBondContact CG2-O 3.3Å; L413-L592 PolarHBondContact N-O 3.4Å; L592-L594 HydrophobicContact CD1-CD2 3.76Å; L592-L594 HydrophobicContact CD1-CG 4.35Å; L592-L594 HydrophobicContact CD2-CD1 4.11Å; L592-L594 HydrophobicContact CD2-CD2 4.07Å; L592-L594 HydrophobicContact CD2-CG 4.14Å; L592-L594 HydrophobicContact CG-CD1 4.43Å; L592-L594 HydrophobicContact CG-CD2 3.87Å; L592-L594 HydrophobicContact CG-CG 3.93Å
593V95.1Very high91.9Very high1 Ų116.1 Ų16.11%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-94.2132171.3-171.40000108.5G359 W360 L413 W575 L585 V591 F595G359-V593 CarbonylContact C-O 3.29Å; G359-V593 VanDerWaalsContact CA-O 3.28Å; G359-V593 WeakPolarHBondContact CA-O 3.42Å; W360-V593 HydrophobicContact CE3-CG2 4.21Å; W360-V593 PolarHBondContact N-O 3.43Å; W360-V593 PolarHBondContact O-N 3.41Å; L413-V593 HydrophobicContact CB-CG2 4.43Å; L413-V593 HydrophobicContact CD2-CG1 4.26Å; L413-V593 HydrophobicContact CD2-CG2 4.42Å; L413-V593 HydrophobicContact CG-CG1 4.29Å; L413-V593 CarbonylContact O-C 3.57Å; L413-V593 WeakPolarHBondContact O-CA 3.48Å; W575-V593 HydrophobicContact CZ3-CG1 3.97Å; L585-V593 HydrophobicContact CD2-CG2 4.02Å; V591-V593 HydrophobicContact CG1-CG2 4.08Å; V591-V593 HydrophobicContact CG2-CG2 4.01Å; V593-F595 HydrophobicContact CG1-CD2 4.24Å; V593-F595 HydrophobicContact CG1-CE2 3.5Å; V593-F595 VanDerWaalsContact CG1-CE2 3.5Å; V593-F595 HydrophobicContact CG1-CZ 3.87Å
594L95.9Very high91.9Very high0 Ų015 Ų150%09%0.086CC..EExtended strand (participates in β ladder)trans-128.1132.2179.4-62.7178.2000111.1V357 V398 F401 A402 L413 V414 V415 L592V357-L594 HydrophobicContact CG1-CB 4.37Å; V357-L594 HydrophobicContact CG1-CD2 3.99Å; V398-L594 HydrophobicContact CB-CD1 4.1Å; V398-L594 HydrophobicContact CG1-CB 4.27Å; V398-L594 VanDerWaalsContact O-CD1 3.32Å; V398-L594 WeakPolarHBondContact O-CD1 3.5Å; F401-L594 HydrophobicContact CB-CD1 4.09Å; F401-L594 HydrophobicContact CB-CD2 3.8Å; F401-L594 HydrophobicContact CD2-CD2 4.38Å; F401-L594 HydrophobicContact CG-CD2 4.22Å; A402-L594 HydrophobicContact CB-CD1 3.85Å; L413-L594 PolarHBondContact O-N 2.85Å; V414-L594 HydrophobicContact CG1-CB 4.38Å; V414-L594 HydrophobicContact CG2-CD1 4.34Å; V415-L594 PolarHBondContact N-O 3.47Å; L592-L594 HydrophobicContact CD1-CD2 3.76Å; L592-L594 HydrophobicContact CD1-CG 4.35Å; L592-L594 HydrophobicContact CD2-CD1 4.11Å; L592-L594 HydrophobicContact CD2-CD2 4.07Å; L592-L594 HydrophobicContact CD2-CG 4.14Å; L592-L594 HydrophobicContact CG-CD1 4.43Å; L592-L594 HydrophobicContact CG-CD2 3.87Å; L592-L594 HydrophobicContact CG-CG 3.93Å
595F95.2Very high91.5Very high0 Ų015 Ų150%09%0.086CC..EExtended strand (participates in β ladder)trans-117.9117.5171.4-58.2-97000110.1V357 L358 V415 W575 V593 E600 A601 Y604V357-F595 WeakPolarHBondContact CA-O 3.31Å; L358-F595 HydrophobicContact CB-CB 4.33Å; L358-F595 HydrophobicContact CD2-CD2 4.15Å; L358-F595 PolarHBondContact N-O 3.44Å; L358-F595 PolarHBondContact O-N 3.35Å; V415-F595 HydrophobicContact CB-CD1 4.04Å; V415-F595 HydrophobicContact CB-CE1 4.27Å; V415-F595 HydrophobicContact CG1-CD1 4.22Å; V415-F595 HydrophobicContact CG1-CE1 4.42Å; V415-F595 WeakPolarHBondContact O-CA 3.33Å; W575-F595 HydrophobicContact CB-CE1 4.16Å; W575-F595 AromaticContact CD2-CE1 3.88Å; W575-F595 HydrophobicContact CD2-CE1 3.88Å; W575-F595 AromaticContact CD2-CZ 3.91Å; W575-F595 HydrophobicContact CD2-CZ 3.91Å; W575-F595 AromaticContact CE3-CE1 3.45Å; W575-F595 HydrophobicContact CE3-CE1 3.45Å; W575-F595 VanDerWaalsContact CE3-CE1 3.45Å; W575-F595 AromaticContact CE3-CZ 3.39Å; W575-F595 HydrophobicContact CE3-CZ 3.39Å; W575-F595 HydrophobicContact CG-CE1 4.15Å; W575-F595 HydrophobicContact CH2-CZ 4.45Å; W575-F595 HydrophobicContact CZ3-CE1 4.19Å; W575-F595 AromaticContact CZ3-CZ 3.69Å; W575-F595 HydrophobicContact CZ3-CZ 3.69Å; V593-F595 HydrophobicContact CG1-CD2 4.24Å; V593-F595 HydrophobicContact CG1-CE2 3.5Å; V593-F595 VanDerWaalsContact CG1-CE2 3.5Å; V593-F595 HydrophobicContact CG1-CZ 3.87Å; F595-E600 HydrophobicContact CD1-CB 4.33Å; F595-A601 HydrophobicContact CB-CB 3.71Å; F595-A601 HydrophobicContact CD1-CB 4.08Å; F595-A601 HydrophobicContact CD2-CB 4.33Å; F595-A601 HydrophobicContact CG-CB 3.8Å; F595-Y604 HydrophobicContact CE1-CG 4.33Å; F595-Y604 AromaticContact CE2-CD1 3.62Å; F595-Y604 HydrophobicContact CE2-CD1 3.62Å; F595-Y604 HydrophobicContact CE2-CD2 4.4Å; F595-Y604 HydrophobicContact CE2-CE1 4.08Å; F595-Y604 AromaticContact CE2-CG 3.8Å; F595-Y604 HydrophobicContact CE2-CG 3.8Å; F595-Y604 AromaticContact CZ-CD1 3.75Å; F595-Y604 HydrophobicContact CZ-CD1 3.75Å; F595-Y604 AromaticContact CZ-CD2 3.95Å; F595-Y604 HydrophobicContact CZ-CD2 3.95Å; F595-Y604 AromaticContact CZ-CG 3.42Å; F595-Y604 HydrophobicContact CZ-CG 3.42Å; F595-Y604 VanDerWaalsContact CZ-CG 3.42Å
596D92.6Very high91.2Very high49 Ų4914.1 Ų14.126%0.2628%0.082SC..SBendtrans-85.6-21.5167.1-163.284.9000111.4V357 V398 V415 I420V357-D596 HydrophobicContact CG2-CB 4.41Å; V398-D596 HydrophobicContact CG1-CB 3.8Å; V415-D596 PolarHBondContact O-N 2.72Å; I420-D596 HydrophobicContact CD1-CB 3.45Å; I420-D596 VanDerWaalsContact CD1-CB 3.45Å; I420-D596 VanDerWaalsContact CG2-OD2 3.27Å; I420-D596 WeakPolarHBondContact CG2-OD2 3.36Å
597D93.5Very high91.1Very high5 Ų510.6 Ų10.63%0.0276%0.059CC..  trans-103114.2178.7-163.5-55.9000111.1N417 L599 E600 A601 K718N417-D597 PolarHBondContact ND2-OD2 3.44Å; N417-D597 PolarHBondContact OD1-OD2 3.15Å; D597-L599 VanDerWaalsContact C-N 3.31Å; D597-L599 PolarHBondContact O-N 3.27Å; D597-L599 WeakPolarHBondContact OD1-CB 3.33Å; D597-L599 PolarHBondContact OD1-N 2.87Å; D597-E600 HydrophobicContact CB-CB 4.06Å; D597-E600 HydrophobicContact CB-CG 3.86Å; D597-E600 PolarHBondContact O-N 3.06Å; D597-E600 PolarHBondContact OD1-N 3.36Å; D597-A601 WeakPolarHBondContact O-CB 3.4Å; D597-A601 PolarHBondContact O-N 2.84Å; D597-K718 WeakPolarHBondContact OD2-CE 3.36Å; D597-K718 IonicContact OD2-NZ 3.49Å; D597-K718 PolarHBondContact OD2-NZ 3.24Å
598A93.5Very high91.1Very high3 Ų311.9 Ų11.93%0.0256%0.064CC..Hα-helixtrans-72.5-21.3-174.600000114.2S602 F721 S722 Y725A598-S602 PolarHBondContact O-N 3.36Å; A598-S602 VanDerWaalsContact O-N 3.13Å; A598-S602 PolarHBondContact O-OG 2.72Å; A598-F721 HydrophobicContact CB-CB 4.05Å; A598-F721 WeakPolarHBondContact O-CB 3.32Å; A598-S722 VanDerWaalsContact CB-N 3.35Å; A598-Y725 HydrophobicContact CB-CE1 3.68Å; A598-Y725 WeakPolarHBondContact CB-OH 3.4Å
599L94.6Very high91.1Very high4 Ų412 Ų122%0.0217%0.065CC..Hα-helixtrans-74.3-44.4173.3175.859000109.9D597 A601 S602 V603 W714 K718 F721 F757D597-L599 VanDerWaalsContact C-N 3.31Å; D597-L599 PolarHBondContact O-N 3.27Å; D597-L599 WeakPolarHBondContact OD1-CB 3.33Å; D597-L599 PolarHBondContact OD1-N 2.87Å; L599-A601 VanDerWaalsContact C-N 3.3Å; L599-A601 PolarHBondContact O-N 2.91Å; L599-S602 WeakPolarHBondContact O-CA 3.32Å; L599-S602 WeakPolarHBondContact O-CB 3.46Å; L599-S602 PolarHBondContact O-N 2.84Å; L599-V603 PolarHBondContact O-N 2.62Å; L599-V603 VanDerWaalsContact O-N 3.13Å; L599-W714 HydrophobicContact CD2-CH2 4.42Å; L599-W714 HydrophobicContact CD2-CZ2 4.17Å; L599-K718 HydrophobicContact CB-CB 4.05Å; L599-K718 HydrophobicContact CB-CD 4.1Å; L599-K718 HydrophobicContact CB-CG 3.91Å; L599-K718 HydrophobicContact CD2-CD 3.91Å; L599-K718 HydrophobicContact CD2-CG 3.77Å; L599-F721 HydrophobicContact CB-CD2 4.17Å; L599-F721 HydrophobicContact CB-CG 4.35Å; L599-F721 HydrophobicContact CD1-CD1 3.92Å; L599-F721 HydrophobicContact CD1-CD2 3.98Å; L599-F721 HydrophobicContact CD1-CE1 3.71Å; L599-F721 HydrophobicContact CD1-CE2 3.78Å; L599-F721 HydrophobicContact CD1-CG 4.06Å; L599-F721 HydrophobicContact CD1-CZ 3.66Å; L599-F757 HydrophobicContact CD1-CE1 4.07Å; L599-F757 HydrophobicContact CD1-CE2 4.06Å; L599-F757 HydrophobicContact CD1-CZ 3.56Å; L599-F757 HydrophobicContact CD2-CD1 4.48Å; L599-F757 HydrophobicContact CD2-CD2 3.69Å; L599-F757 HydrophobicContact CD2-CE1 4.29Å; L599-F757 HydrophobicContact CD2-CE2 3.45Å; L599-F757 VanDerWaalsContact CD2-CE2 3.45Å; L599-F757 HydrophobicContact CD2-CG 4.2Å; L599-F757 HydrophobicContact CD2-CZ 3.77Å; L599-F757 HydrophobicContact CG-CD2 4.19Å; L599-F757 HydrophobicContact CG-CE1 4.31Å; L599-F757 HydrophobicContact CG-CE2 3.42Å; L599-F757 VanDerWaalsContact CG-CE2 3.42Å; L599-F757 HydrophobicContact CG-CZ 3.48Å; L599-F757 VanDerWaalsContact CG-CZ 3.48Å
600E94.1Very high91.5Very high12 Ų129.8 Ų9.86%0.0565%0.049CC..Hα-helixtrans-62-37.8173-61.5-64.5141.700111.9V415 I574 W575 F595 D597 S602 V603 Y604 H761V415-E600 HydrophobicContact CG1-CB 4.28Å; I574-E600 VanDerWaalsContact CA-OE2 3.28Å; I574-E600 WeakPolarHBondContact CA-OE2 3.47Å; W575-E600 PolarHBondContact N-OE2 2.68Å; F595-E600 HydrophobicContact CD1-CB 4.33Å; D597-E600 HydrophobicContact CB-CB 4.06Å; D597-E600 HydrophobicContact CB-CG 3.86Å; D597-E600 PolarHBondContact O-N 3.06Å; D597-E600 PolarHBondContact OD1-N 3.36Å; E600-S602 PolarHBondContact O-N 3.39Å; E600-V603 PolarHBondContact O-N 2.67Å; E600-Y604 PolarHBondContact O-N 3.04Å; E600-H761 IonicContact OE1-CE1 2.91Å; E600-H761 IonicContact OE1-NE2 2.61Å; E600-H761 PolarHBondContact OE1-NE2 3.28Å; E600-H761 IonicContact OE2-CE1 3.76Å; E600-H761 PolarHBondContact OE2-CE1 2.77Å; E600-H761 IonicContact OE2-NE2 2.59Å; E600-H761 PolarHBondContact OE2-NE2 3.19Å; E600-H761 VanDerWaalsContact OE2-NE2 3.11Å
601A92.3Very high91.8Very high0 Ų010.7 Ų10.70%06%0.055CC..Hα-helixtrans-62.3-30.5172.100000113.1L358 F595 D597 L599 G605 Y725L358-A601 HydrophobicContact CB-CB 4.39Å; L358-A601 HydrophobicContact CD2-CB 3.88Å; F595-A601 HydrophobicContact CB-CB 3.71Å; F595-A601 HydrophobicContact CD1-CB 4.08Å; F595-A601 HydrophobicContact CD2-CB 4.33Å; F595-A601 HydrophobicContact CG-CB 3.8Å; D597-A601 WeakPolarHBondContact O-CB 3.4Å; D597-A601 PolarHBondContact O-N 2.84Å; L599-A601 VanDerWaalsContact C-N 3.3Å; L599-A601 PolarHBondContact O-N 2.91Å; A601-G605 PolarHBondContact O-N 3.14Å; A601-Y725 HydrophobicContact CB-CE1 3.92Å
602S91.6Very high91.8Very high4 Ų412.8 Ų12.83%0.0286%0.063CC..Hα-helixtrans-77.2-29.9178.2-630000112.4A598 L599 E600 G605 G606 V607A598-S602 PolarHBondContact O-N 3.36Å; A598-S602 VanDerWaalsContact O-N 3.13Å; A598-S602 PolarHBondContact O-OG 2.72Å; L599-S602 WeakPolarHBondContact O-CA 3.32Å; L599-S602 WeakPolarHBondContact O-CB 3.46Å; L599-S602 PolarHBondContact O-N 2.84Å; E600-S602 PolarHBondContact O-N 3.39Å; S602-G605 CarbonylContact O-C 3.55Å; S602-G605 WeakPolarHBondContact O-CA 3.27Å; S602-G605 PolarHBondContact O-N 3.23Å; S602-G606 PolarHBondContact O-N 2.92Å; S602-V607 PolarHBondContact O-N 3.45Å; S602-V607 VanDerWaalsContact O-N 3.08Å
603V90.5Very high91.7Very high5 Ų514.1 Ų14.13%0.037%0.07CC..Hα-helixtrans-63.5-51.6168.1178.90000110.6L340 L599 E600 G605 G606 F757L340-V603 HydrophobicContact CD2-CB 4.14Å; L340-V603 HydrophobicContact CD2-CG1 3.73Å; L340-V603 HydrophobicContact CD2-CG2 3.99Å; L599-V603 PolarHBondContact O-N 2.62Å; L599-V603 VanDerWaalsContact O-N 3.13Å; E600-V603 PolarHBondContact O-N 2.67Å; V603-G605 PolarHBondContact O-N 2.75Å; V603-G606 PolarHBondContact O-N 2.82Å; V603-F757 HydrophobicContact CG2-CE1 4.45Å; V603-F757 HydrophobicContact CG2-CE2 4.18Å; V603-F757 HydrophobicContact CG2-CZ 3.53Å
604Y88.8Confident91.5Very high35 Ų3514.1 Ų14.114%0.1377%0.07CC..Hα-helixtrans-53.3-38.8172.1165.3-107.5000112W575 F595 E600 R734W575-Y604 HydrophobicContact CD2-CD2 4.4Å; W575-Y604 AromaticContact CE2-CD2 3.77Å; W575-Y604 AromaticContact CH2-CD2 3.91Å; W575-Y604 HydrophobicContact CH2-CD2 3.91Å; W575-Y604 HydrophobicContact CH2-CE2 4.31Å; W575-Y604 AromaticContact CZ2-CD2 3.53Å; W575-Y604 HydrophobicContact CZ2-CD2 3.53Å; W575-Y604 HydrophobicContact CZ2-CE2 4.19Å; W575-Y604 HydrophobicContact CZ2-CG 4.49Å; W575-Y604 HydrophobicContact CZ3-CD2 4.48Å; F595-Y604 HydrophobicContact CE1-CG 4.33Å; F595-Y604 AromaticContact CE2-CD1 3.62Å; F595-Y604 HydrophobicContact CE2-CD1 3.62Å; F595-Y604 HydrophobicContact CE2-CD2 4.4Å; F595-Y604 HydrophobicContact CE2-CE1 4.08Å; F595-Y604 AromaticContact CE2-CG 3.8Å; F595-Y604 HydrophobicContact CE2-CG 3.8Å; F595-Y604 AromaticContact CZ-CD1 3.75Å; F595-Y604 HydrophobicContact CZ-CD1 3.75Å; F595-Y604 AromaticContact CZ-CD2 3.95Å; F595-Y604 HydrophobicContact CZ-CD2 3.95Å; F595-Y604 AromaticContact CZ-CG 3.42Å; F595-Y604 HydrophobicContact CZ-CG 3.42Å; F595-Y604 VanDerWaalsContact CZ-CG 3.42Å; E600-Y604 PolarHBondContact O-N 3.04Å; Y604-R734 PolarHBondContact O-NH1 3.05Å; Y604-R734 PolarHBondContact O-NH2 3.11Å
605G84.1Confident91Very high0 Ų016.2 Ų16.20%09%0.088CC..Hα-helixtrans-65.1-29.9175.900000116.3A601 S602 V603 R734 V736A601-G605 PolarHBondContact O-N 3.14Å; S602-G605 CarbonylContact O-C 3.55Å; S602-G605 WeakPolarHBondContact O-CA 3.27Å; S602-G605 PolarHBondContact O-N 3.23Å; V603-G605 PolarHBondContact O-N 2.75Å; G605-R734 PolarHBondContact O-NE 3.13Å; G605-R734 PolarHBondContact O-NH1 3.44Å; G605-R734 PolarHBondContact O-NH2 2.91Å; G605-V736 WeakPolarHBondContact O-CG2 3.27Å
606G85.6Confident90.6Very high1 Ų121.3 Ų21.31%0.0112%0.115CC..THydrogen-bonded Turntrans68.442.4-165.700000112.5L340 S602 V603 V736L340-G606 WeakPolarHBondContact O-CA 3.36Å; S602-G606 PolarHBondContact O-N 2.92Å; V603-G606 PolarHBondContact O-N 2.82Å; G606-V736 PolarHBondContact O-N 2.66Å
607V88.5Confident90.3Very high4 Ų422.2 Ų22.22%0.02412%0.118CC..EExtended strand (participates in β ladder)trans-75.7129.4163.4174.80000107.7L340 S602 F724 V736 G737L340-V607 WeakPolarHBondContact CB-O 3.39Å; L340-V607 WeakPolarHBondContact CD1-O 3.26Å; S602-V607 PolarHBondContact O-N 3.45Å; S602-V607 VanDerWaalsContact O-N 3.08Å; V607-F724 HydrophobicContact CG1-CD2 3.99Å; V607-F724 HydrophobicContact CG1-CE1 4.2Å; V607-F724 HydrophobicContact CG1-CE2 3.59Å; V607-F724 HydrophobicContact CG1-CG 4.44Å; V607-F724 HydrophobicContact CG1-CZ 3.7Å; V607-F724 HydrophobicContact CG2-CB 4.24Å; V607-F724 HydrophobicContact CG2-CD1 4.28Å; V607-F724 HydrophobicContact CG2-CD2 4.1Å; V607-F724 HydrophobicContact CG2-CG 3.96Å; V607-V736 HydrophobicContact CG2-CB 4.48Å; V607-G737 CarbonylContact C-O 3.53Å; V607-G737 WeakPolarHBondContact CA-O 3.35Å
608Q89.5Confident90Very high48 Ų4826.4 Ų26.422%0.22415%0.145CC..EExtended strand (participates in β ladder)trans-74.1146177.2-69.5176-17.200111.3P735 G737 Q738 S739Q608-P735 HydrophobicContact CG-CB 4.09Å; Q608-G737 PolarHBondContact N-O 2.73Å; Q608-Q738 HydrophobicContact CB-CG 4.44Å; Q608-S739 PolarHBondContact O-N 3.43Å
609L91.6Very high89.7Confident4 Ų430 Ų302%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-121122.3176.7-17458.6000110.7A338 L340 V611 F721 V741 F757 Y758A338-L609 PolarHBondContact N-O 2.71Å; L340-L609 HydrophobicContact CD1-CB 4.05Å; L609-V611 HydrophobicContact CG-CG2 4.41Å; L609-F721 HydrophobicContact CD1-CZ 4.25Å; L609-V741 HydrophobicContact CD1-CG2 4Å; L609-F757 HydrophobicContact CD2-CD1 4.32Å; L609-F757 HydrophobicContact CD2-CE1 3.99Å; L609-Y758 HydrophobicContact CD2-CD2 4.44Å; L609-Y758 HydrophobicContact CD2-CE2 3.56Å; L609-Y758 HydrophobicContact CG-CE2 4.13Å; L609-Y758 PolarHBondContact O-OH 3.24Å
610D91.1Very high89.5Confident20 Ų2029.9 Ų29.911%0.10716%0.161CC..EExtended strand (participates in β ladder)trans-117.9136175.8177.212.3000108.2R612 S739 V740 V741D610-R612 IonicContact OD1-NE 3.24Å; D610-R612 IonicContact OD2-CZ 3.63Å; D610-R612 VanDerWaalsContact OD2-CZ 3.24Å; D610-R612 IonicContact OD2-NE 3.95Å; D610-R612 PolarHBondContact OD2-NE 3.01Å; D610-R612 IonicContact OD2-NH2 2.65Å; D610-R612 PolarHBondContact OD2-NH2 3.33Å; D610-S739 PolarHBondContact N-O 3.01Å; D610-V740 HydrophobicContact CB-CG1 4.42Å; D610-V740 HydrophobicContact CB-CG2 4.18Å; D610-V740 CarbonylContact O-C 3.51Å; D610-V740 WeakPolarHBondContact O-CA 3.24Å; D610-V741 PolarHBondContact O-N 3.05Å
611V93.2Very high89.2Confident25 Ų2530.3 Ų30.315%0.15216%0.163CC..EExtended strand (participates in β ladder)trans-131.4107.4-179.8-1770000108.1L609 V741 A743 L754 Y758 L769L609-V611 HydrophobicContact CG-CG2 4.41Å; V611-V741 HydrophobicContact CG1-CB 4.43Å; V611-V741 HydrophobicContact CG2-CB 4.26Å; V611-V741 HydrophobicContact CG2-CG2 4.46Å; V611-A743 HydrophobicContact CG1-CB 4.32Å; V611-L754 HydrophobicContact CG1-CD1 4.14Å; V611-L754 HydrophobicContact CG2-CD1 4.2Å; V611-Y758 HydrophobicContact CG2-CE2 4.23Å; V611-L769 HydrophobicContact CB-CD1 4.33Å; V611-L769 HydrophobicContact CG1-CD1 3.99Å; V611-L769 HydrophobicContact CG1-CD2 4.16Å
612R92.6Very high88.9Confident49 Ų4935.2 Ų35.219%0.18519%0.186CC..EExtended strand (participates in β ladder)trans-99.6119.6179.2-54.9-172.1-172.8-163.4-5.3108.4D610 V614 V740 V741 F742 A743D610-R612 IonicContact OD1-NE 3.24Å; D610-R612 IonicContact OD2-CZ 3.63Å; D610-R612 VanDerWaalsContact OD2-CZ 3.24Å; D610-R612 IonicContact OD2-NE 3.95Å; D610-R612 PolarHBondContact OD2-NE 3.01Å; D610-R612 IonicContact OD2-NH2 2.65Å; D610-R612 PolarHBondContact OD2-NH2 3.33Å; R612-V614 HydrophobicContact CB-CG2 4.08Å; R612-V740 HydrophobicContact CG-CG1 4.31Å; R612-V741 PolarHBondContact N-O 3.12Å; R612-F742 HydrophobicContact CB-CD1 4.23Å; R612-F742 WeakPolarHBondContact O-CA 3.43Å; R612-A743 PolarHBondContact O-N 3.14Å
613V92.1Very high88.7Confident27 Ų2737.6 Ų37.616%0.16420%0.197CC..EExtended strand (participates in β ladder)trans-82.5124.9171-1790000107.6A743 P745 L769 I772V613-A743 CarbonylContact C-O 3.52Å; V613-A743 VanDerWaalsContact CA-O 3.26Å; V613-A743 WeakPolarHBondContact CA-O 3.47Å; V613-P745 HydrophobicContact CG1-CG 3.79Å; V613-L769 HydrophobicContact CG2-CD2 3.38Å; V613-I772 HydrophobicContact CB-CD1 4.29Å; V613-I772 HydrophobicContact CG1-CD1 3.71Å; V613-I772 HydrophobicContact CG2-CD1 3.69Å
614V91.1Very high88.6Confident1 Ų137.4 Ų37.41%0.00620%0.195CC..  trans-143.3121.8-172.8-171.30000107.3R612 E619 K620 A743R612-V614 HydrophobicContact CB-CG2 4.08Å; V614-E619 HydrophobicContact CG1-CB 3.64Å; V614-E619 HydrophobicContact CG1-CG 3.72Å; V614-E619 VanDerWaalsContact CG1-OE2 3.26Å; V614-E619 WeakPolarHBondContact CG1-OE2 3.47Å; V614-K620 HydrophobicContact CB-CG 3.98Å; V614-K620 HydrophobicContact CG1-CB 4.17Å; V614-K620 HydrophobicContact CG1-CG 3.51Å; V614-K620 VanDerWaalsContact CG1-N 3.33Å; V614-A743 PolarHBondContact N-O 3.41Å
615A84.9Confident88.4Confident44 Ų4439.2 Ų39.236%0.36420%0.204SC..  trans-79.9-52.7-17500000111E619A615-E619 PolarHBondContact N-OE2 3.1Å
616D86.6Confident88.4Confident107 Ų10741.1 Ų41.157%0.57222%0.22SC*.SBendtrans-105.7149.8-165.8-64.7-53.1000112.9E619 K620D616-E619 HydrophobicContact CB-CB 4.38Å; D616-E619 WeakPolarHBondContact O-CB 3.16Å; D616-E619 PolarHBondContact O-N 3.34Å; D616-E619 VanDerWaalsContact O-N 3.17Å; D616-K620 PolarHBondContact O-N 2.88Å
617E86.3Confident88.4Confident69 Ų6941.1 Ų41.132%0.32222%0.22SC..Hα-helixtrans-65.1-37.9-179.8-64.5-63.8135.100113.6E619 K620 I621 Y708 K744E617-E619 VanDerWaalsContact C-N 3.29Å; E617-E619 PolarHBondContact O-N 2.91Å; E617-K620 WeakPolarHBondContact O-CB 3.48Å; E617-K620 PolarHBondContact O-N 2.92Å; E617-K620 WeakPolarHBondContact OE1-CE 3.45Å; E617-K620 IonicContact OE1-NZ 2.98Å; E617-K620 PolarHBondContact OE1-NZ 2.87Å; E617-K620 IonicContact OE2-NZ 3.55Å; E617-I621 WeakPolarHBondContact O-CG1 3.28Å; E617-I621 PolarHBondContact O-N 2.79Å; E617-Y708 VanDerWaalsContact OE2-CE1 3.26Å; E617-Y708 WeakPolarHBondContact OE2-CE1 3.38Å; E617-Y708 VanDerWaalsContact OE2-CZ 3.31Å; E617-Y708 PolarHBondContact OE2-OH 3.43Å; E617-K744 WeakPolarHBondContact OE1-CE 3.48Å; E617-K744 IonicContact OE1-NZ 2.76Å; E617-K744 PolarHBondContact OE1-NZ 3.3Å
618P86.9Confident87.9Confident93 Ų9342.6 Ų42.660%0.60423%0.227SC*.Hα-helixtrans-57.8-40169.6-25.936000112.9K620 I621 E622P618-K620 VanDerWaalsContact C-N 3.34Å; P618-K620 PolarHBondContact O-N 3.05Å; P618-I621 PolarHBondContact O-N 2.65Å; P618-I621 VanDerWaalsContact O-N 3.12Å; P618-E622 PolarHBondContact O-N 3.01Å
619E88Confident87.3Confident78 Ų7843 Ų4336%0.36424%0.238SC..Hα-helixtrans-65.7-36.4177.7-164.2-162-175.800111.5V614 A615 D616 E617 I621 E622 H623V614-E619 HydrophobicContact CG1-CB 3.64Å; V614-E619 HydrophobicContact CG1-CG 3.72Å; V614-E619 VanDerWaalsContact CG1-OE2 3.26Å; V614-E619 WeakPolarHBondContact CG1-OE2 3.47Å; A615-E619 PolarHBondContact N-OE2 3.1Å; D616-E619 HydrophobicContact CB-CB 4.38Å; D616-E619 WeakPolarHBondContact O-CB 3.16Å; D616-E619 PolarHBondContact O-N 3.34Å; D616-E619 VanDerWaalsContact O-N 3.17Å; E617-E619 VanDerWaalsContact C-N 3.29Å; E617-E619 PolarHBondContact O-N 2.91Å; E619-I621 VanDerWaalsContact C-N 3.33Å; E619-E622 PolarHBondContact O-N 3.42Å; E619-H623 PolarHBondContact O-N 2.9Å; E619-H623 PolarHBondContact O-ND1 2.94Å; E619-H623 IonicContact OE1-CE1 2.81Å
620K89.2Confident86.5Confident2 Ų247.5 Ų47.51%0.00926%0.259CS..Hα-helixtrans-62.5-39.7170.8-74.5-173.6-1801760111.8V614 D616 E617 P618 H623 L624 Y708 S709 F742V614-K620 HydrophobicContact CB-CG 3.98Å; V614-K620 HydrophobicContact CG1-CB 4.17Å; V614-K620 HydrophobicContact CG1-CG 3.51Å; V614-K620 VanDerWaalsContact CG1-N 3.33Å; D616-K620 PolarHBondContact O-N 2.88Å; E617-K620 WeakPolarHBondContact O-CB 3.48Å; E617-K620 PolarHBondContact O-N 2.92Å; E617-K620 WeakPolarHBondContact OE1-CE 3.45Å; E617-K620 IonicContact OE1-NZ 2.98Å; E617-K620 PolarHBondContact OE1-NZ 2.87Å; E617-K620 IonicContact OE2-NZ 3.55Å; P618-K620 VanDerWaalsContact C-N 3.34Å; P618-K620 PolarHBondContact O-N 3.05Å; K620-H623 PolarHBondContact O-N 2.78Å; K620-L624 WeakPolarHBondContact O-CB 3.07Å; K620-L624 PolarHBondContact O-N 3.41Å; K620-Y708 HydrophobicContact CB-CE2 4.11Å; K620-Y708 HydrophobicContact CD-CD1 4.48Å; K620-Y708 HydrophobicContact CD-CE1 3.85Å; K620-Y708 HydrophobicContact CD-CE2 4.07Å; K620-Y708 WeakPolarHBondContact CE-O 3.49Å; K620-Y708 PolarHBondContact NZ-O 2.99Å; K620-S709 PolarHBondContact NZ-OG 2.97Å; K620-S709 VanDerWaalsContact NZ-OG 3.14Å; K620-F742 HydrophobicContact CB-CD2 4.13Å; K620-F742 HydrophobicContact CB-CE2 4.27Å; K620-F742 HydrophobicContact CD-CB 4.49Å; K620-F742 HydrophobicContact CD-CD2 4.09Å; K620-F742 HydrophobicContact CG-CD2 3.98Å
621I87.9Confident85.4Confident20 Ų2049 Ų4910%0.10326%0.264CS..Hα-helixtrans-67.5-37.6178.2-63.1-61.2000111.3E617 P618 E619 L624 K625 L652 I659E617-I621 WeakPolarHBondContact O-CG1 3.28Å; E617-I621 PolarHBondContact O-N 2.79Å; P618-I621 PolarHBondContact O-N 2.65Å; P618-I621 VanDerWaalsContact O-N 3.12Å; E619-I621 VanDerWaalsContact C-N 3.33Å; I621-L624 HydrophobicContact CD1-CD2 4.46Å; I621-L624 PolarHBondContact O-N 3.49Å; I621-K625 HydrophobicContact CG2-CD 4.4Å; I621-K625 WeakPolarHBondContact O-CG 3.45Å; I621-K625 PolarHBondContact O-N 2.99Å; I621-L652 HydrophobicContact CD1-CD1 3.5Å; I621-I659 HydrophobicContact CG2-CD1 4.25Å
622E87.2Confident83.9Confident103 Ų10356.2 Ų56.248%0.48129%0.288SS..Hα-helixtrans-68.5-42.5173.1-59.8-41.8121.100112.6P618 E619 L624 K625 A626P618-E622 PolarHBondContact O-N 3.01Å; E619-E622 PolarHBondContact O-N 3.42Å; E622-L624 VanDerWaalsContact C-N 3.25Å; E622-L624 PolarHBondContact O-N 3.24Å; E622-K625 WeakPolarHBondContact O-CB 3.27Å; E622-K625 PolarHBondContact O-N 3.01Å; E622-K625 IonicContact OE1-NZ 2.82Å; E622-K625 PolarHBondContact OE1-NZ 2.91Å; E622-K625 WeakPolarHBondContact OE2-CD 3.27Å; E622-K625 IonicContact OE2-NZ 2.79Å; E622-K625 PolarHBondContact OE2-NZ 3.01Å; E622-A626 PolarHBondContact O-N 2.78Å
623H87.4Confident82Confident55 Ų5560.2 Ų60.226%0.25531%0.313SS..Hα-helixtrans-60.6-35.7172.7-79.395.3000112.5E619 K620 L627 F742E619-H623 PolarHBondContact O-N 2.9Å; E619-H623 PolarHBondContact O-ND1 2.94Å; E619-H623 IonicContact OE1-CE1 2.81Å; K620-H623 PolarHBondContact O-N 2.78Å; H623-L627 WeakPolarHBondContact O-CG 3.35Å; H623-L627 PolarHBondContact O-N 2.97Å; H623-L627 VanDerWaalsContact O-N 3.11Å; H623-F742 HydrophobicContact CB-CE1 4.33Å; H623-F742 HydrophobicContact CB-CZ 4.09Å
624L88.2Confident80.2Confident0 Ų065.3 Ų65.30%033%0.333CS..Hα-helixtrans-71.1-40.4175.4178.954.6000112.5K620 I621 E622 A626 L627 I628 M641 L652 L656 I706 Y708 F742K620-L624 WeakPolarHBondContact O-CB 3.07Å; K620-L624 PolarHBondContact O-N 3.41Å; I621-L624 HydrophobicContact CD1-CD2 4.46Å; I621-L624 PolarHBondContact O-N 3.49Å; E622-L624 VanDerWaalsContact C-N 3.25Å; E622-L624 PolarHBondContact O-N 3.24Å; L624-A626 VanDerWaalsContact C-N 3.33Å; L624-A626 PolarHBondContact O-N 3.14Å; L624-L627 PolarHBondContact O-N 3.26Å; L624-I628 HydrophobicContact CD1-CD1 3.75Å; L624-I628 HydrophobicContact CD1-CG1 4.15Å; L624-I628 HydrophobicContact CG-CD1 3.89Å; L624-I628 WeakPolarHBondContact O-CB 3.47Å; L624-I628 VanDerWaalsContact O-CG1 3.27Å; L624-I628 WeakPolarHBondContact O-CG1 3.45Å; L624-I628 PolarHBondContact O-N 2.98Å; L624-M641 HydrophobicContact CD1-CE 3.35Å; L624-M641 HydrophobicContact CD2-CE 3.64Å; L624-M641 HydrophobicContact CG-CE 4.14Å; L624-L652 HydrophobicContact CD2-CD1 4.29Å; L624-L656 HydrophobicContact CD2-CD2 3.92Å; L624-L656 HydrophobicContact CG-CD2 4.47Å; L624-I706 HydrophobicContact CD1-CD1 3.89Å; L624-Y708 HydrophobicContact CD2-CE2 4.42Å; L624-F742 HydrophobicContact CB-CE2 4.26Å; L624-F742 HydrophobicContact CB-CZ 4.29Å
625K83.6Confident78.3Confident73 Ų7369.2 Ų69.232%0.31737%0.365SS..Hα-helixtrans-57.7-45.6170.6-79.1161.1167.8178.20111.3I621 E622 I628 A629 I659I621-K625 HydrophobicContact CG2-CD 4.4Å; I621-K625 WeakPolarHBondContact O-CG 3.45Å; I621-K625 PolarHBondContact O-N 2.99Å; E622-K625 WeakPolarHBondContact O-CB 3.27Å; E622-K625 PolarHBondContact O-N 3.01Å; E622-K625 IonicContact OE1-NZ 2.82Å; E622-K625 PolarHBondContact OE1-NZ 2.91Å; E622-K625 WeakPolarHBondContact OE2-CD 3.27Å; E622-K625 IonicContact OE2-NZ 2.79Å; E622-K625 PolarHBondContact OE2-NZ 3.01Å; K625-I628 PolarHBondContact O-N 2.82Å; K625-A629 VanDerWaalsContact O-CB 3.3Å; K625-A629 WeakPolarHBondContact O-CB 3.34Å; K625-A629 PolarHBondContact O-N 3.02Å; K625-I659 HydrophobicContact CD-CD1 4.22Å; K625-I659 HydrophobicContact CG-CD1 3.56Å
626A85.3Confident77.2Confident40 Ų4072.3 Ų72.333%0.33138%0.376SS..Hα-helixtrans-59-51177.600000111.5E622 L624 I628 A629 E630E622-A626 PolarHBondContact O-N 2.78Å; L624-A626 VanDerWaalsContact C-N 3.33Å; L624-A626 PolarHBondContact O-N 3.14Å; A626-I628 VanDerWaalsContact C-N 3.32Å; A626-I628 PolarHBondContact O-N 2.86Å; A626-A629 PolarHBondContact O-N 3.29Å; A626-A629 VanDerWaalsContact O-N 3.14Å; A626-E630 WeakPolarHBondContact O-CB 3.49Å; A626-E630 VanDerWaalsContact O-CG 3.31Å; A626-E630 WeakPolarHBondContact O-CG 3.42Å; A626-E630 PolarHBondContact O-N 3.4Å
627L84.4Confident76.6Confident2 Ų270.7 Ų70.71%0.0137%0.365CS..Hα-helixtrans-56.4-42.6175.7-76.8164.3000113.1H623 L624 R631 V740 F742H623-L627 WeakPolarHBondContact O-CG 3.35Å; H623-L627 PolarHBondContact O-N 2.97Å; H623-L627 VanDerWaalsContact O-N 3.11Å; L624-L627 PolarHBondContact O-N 3.26Å; L627-R631 WeakPolarHBondContact O-CB 3.39Å; L627-R631 VanDerWaalsContact O-CG 3.24Å; L627-R631 WeakPolarHBondContact O-CG 3.44Å; L627-R631 PolarHBondContact O-N 3.27Å; L627-R631 VanDerWaalsContact O-N 3.1Å; L627-V740 HydrophobicContact CD1-CG1 4.06Å; L627-V740 HydrophobicContact CD2-CG2 4.18Å; L627-F742 HydrophobicContact CD1-CE1 3.92Å; L627-F742 HydrophobicContact CD1-CZ 3.88Å
628I78.8Confident76.4Confident35 Ų3568.4 Ų68.418%0.17936%0.356CS..Hα-helixtrans-70.1-37.5178.7-68166.5000110.9L624 K625 A626 R631 R632 L656 V661L624-I628 HydrophobicContact CD1-CD1 3.75Å; L624-I628 HydrophobicContact CD1-CG1 4.15Å; L624-I628 HydrophobicContact CG-CD1 3.89Å; L624-I628 WeakPolarHBondContact O-CB 3.47Å; L624-I628 VanDerWaalsContact O-CG1 3.27Å; L624-I628 WeakPolarHBondContact O-CG1 3.45Å; L624-I628 PolarHBondContact O-N 2.98Å; K625-I628 PolarHBondContact O-N 2.82Å; A626-I628 VanDerWaalsContact C-N 3.32Å; A626-I628 PolarHBondContact O-N 2.86Å; I628-R631 PolarHBondContact O-N 2.86Å; I628-R632 WeakPolarHBondContact O-CG 3.36Å; I628-R632 PolarHBondContact O-N 2.99Å; I628-L656 HydrophobicContact CD1-CD2 4.3Å; I628-V661 HydrophobicContact CD1-CG1 4.13Å; I628-V661 HydrophobicContact CD1-CG2 4.2Å; I628-V661 HydrophobicContact CG2-CG2 4.42Å
629A77.4Confident76.4Confident55 Ų5564.7 Ų64.746%0.45533%0.333SS..Hα-helixtrans-68.8-43.8177.100000112.1K625 A626 R631 R632K625-A629 VanDerWaalsContact O-CB 3.3Å; K625-A629 WeakPolarHBondContact O-CB 3.34Å; K625-A629 PolarHBondContact O-N 3.02Å; A626-A629 PolarHBondContact O-N 3.29Å; A626-A629 VanDerWaalsContact O-N 3.14Å; A629-R631 VanDerWaalsContact C-N 3.3Å; A629-R631 PolarHBondContact O-N 3.48Å; A629-R632 PolarHBondContact O-N 3.5Å
630E74.8Confident76.7Confident100 Ų10061 Ų6147%0.46732%0.316SS..Hα-helixtrans-54.7-46.6171.6-73.3166.3-174.600110.8A626 R632 N633A626-E630 WeakPolarHBondContact O-CB 3.49Å; A626-E630 VanDerWaalsContact O-CG 3.31Å; A626-E630 WeakPolarHBondContact O-CG 3.42Å; A626-E630 PolarHBondContact O-N 3.4Å; E630-R632 PolarHBondContact O-N 2.91Å; E630-N633 PolarHBondContact O-N 3.41Å; E630-N633 PolarHBondContact O-ND2 2.96Å
631R67.9Low76.9Confident52 Ų5260.9 Ų60.920%0.19632%0.315CS..Hα-helixtrans-70.8-23.8178.7-70.3-74.9178.1144.33.1114.2L627 I628 A629 N633 F634 E637 P703 L704L627-R631 WeakPolarHBondContact O-CB 3.39Å; L627-R631 VanDerWaalsContact O-CG 3.24Å; L627-R631 WeakPolarHBondContact O-CG 3.44Å; L627-R631 PolarHBondContact O-N 3.27Å; L627-R631 VanDerWaalsContact O-N 3.1Å; I628-R631 PolarHBondContact O-N 2.86Å; A629-R631 VanDerWaalsContact C-N 3.3Å; A629-R631 PolarHBondContact O-N 3.48Å; R631-N633 PolarHBondContact O-N 2.74Å; R631-N633 VanDerWaalsContact O-N 3.16Å; R631-F634 CarbonylContact O-C 3.55Å; R631-F634 WeakPolarHBondContact O-CA 3.44Å; R631-F634 PolarHBondContact O-N 3.45Å; R631-E637 IonicContact CZ-OE2 2.72Å; R631-E637 IonicContact NE-OE2 2.65Å; R631-E637 IonicContact NH1-OE2 3.13Å; R631-E637 PolarHBondContact NH1-OE2 2.92Å; R631-P703 PolarHBondContact NH2-O 2.72Å; R631-L704 HydrophobicContact CG-CD2 4.28Å
632R61.1Low77.3Confident176 Ų17659.9 Ų59.966%0.66431%0.31SS*.Hα-helixtrans-62.2-20.8175.1-82.5177.1-179.3-172.60.9113.4I628 A629 E630 F634I628-R632 WeakPolarHBondContact O-CG 3.36Å; I628-R632 PolarHBondContact O-N 2.99Å; A629-R632 PolarHBondContact O-N 3.5Å; E630-R632 PolarHBondContact O-N 2.91Å; R632-F634 VanDerWaalsContact C-N 3.28Å
633N53.7Low77.6Confident133 Ų13355 Ų5571%0.71129%0.287SS*.THydrogen-bonded Turntrans-74.4-18.3172.1-56.8-46.8000113E630 R631E630-N633 PolarHBondContact O-N 3.41Å; E630-N633 PolarHBondContact O-ND2 2.96Å; R631-N633 PolarHBondContact O-N 2.74Å; R631-N633 VanDerWaalsContact O-N 3.16Å
634F52.9Low77.7Confident134 Ų13454.4 Ų54.459%0.58829%0.29SS*.SBendtrans-110.482.1179.2-60.2-83.4000109.5R631 R632 N636R631-F634 CarbonylContact O-C 3.55Å; R631-F634 WeakPolarHBondContact O-CA 3.44Å; R631-F634 PolarHBondContact O-N 3.45Å; R632-F634 VanDerWaalsContact C-N 3.28Å; F634-N636 PolarHBondContact O-N 3.26Å
635A52Low77.8Confident82 Ų8257.6 Ų57.668%0.67831%0.306SS*.THydrogen-bonded Turntrans-58.5137.3-172.500000113.4
636N61.6Low78.2Confident110 Ų11056.9 Ų56.959%0.58831%0.311SS*.THydrogen-bonded Turntrans74.524.7173.1-50.4-42.9000117.6F634 P683F634-N636 PolarHBondContact O-N 3.26Å; N636-P683 HydrophobicContact CB-CB 4.38Å
637E73.8Confident78.6Confident72 Ų7259.1 Ų59.134%0.33632%0.321SS..  trans-90.8122.8172.4-72.2-156.7136.300114R631 P683 P703R631-E637 IonicContact CZ-OE2 2.72Å; R631-E637 IonicContact NE-OE2 2.65Å; R631-E637 IonicContact NH1-OE2 3.13Å; R631-E637 PolarHBondContact NH1-OE2 2.92Å; E637-P683 CarbonylContact C-O 3.59Å; E637-P683 VanDerWaalsContact C-O 3.32Å; E637-P703 HydrophobicContact CB-CG 3.69Å; E637-P703 HydrophobicContact CG-CG 3.94Å
638P81.9Confident79Confident21 Ų2160.3 Ų60.314%0.13633%0.326CS..  trans-80.6141.4179.127.2-30.9000112.6W678 P683 P703P638-W678 HydrophobicContact CB-CH2 4.03Å; P638-W678 HydrophobicContact CB-CZ2 3.59Å; P638-P683 WeakPolarHBondContact CA-O 3.12Å; P638-P683 VanDerWaalsContact CB-O 3.31Å; P638-P683 WeakPolarHBondContact CB-O 3.44Å; P638-P683 WeakPolarHBondContact CD-O 3.42Å; P638-P703 VanDerWaalsContact O-CD 3.27Å; P638-P703 WeakPolarHBondContact O-CD 3.44Å
639A88Confident79.7Confident15 Ų1558.7 Ų58.712%0.12432%0.318CS..EExtended strand (participates in β ladder)trans-120.9138.3176.900000111.9G685 L686 L687 L704A639-G685 PolarHBondContact N-O 3.39Å; A639-L686 HydrophobicContact CB-CD1 3.77Å; A639-L687 PolarHBondContact O-N 2.86Å; A639-L704 HydrophobicContact CB-CB 4.12Å; A639-L704 HydrophobicContact CB-CD2 4.1Å; A639-L704 HydrophobicContact CB-CG 4.3Å
640V92.8Very high80.4Confident0 Ų060.6 Ų60.60%032%0.32CS..EExtended strand (participates in β ladder)trans-113.2137.1171.8-177.10000109.4W678 L687 V689 C699 I702 L704 L705 I706 L723V640-W678 HydrophobicContact CG2-CH2 3.64Å; V640-W678 HydrophobicContact CG2-CZ2 4.19Å; V640-W678 HydrophobicContact CG2-CZ3 4.45Å; V640-L687 HydrophobicContact CG2-CB 4.48Å; V640-L687 HydrophobicContact CG2-CD2 4.45Å; V640-V689 HydrophobicContact CG1-CG1 4.5Å; V640-V689 HydrophobicContact CG1-CG2 3.87Å; V640-C699 HydrophobicContact CG2-CB 4.26Å; V640-I702 HydrophobicContact CB-CD1 4.46Å; V640-I702 HydrophobicContact CG2-CD1 4.38Å; V640-I702 HydrophobicContact CG2-CG2 3.75Å; V640-L704 PolarHBondContact N-O 2.89Å; V640-L704 VanDerWaalsContact N-O 3.1Å; V640-L705 HydrophobicContact CB-CD1 4.25Å; V640-L705 HydrophobicContact CG1-CD1 4.34Å; V640-L705 CarbonylContact O-C 3.33Å; V640-L705 WeakPolarHBondContact O-CA 3.34Å; V640-I706 PolarHBondContact O-N 2.96Å; V640-L723 HydrophobicContact CG1-CD1 3.93Å
641M94.3Very high81.2Confident0 Ų060.5 Ų60.50%032%0.322CS..EExtended strand (participates in β ladder)trans-125.8124.2178.2179.4-175.4-6900110.8L624 L652 L686 L687 L688 V689 I706 Y708L624-M641 HydrophobicContact CD1-CE 3.35Å; L624-M641 HydrophobicContact CD2-CE 3.64Å; L624-M641 HydrophobicContact CG-CE 4.14Å; M641-L652 HydrophobicContact SD-CD2 3.43Å; M641-L652 WeakPolarHBondContact SD-CD2 3.5Å; M641-L652 HydrophobicContact SD-CG 4.47Å; M641-L686 HydrophobicContact CB-CD1 4.05Å; M641-L686 HydrophobicContact CE-CD1 4.32Å; M641-L686 HydrophobicContact CE-CD2 3.95Å; M641-L687 PolarHBondContact N-O 3.3Å; M641-L688 HydrophobicContact CB-CD2 3.98Å; M641-L688 HydrophobicContact CG-CD2 4.25Å; M641-L688 HydrophobicContact SD-CD2 3.64Å; M641-V689 PolarHBondContact O-N 3.38Å; M641-I706 CarbonylContact C-O 3.56Å; M641-I706 VanDerWaalsContact CA-O 3.28Å; M641-I706 WeakPolarHBondContact CA-O 3.38Å; M641-I706 HydrophobicContact CB-CB 4.17Å; M641-I706 HydrophobicContact CE-CB 4.12Å; M641-I706 HydrophobicContact CE-CD1 3.74Å; M641-I706 HydrophobicContact CE-CG2 3.96Å; M641-I706 HydrophobicContact CG-CB 4.05Å; M641-I706 HydrophobicContact CG-CG2 4.21Å; M641-Y708 HydrophobicContact SD-CD2 3.98Å; M641-Y708 HydrophobicContact SD-CG 4.31Å
642V96.2Very high82.3Confident0 Ų058.2 Ų58.20%031%0.314CS..EExtended strand (participates in β ladder)trans-101.8119-180-162.90000110.2V689 V694 L705 I706 Y708 R720V642-V689 WeakPolarHBondContact CA-O 3.33Å; V642-V689 HydrophobicContact CB-CG2 4.27Å; V642-V689 HydrophobicContact CG1-CG2 4.25Å; V642-V689 HydrophobicContact CG2-CG2 3.85Å; V642-V694 HydrophobicContact CG1-CG2 4.29Å; V642-V694 HydrophobicContact CG2-CG2 4.45Å; V642-L705 HydrophobicContact CG2-CD1 3.85Å; V642-I706 PolarHBondContact N-O 2.69Å; V642-Y708 PolarHBondContact O-N 3.26Å; V642-Y708 VanDerWaalsContact O-N 3.13Å; V642-R720 HydrophobicContact CB-CG 4.32Å; V642-R720 HydrophobicContact CG1-CG 4.08Å; V642-R720 VanDerWaalsContact CG1-NE 3.34Å; V642-R720 HydrophobicContact CG2-CB 4.37Å; V642-R720 HydrophobicContact CG2-CG 4.13Å; V642-R720 PolarHBondContact O-NH1 2.91Å
643C94.4Very high83.7Confident0 Ų054.2 Ų54.20%030%0.298CS..EExtended strand (participates in β ladder)trans-96.3162.1170-61.10000110.1E648 V649 V689C643-E648 HydrophobicContact CB-CB 4.26Å; C643-E648 HydrophobicContact CB-CG 4.03Å; C643-E648 WeakPolarHBondContact CB-OE2 3.1Å; C643-V649 HydrophobicContact CB-CG2 3.53Å; C643-V689 PolarHBondContact N-O 2.87Å
644S88.9Confident85.5Confident43 Ų4356.1 Ų56.130%0.30130%0.296SS..SBendtrans-70.3-36.3177.565.50000113.1E648S644-E648 WeakPolarHBondContact CB-OE2 3.34Å; S644-E648 PolarHBondContact N-OE2 3.14Å; S644-E648 PolarHBondContact OG-OE2 3.48Å
645N90Very high87.2Confident66 Ų6652.2 Ų52.235%0.35329%0.285SS..SBendtrans-151.9169-173.570.378.4000112.8T647 E648 V649N645-T647 WeakPolarHBondContact OD1-CA 3.4Å; N645-T647 VanDerWaalsContact OD1-CB 3.26Å; N645-T647 WeakPolarHBondContact OD1-CB 3.28Å; N645-T647 PolarHBondContact OD1-N 3.04Å; N645-E648 PolarHBondContact OD1-N 2.84Å; N645-V649 PolarHBondContact O-N 3.42Å
646S92.3Very high88.9Confident59 Ų5948.3 Ų48.341%0.41325%0.253SS..Hα-helixtrans-71.3-30-17649.80000114.3V649 L650S646-V649 PolarHBondContact O-N 3.03Å; S646-L650 WeakPolarHBondContact O-CG 3.43Å; S646-L650 PolarHBondContact O-N 3.34Å; S646-L650 VanDerWaalsContact O-N 3.08Å
647T92.9Very high90.1Very high87 Ų8747.2 Ų47.253%0.53424%0.244SC..Hα-helixtrans-65.5-43.6175.4-50.30000110.8N645 V649 L650 L651N645-T647 WeakPolarHBondContact OD1-CA 3.4Å; N645-T647 VanDerWaalsContact OD1-CB 3.26Å; N645-T647 WeakPolarHBondContact OD1-CB 3.28Å; N645-T647 PolarHBondContact OD1-N 3.04Å; T647-V649 PolarHBondContact O-N 3.47Å; T647-L650 PolarHBondContact O-N 3.2Å; T647-L651 HydrophobicContact CG2-CD1 4.28Å; T647-L651 WeakPolarHBondContact O-CG 3.43Å; T647-L651 PolarHBondContact O-N 3.45Å
648E92.7Very high90.7Very high27 Ų2748 Ų4813%0.12626%0.263CS..Hα-helixtrans-58.4-45173.9-174.8175.3-142.300111.3C643 S644 N645 L650 L651 L652 Y708 S709C643-E648 HydrophobicContact CB-CB 4.26Å; C643-E648 HydrophobicContact CB-CG 4.03Å; C643-E648 WeakPolarHBondContact CB-OE2 3.1Å; S644-E648 WeakPolarHBondContact CB-OE2 3.34Å; S644-E648 PolarHBondContact N-OE2 3.14Å; S644-E648 PolarHBondContact OG-OE2 3.48Å; N645-E648 PolarHBondContact OD1-N 2.84Å; E648-L650 VanDerWaalsContact C-N 3.33Å; E648-L650 PolarHBondContact O-N 2.86Å; E648-L651 PolarHBondContact O-N 3Å; E648-L652 WeakPolarHBondContact O-CB 3.36Å; E648-L652 PolarHBondContact O-N 2.63Å; E648-Y708 HydrophobicContact CG-CD1 4.36Å; E648-Y708 WeakPolarHBondContact OE1-CD1 3.43Å; E648-S709 WeakPolarHBondContact OE1-CB 3.47Å; E648-S709 PolarHBondContact OE1-OG 2.88Å
649V94.1Very high90.7Very high0 Ų049.8 Ų49.80%027%0.271CS..Hα-helixtrans-58.6-41.3174.7172.10000112.4C643 N645 S646 T647 R653 I665 V667 L688 T690C643-V649 HydrophobicContact CB-CG2 3.53Å; N645-V649 PolarHBondContact O-N 3.42Å; S646-V649 PolarHBondContact O-N 3.03Å; T647-V649 PolarHBondContact O-N 3.47Å; V649-R653 WeakPolarHBondContact O-CB 3.38Å; V649-R653 PolarHBondContact O-N 3.35Å; V649-I665 HydrophobicContact CG1-CB 4.42Å; V649-I665 HydrophobicContact CG1-CD1 3.73Å; V649-I665 HydrophobicContact CG1-CG1 3.72Å; V649-I665 HydrophobicContact CG1-CG2 3.94Å; V649-V667 HydrophobicContact CB-CG1 4.09Å; V649-V667 HydrophobicContact CG1-CG1 3.92Å; V649-V667 HydrophobicContact CG2-CG1 4.14Å; V649-L688 HydrophobicContact CG1-CB 3.72Å; V649-L688 HydrophobicContact CG1-CD1 4.15Å; V649-T690 HydrophobicContact CG2-CG2 4.13Å
650L92.1Very high90.3Very high96 Ų9651.9 Ų51.950%0.50329%0.294SS..Hα-helixtrans-71.7-40.3-179.5-71.6171.8000112.7S646 T647 E648 R654 I665S646-L650 WeakPolarHBondContact O-CG 3.43Å; S646-L650 PolarHBondContact O-N 3.34Å; S646-L650 VanDerWaalsContact O-N 3.08Å; T647-L650 PolarHBondContact O-N 3.2Å; E648-L650 VanDerWaalsContact C-N 3.33Å; E648-L650 PolarHBondContact O-N 2.86Å; L650-R654 WeakPolarHBondContact O-CG 3.26Å; L650-R654 PolarHBondContact O-N 3.12Å; L650-I665 HydrophobicContact CD2-CD1 4.15Å
651L91.7Very high89.8Confident97 Ų9752.7 Ų52.751%0.50830%0.299SS..Hα-helixtrans-65.1-48.2174.4-68.6172.9000110.6T647 E648 R653 R654 S655T647-L651 HydrophobicContact CG2-CD1 4.28Å; T647-L651 WeakPolarHBondContact O-CG 3.43Å; T647-L651 PolarHBondContact O-N 3.45Å; E648-L651 PolarHBondContact O-N 3Å; L651-R653 VanDerWaalsContact C-N 3.34Å; L651-R653 PolarHBondContact O-N 2.73Å; L651-R654 WeakPolarHBondContact O-CB 3.5Å; L651-R654 PolarHBondContact O-N 3.47Å; L651-R654 VanDerWaalsContact O-N 3.07Å; L651-S655 PolarHBondContact O-N 3.04Å; L651-S655 VanDerWaalsContact O-N 3.09Å; L651-S655 PolarHBondContact O-OG 3.25Å
652L91.6Very high89.1Confident5 Ų558.7 Ų58.73%0.02633%0.331CS..Hα-helixtrans-63.8-36.6-179.3-174.952.9000112.4I621 L624 M641 E648 R654 S655 L656 Y708I621-L652 HydrophobicContact CD1-CD1 3.5Å; L624-L652 HydrophobicContact CD2-CD1 4.29Å; M641-L652 HydrophobicContact SD-CD2 3.43Å; M641-L652 WeakPolarHBondContact SD-CD2 3.5Å; M641-L652 HydrophobicContact SD-CG 4.47Å; E648-L652 WeakPolarHBondContact O-CB 3.36Å; E648-L652 PolarHBondContact O-N 2.63Å; L652-R654 VanDerWaalsContact C-N 3.34Å; L652-R654 PolarHBondContact O-N 3.48Å; L652-S655 PolarHBondContact O-N 3.31Å; L652-L656 HydrophobicContact CD1-CD1 4.24Å; L652-L656 HydrophobicContact CD1-CG 4.3Å; L652-L656 HydrophobicContact CG-CD1 3.94Å; L652-L656 HydrophobicContact CG-CG 4.49Å; L652-L656 WeakPolarHBondContact O-CB 3.42Å; L652-L656 WeakPolarHBondContact O-CD1 3.43Å; L652-L656 VanDerWaalsContact O-CG 3.28Å; L652-L656 WeakPolarHBondContact O-CG 3.49Å; L652-L656 PolarHBondContact O-N 2.94Å; L652-Y708 HydrophobicContact CD1-CD2 4.34Å; L652-Y708 HydrophobicContact CD1-CE2 3.71Å; L652-Y708 HydrophobicContact CD2-CD1 3.98Å; L652-Y708 HydrophobicContact CD2-CD2 3.51Å; L652-Y708 HydrophobicContact CD2-CE1 4.17Å; L652-Y708 HydrophobicContact CD2-CE2 3.7Å; L652-Y708 HydrophobicContact CD2-CG 3.66Å; L652-Y708 HydrophobicContact CG-CE2 4.38Å
653R90.8Very high88.7Confident91 Ų9159.1 Ų59.134%0.34333%0.334SS..Hα-helixtrans-59.3-42.1171.3177.9171.2174.7172.35112.3V649 L651 L656 Q657 I665 L688V649-R653 WeakPolarHBondContact O-CB 3.38Å; V649-R653 PolarHBondContact O-N 3.35Å; L651-R653 VanDerWaalsContact C-N 3.34Å; L651-R653 PolarHBondContact O-N 2.73Å; R653-L656 PolarHBondContact O-N 3.39Å; R653-Q657 HydrophobicContact CG-CG 4.28Å; R653-Q657 WeakPolarHBondContact O-CB 3.25Å; R653-Q657 VanDerWaalsContact O-CG 3.28Å; R653-Q657 WeakPolarHBondContact O-CG 3.45Å; R653-Q657 PolarHBondContact O-N 3.37Å; R653-I665 HydrophobicContact CB-CD1 4.07Å; R653-I665 HydrophobicContact CG-CD1 4.29Å; R653-L688 HydrophobicContact CB-CD1 3.95Å
654R90.6Very high88.4Confident173 Ų17360.6 Ų60.665%0.65334%0.341SS*.Hα-helixtrans-63.3-45.9177.3-67.2171.5-177.8176.30.9110.8L650 L651 L652 L656 Q657 A658L650-R654 WeakPolarHBondContact O-CG 3.26Å; L650-R654 PolarHBondContact O-N 3.12Å; L651-R654 WeakPolarHBondContact O-CB 3.5Å; L651-R654 PolarHBondContact O-N 3.47Å; L651-R654 VanDerWaalsContact O-N 3.07Å; L652-R654 VanDerWaalsContact C-N 3.34Å; L652-R654 PolarHBondContact O-N 3.48Å; R654-L656 VanDerWaalsContact C-N 3.34Å; R654-L656 PolarHBondContact O-N 3.31Å; R654-Q657 PolarHBondContact O-N 3.2Å; R654-A658 WeakPolarHBondContact O-CB 3.48Å; R654-A658 PolarHBondContact O-N 3.33Å
655S88.8Confident88.6Confident52 Ų5259.3 Ų59.336%0.36433%0.331SS..Hα-helixtrans-59.7-42.4175.9-55.30000112.3L651 L652 A658 I659L651-S655 PolarHBondContact O-N 3.04Å; L651-S655 VanDerWaalsContact O-N 3.09Å; L651-S655 PolarHBondContact O-OG 3.25Å; L652-S655 PolarHBondContact O-N 3.31Å; S655-A658 PolarHBondContact O-N 2.86Å; S655-I659 PolarHBondContact O-N 3.02Å
656L87Confident88.6Confident0 Ų056.2 Ų56.20%031%0.314CS..Hα-helixtrans-66-43.2176.6-76163.8000112.6L624 I628 L652 R653 R654 A658 I659 G660 V661 A663 L686 L688L624-L656 HydrophobicContact CD2-CD2 3.92Å; L624-L656 HydrophobicContact CG-CD2 4.47Å; I628-L656 HydrophobicContact CD1-CD2 4.3Å; L652-L656 HydrophobicContact CD1-CD1 4.24Å; L652-L656 HydrophobicContact CD1-CG 4.3Å; L652-L656 HydrophobicContact CG-CD1 3.94Å; L652-L656 HydrophobicContact CG-CG 4.49Å; L652-L656 WeakPolarHBondContact O-CB 3.42Å; L652-L656 WeakPolarHBondContact O-CD1 3.43Å; L652-L656 VanDerWaalsContact O-CG 3.28Å; L652-L656 WeakPolarHBondContact O-CG 3.49Å; L652-L656 PolarHBondContact O-N 2.94Å; R653-L656 PolarHBondContact O-N 3.39Å; R654-L656 VanDerWaalsContact C-N 3.34Å; R654-L656 PolarHBondContact O-N 3.31Å; L656-A658 VanDerWaalsContact C-N 3.33Å; L656-A658 PolarHBondContact O-N 3.5Å; L656-I659 HydrophobicContact CD2-CD1 4.32Å; L656-I659 CarbonylContact O-C 3.58Å; L656-I659 WeakPolarHBondContact O-CG1 3.46Å; L656-I659 PolarHBondContact O-N 3.02Å; L656-I659 VanDerWaalsContact O-N 3.16Å; L656-G660 PolarHBondContact O-N 2.65Å; L656-V661 CarbonylContact C-O 3.32Å; L656-V661 VanDerWaalsContact C-O 3.29Å; L656-V661 HydrophobicContact CB-CB 4.2Å; L656-V661 HydrophobicContact CB-CG1 4.48Å; L656-V661 HydrophobicContact CD2-CB 3.89Å; L656-V661 HydrophobicContact CD2-CG1 3.83Å; L656-V661 HydrophobicContact CD2-CG2 4.41Å; L656-V661 PolarHBondContact O-N 2.93Å; L656-A663 HydrophobicContact CD1-CB 4.19Å; L656-L686 HydrophobicContact CD1-CD2 3.8Å; L656-L686 HydrophobicContact CD2-CD2 4.39Å; L656-L688 HydrophobicContact CD1-CD1 4.13Å; L656-L688 HydrophobicContact CD1-CD2 4.06Å
657Q87.4Confident88.5Confident88 Ų8855.4 Ų55.441%0.41131%0.306SS..Hα-helixtrans-63.6-38.9176.4-73.9177.4-56.500111.8R653 R654 I659 G660R653-Q657 HydrophobicContact CG-CG 4.28Å; R653-Q657 WeakPolarHBondContact O-CB 3.25Å; R653-Q657 VanDerWaalsContact O-CG 3.28Å; R653-Q657 WeakPolarHBondContact O-CG 3.45Å; R653-Q657 PolarHBondContact O-N 3.37Å; R654-Q657 PolarHBondContact O-N 3.2Å; Q657-I659 PolarHBondContact O-N 2.84Å; Q657-G660 PolarHBondContact O-N 2.9Å; Q657-G660 VanDerWaalsContact O-N 3.11Å
658A86.8Confident88.3Confident88 Ų8853.8 Ų53.873%0.72730%0.299SS*.Hα-helixtrans-62.9-23.2175.800000113.7R654 S655 L656R654-A658 WeakPolarHBondContact O-CB 3.48Å; R654-A658 PolarHBondContact O-N 3.33Å; S655-A658 PolarHBondContact O-N 2.86Å; L656-A658 VanDerWaalsContact C-N 3.33Å; L656-A658 PolarHBondContact O-N 3.5Å
659I81.3Confident87.9Confident58 Ų5857 Ų5730%0.29731%0.314SS..THydrogen-bonded Turntrans-103.916.1176.267.3166.4000113.2I621 K625 S655 L656 Q657 V661I621-I659 HydrophobicContact CG2-CD1 4.25Å; K625-I659 HydrophobicContact CD-CD1 4.22Å; K625-I659 HydrophobicContact CG-CD1 3.56Å; S655-I659 PolarHBondContact O-N 3.02Å; L656-I659 HydrophobicContact CD2-CD1 4.32Å; L656-I659 CarbonylContact O-C 3.58Å; L656-I659 WeakPolarHBondContact O-CG1 3.46Å; L656-I659 PolarHBondContact O-N 3.02Å; L656-I659 VanDerWaalsContact O-N 3.16Å; Q657-I659 PolarHBondContact O-N 2.84Å; I659-V661 HydrophobicContact CD1-CG2 4.23Å; I659-V661 HydrophobicContact CG1-CB 4.49Å; I659-V661 HydrophobicContact CG1-CG2 4.13Å; I659-V661 PolarHBondContact O-N 3.09Å
660G80.2Confident87.4Confident59 Ų5961.2 Ų61.261%0.60835%0.348SS*.THydrogen-bonded Turntrans72.923.9176.300000114.9L656 Q657L656-G660 PolarHBondContact O-N 2.65Å; Q657-G660 PolarHBondContact O-N 2.9Å; Q657-G660 VanDerWaalsContact O-N 3.11Å
661V81.1Confident87Confident17 Ų1757.9 Ų57.910%0.10333%0.333CS..  trans-105.9111.9174.1179.10000109.9I628 L656 I659I628-V661 HydrophobicContact CD1-CG1 4.13Å; I628-V661 HydrophobicContact CD1-CG2 4.2Å; I628-V661 HydrophobicContact CG2-CG2 4.42Å; L656-V661 CarbonylContact C-O 3.32Å; L656-V661 VanDerWaalsContact C-O 3.29Å; L656-V661 HydrophobicContact CB-CB 4.2Å; L656-V661 HydrophobicContact CB-CG1 4.48Å; L656-V661 HydrophobicContact CD2-CB 3.89Å; L656-V661 HydrophobicContact CD2-CG1 3.83Å; L656-V661 HydrophobicContact CD2-CG2 4.41Å; L656-V661 PolarHBondContact O-N 2.93Å; I659-V661 HydrophobicContact CD1-CG2 4.23Å; I659-V661 HydrophobicContact CG1-CB 4.49Å; I659-V661 HydrophobicContact CG1-CG2 4.13Å; I659-V661 PolarHBondContact O-N 3.09Å
662N80.6Confident86.8Confident127 Ų12756.2 Ų56.268%0.67932%0.32SS*.  trans-77.6130.4170.4-75-35000110.4
663A86.5Confident86.4Confident8 Ų859.6 Ų59.67%0.06634%0.344CS..EExtended strand (participates in β ladder)trans-134.4133.8177.800000111.2L656 L686 L688L656-A663 HydrophobicContact CD1-CB 4.19Å; A663-L686 CarbonylContact C-O 3.57Å; A663-L686 VanDerWaalsContact CA-O 3.27Å; A663-L686 WeakPolarHBondContact CA-O 3.43Å; A663-L686 HydrophobicContact CB-CB 4.08Å; A663-L686 HydrophobicContact CB-CD2 4.27Å; A663-L686 HydrophobicContact CB-CG 4.35Å; A663-L688 HydrophobicContact CB-CD1 4.11Å; A663-L688 HydrophobicContact CB-CD2 4.46Å; A663-L688 HydrophobicContact CB-CG 3.99Å
664H89.3Confident86Confident31 Ų3157.4 Ų57.414%0.14434%0.34CS..EExtended strand (participates in β ladder)trans-81.1158172.4-66.8-106.3000109.9W678 L686 L687 L688H664-W678 HydrophobicContact CB-CB 4.04Å; H664-W678 HydrophobicContact CB-CG 4.41Å; H664-W678 AromaticContact CD2-CD1 3.72Å; H664-L686 PolarHBondContact N-O 3.19Å; H664-L687 HydrophobicContact CB-CD1 3.85Å; H664-L688 PolarHBondContact O-N 2.87Å
665I91.9Very high85.8Confident17 Ų1749.6 Ų49.69%0.08731%0.311CS..EExtended strand (participates in β ladder)trans-123.3136.4-179.6-72.9-179.3000110.3V649 L650 R653 V667 N674 L688V649-I665 HydrophobicContact CG1-CB 4.42Å; V649-I665 HydrophobicContact CG1-CD1 3.73Å; V649-I665 HydrophobicContact CG1-CG1 3.72Å; V649-I665 HydrophobicContact CG1-CG2 3.94Å; L650-I665 HydrophobicContact CD2-CD1 4.15Å; R653-I665 HydrophobicContact CB-CD1 4.07Å; R653-I665 HydrophobicContact CG-CD1 4.29Å; I665-V667 HydrophobicContact CG2-CG1 3.81Å; I665-V667 HydrophobicContact CG2-CG2 4.3Å; I665-N674 WeakPolarHBondContact O-CB 3.17Å; I665-N674 PolarHBondContact O-ND2 2.72Å; I665-L688 WeakPolarHBondContact CA-O 3.4Å; I665-L688 HydrophobicContact CG1-CB 4.37Å; I665-L688 HydrophobicContact CG1-CD1 4.42Å
666C91.3Very high85.5Confident0 Ų049.8 Ų49.80%032%0.316CS..EExtended strand (participates in β ladder)trans-136.6100.7161.6-172.30000110.1C671 V675 L687 L688 V689 V693C666-C671 HydrophobicContact CB-CB 4.21Å; C666-C671 PolarHBondContact SG-O 2.79Å; C666-V675 HydrophobicContact CB-CG2 4Å; C666-L687 HydrophobicContact CB-CD1 4.33Å; C666-L688 PolarHBondContact N-O 2.88Å; C666-V689 HydrophobicContact CB-CG1 4.08Å; C666-V689 WeakPolarHBondContact O-CA 3.21Å; C666-V693 WeakPolarHBondContact O-CG2 3.44Å
667V90.3Very high85.2Confident42 Ų4253 Ų5326%0.25533%0.331SS..SBendtrans-107.3-9.9179.8-67.60000114.1V649 I665 T690V649-V667 HydrophobicContact CB-CG1 4.09Å; V649-V667 HydrophobicContact CG1-CG1 3.92Å; V649-V667 HydrophobicContact CG2-CG1 4.14Å; I665-V667 HydrophobicContact CG2-CG1 3.81Å; I665-V667 HydrophobicContact CG2-CG2 4.3Å; V667-T690 HydrophobicContact CB-CG2 4.48Å; V667-T690 HydrophobicContact CG1-CG2 4.11Å; V667-T690 PolarHBondContact O-OG1 3.43Å
668S89Confident85.2Confident54 Ų5448.9 Ų48.938%0.37831%0.311SS..SBendtrans-151.6167.5178.270.10000110.7A670 C671S668-A670 PolarHBondContact O-N 3.47Å; S668-C671 WeakPolarHBondContact O-CB 3.41Å; S668-C671 PolarHBondContact O-N 2.85Å
669E83.4Confident84.9Confident95 Ų9548.4 Ų48.444%0.44430%0.296SS..G310 helixtrans-61.4-29.3-178.9-53.4-149.6106.500113.1C671 Y672 R696E669-C671 PolarHBondContact O-N 3.45Å; E669-C671 VanDerWaalsContact O-N 3.17Å; E669-Y672 HydrophobicContact CB-CD2 3.94Å; E669-Y672 HydrophobicContact CB-CE2 3.49Å; E669-Y672 VanDerWaalsContact CB-CE2 3.49Å; E669-Y672 HydrophobicContact CG-CE2 3.67Å; E669-Y672 WeakPolarHBondContact O-CB 3.45Å; E669-Y672 WeakPolarHBondContact O-CD2 3.3Å; E669-Y672 PolarHBondContact O-N 3.4Å; E669-Y672 VanDerWaalsContact O-N 3.12Å; E669-Y672 WeakPolarHBondContact OE1-CE2 3.38Å; E669-Y672 PolarHBondContact OE1-OH 3.43Å; E669-R696 WeakPolarHBondContact OE1-CD 3.49Å; E669-R696 IonicContact OE1-CZ 3.56Å; E669-R696 IonicContact OE1-NE 3.46Å; E669-R696 IonicContact OE1-NH1 3.52Å; E669-R696 PolarHBondContact OE1-NH1 3.49Å; E669-R696 IonicContact OE2-NH1 2.46Å; E669-R696 PolarHBondContact OE2-NH1 3.29Å
670A83.6Confident84.7Confident87 Ų8753.7 Ų53.772%0.71931%0.312SS*.G310 helixtrans-62-20.5173.900000113.1S668S668-A670 PolarHBondContact O-N 3.47Å
671C84.7Confident84.1Confident27 Ų2756 Ų5618%0.18231%0.308CS..G310 helixtrans-93.59.2177.4-57.20000113.8C666 S668 E669 S673 N674C666-C671 HydrophobicContact CB-CB 4.21Å; C666-C671 PolarHBondContact SG-O 2.79Å; S668-C671 WeakPolarHBondContact O-CB 3.41Å; S668-C671 PolarHBondContact O-N 2.85Å; E669-C671 PolarHBondContact O-N 3.45Å; E669-C671 VanDerWaalsContact O-N 3.17Å; C671-S673 PolarHBondContact O-N 3.37Å; C671-N674 VanDerWaalsContact O-CB 3.28Å; C671-N674 WeakPolarHBondContact O-CB 3.3Å; C671-N674 PolarHBondContact O-N 2.93Å; C671-N674 VanDerWaalsContact O-N 3.09Å
672Y86Confident83.3Confident62 Ų6257.1 Ų57.124%0.24332%0.316CS..Hα-helixtrans-65-24.6178.8-71.5-35.6000113.6E669 N674 V675 V693 R696 L697E669-Y672 HydrophobicContact CB-CD2 3.94Å; E669-Y672 HydrophobicContact CB-CE2 3.49Å; E669-Y672 VanDerWaalsContact CB-CE2 3.49Å; E669-Y672 HydrophobicContact CG-CE2 3.67Å; E669-Y672 WeakPolarHBondContact O-CB 3.45Å; E669-Y672 WeakPolarHBondContact O-CD2 3.3Å; E669-Y672 PolarHBondContact O-N 3.4Å; E669-Y672 VanDerWaalsContact O-N 3.12Å; E669-Y672 WeakPolarHBondContact OE1-CE2 3.38Å; E669-Y672 PolarHBondContact OE1-OH 3.43Å; Y672-N674 VanDerWaalsContact C-N 3.25Å; Y672-N674 PolarHBondContact O-N 3.13Å; Y672-V675 WeakPolarHBondContact O-CB 3.35Å; Y672-V675 PolarHBondContact O-N 2.95Å; Y672-V675 VanDerWaalsContact O-N 3.15Å; Y672-V693 HydrophobicContact CE1-CB 4.11Å; Y672-V693 HydrophobicContact CE1-CG1 4.28Å; Y672-R696 WeakPolarHBondContact OH-CB 3.44Å; Y672-L697 HydrophobicContact CD1-CD1 4.05Å; Y672-L697 HydrophobicContact CE1-CD1 3.91Å
673S83.1Confident82.2Confident75 Ų7554 Ų5452%0.52430%0.303SS..Hα-helixtrans-53.7-41.8168.345.20000112.4C671 V675 A676 E677C671-S673 PolarHBondContact O-N 3.37Å; S673-V675 PolarHBondContact O-N 3.29Å; S673-A676 CarbonylContact O-C 3.57Å; S673-A676 PolarHBondContact O-N 3.45Å; S673-A676 VanDerWaalsContact O-N 3.1Å; S673-E677 PolarHBondContact O-N 2.7Å
674N83.6Confident81.1Confident46 Ų4657.4 Ų57.425%0.24633%0.326CS..Hα-helixtrans-62.7-25-179.2-54.3-1.5000112.3I665 C671 Y672 E677 W678I665-N674 WeakPolarHBondContact O-CB 3.17Å; I665-N674 PolarHBondContact O-ND2 2.72Å; C671-N674 VanDerWaalsContact O-CB 3.28Å; C671-N674 WeakPolarHBondContact O-CB 3.3Å; C671-N674 PolarHBondContact O-N 2.93Å; C671-N674 VanDerWaalsContact O-N 3.09Å; Y672-N674 VanDerWaalsContact C-N 3.25Å; Y672-N674 PolarHBondContact O-N 3.13Å; N674-E677 PolarHBondContact O-N 2.65Å; N674-W678 VanDerWaalsContact O-CB 3.27Å; N674-W678 WeakPolarHBondContact O-CB 3.21Å; N674-W678 PolarHBondContact O-N 3.45Å
675V85.9Confident80.4Confident8 Ų856.3 Ų56.35%0.04832%0.323CS..Hα-helixtrans-74.4-42.5176.4-171.20000110.4C666 Y672 S673 E677 W678 L679 L687 L697C666-V675 HydrophobicContact CB-CG2 4Å; Y672-V675 WeakPolarHBondContact O-CB 3.35Å; Y672-V675 PolarHBondContact O-N 2.95Å; Y672-V675 VanDerWaalsContact O-N 3.15Å; S673-V675 PolarHBondContact O-N 3.29Å; V675-E677 PolarHBondContact O-N 2.87Å; V675-W678 HydrophobicContact CG1-CE3 3.98Å; V675-W678 HydrophobicContact CG1-CZ3 4.25Å; V675-W678 PolarHBondContact O-N 3.03Å; V675-L679 HydrophobicContact CG1-CD1 4.39Å; V675-L679 WeakPolarHBondContact O-CB 3.19Å; V675-L679 VanDerWaalsContact O-CG 3.32Å; V675-L679 WeakPolarHBondContact O-CG 3.42Å; V675-L679 PolarHBondContact O-N 3.03Å; V675-L679 VanDerWaalsContact O-N 3.08Å; V675-L687 HydrophobicContact CG1-CD2 4.26Å; V675-L687 HydrophobicContact CG2-CD2 4.27Å; V675-L697 HydrophobicContact CG2-CD1 3.78Å
676A82Confident80.2Confident57 Ų5756 Ų5647%0.47132%0.322SS..Hα-helixtrans-73.6-10.8173.700000113.2S673 R680S673-A676 CarbonylContact O-C 3.57Å; S673-A676 PolarHBondContact O-N 3.45Å; S673-A676 VanDerWaalsContact O-N 3.1Å; A676-R680 PolarHBondContact O-NE 2.95Å; A676-R680 PolarHBondContact O-NH2 2.8Å
677E81.6Confident80.2Confident68 Ų6856 Ų5632%0.31832%0.322SS..Hα-helixtrans-87.5-50.9168.6-175.9169.4-127.200111.6S673 N674 V675 L679 R680 Q681S673-E677 PolarHBondContact O-N 2.7Å; N674-E677 PolarHBondContact O-N 2.65Å; V675-E677 PolarHBondContact O-N 2.87Å; E677-L679 PolarHBondContact O-N 3.01Å; E677-R680 WeakPolarHBondContact O-CA 3.39Å; E677-R680 WeakPolarHBondContact O-CB 3.41Å; E677-R680 PolarHBondContact O-N 3Å; E677-Q681 HydrophobicContact CG-CG 4.09Å; E677-Q681 VanDerWaalsContact CG-NE2 3.33Å; E677-Q681 VanDerWaalsContact CG-OE1 3.25Å; E677-Q681 PolarHBondContact O-N 3Å; E677-Q681 PolarHBondContact OE1-NE2 3.18Å
678W86.3Confident80.4Confident0 Ų054 Ų540%031%0.309CS..Hα-helixtrans-48.8-52.9173.5166.160.1000112.2P638 V640 H664 N674 V675 R680 Q681 S682 G685 L687 C699 I702P638-W678 HydrophobicContact CB-CH2 4.03Å; P638-W678 HydrophobicContact CB-CZ2 3.59Å; V640-W678 HydrophobicContact CG2-CH2 3.64Å; V640-W678 HydrophobicContact CG2-CZ2 4.19Å; V640-W678 HydrophobicContact CG2-CZ3 4.45Å; H664-W678 HydrophobicContact CB-CB 4.04Å; H664-W678 HydrophobicContact CB-CG 4.41Å; H664-W678 AromaticContact CD2-CD1 3.72Å; N674-W678 VanDerWaalsContact O-CB 3.27Å; N674-W678 WeakPolarHBondContact O-CB 3.21Å; N674-W678 PolarHBondContact O-N 3.45Å; V675-W678 HydrophobicContact CG1-CE3 3.98Å; V675-W678 HydrophobicContact CG1-CZ3 4.25Å; V675-W678 PolarHBondContact O-N 3.03Å; W678-R680 PolarHBondContact O-N 3.08Å; W678-Q681 PolarHBondContact O-N 3.45Å; W678-S682 CarbonylContact O-C 3.45Å; W678-S682 PolarHBondContact O-N 2.7Å; W678-G685 VanDerWaalsContact NE1-C 3.31Å; W678-G685 PolarHBondContact NE1-O 2.88Å; W678-L687 HydrophobicContact CD2-CB 3.83Å; W678-L687 HydrophobicContact CD2-CD2 4.26Å; W678-L687 HydrophobicContact CD2-CG 4.41Å; W678-L687 HydrophobicContact CE3-CB 4.16Å; W678-L687 HydrophobicContact CE3-CD2 3.75Å; W678-L687 HydrophobicContact CE3-CG 4.39Å; W678-L687 HydrophobicContact CG-CB 4.33Å; W678-L687 HydrophobicContact CH2-CB 4.17Å; W678-L687 HydrophobicContact CH2-CD2 4.24Å; W678-L687 HydrophobicContact CZ2-CB 3.81Å; W678-L687 HydrophobicContact CZ3-CB 4.34Å; W678-L687 HydrophobicContact CZ3-CD2 3.76Å; W678-C699 HydrophobicContact CH2-CB 4.18Å; W678-C699 HydrophobicContact CZ3-CB 3.89Å; W678-I702 HydrophobicContact CH2-CG2 4.29Å
679L80.8Confident80.7Confident78 Ų7851.4 Ų51.441%0.40829%0.291SS..Hα-helixtrans-61.1-14178-70.7172.4000114.7V675 E677V675-L679 HydrophobicContact CG1-CD1 4.39Å; V675-L679 WeakPolarHBondContact O-CB 3.19Å; V675-L679 VanDerWaalsContact O-CG 3.32Å; V675-L679 WeakPolarHBondContact O-CG 3.42Å; V675-L679 PolarHBondContact O-N 3.03Å; V675-L679 VanDerWaalsContact O-N 3.08Å; E677-L679 PolarHBondContact O-N 3.01Å
680R77.6Confident81.2Confident169 Ų16947 Ų4764%0.63827%0.271SS*.Hα-helixtrans-108.5-38.8-175.3-163.3-159.3-37.314116.3112.7A676 E677 W678A676-R680 PolarHBondContact O-NE 2.95Å; A676-R680 PolarHBondContact O-NH2 2.8Å; E677-R680 WeakPolarHBondContact O-CA 3.39Å; E677-R680 WeakPolarHBondContact O-CB 3.41Å; E677-R680 PolarHBondContact O-N 3Å; W678-R680 PolarHBondContact O-N 3.08Å
681Q68.7Low81.7Confident109 Ų10943.1 Ų43.151%0.50924%0.238SC..Hα-helixtrans-96.4-26.8-175.1-71.1175.8-1.800113.3E677 W678E677-Q681 HydrophobicContact CG-CG 4.09Å; E677-Q681 VanDerWaalsContact CG-NE2 3.33Å; E677-Q681 VanDerWaalsContact CG-OE1 3.25Å; E677-Q681 PolarHBondContact O-N 3Å; E677-Q681 PolarHBondContact OE1-NE2 3.18Å; W678-Q681 PolarHBondContact O-N 3.45Å
682S63.8Low82Confident40 Ų4046.5 Ų46.528%0.2825%0.254SS..  trans-146.680.6-177.2-71.10000111.5W678 S684 G685W678-S682 CarbonylContact O-C 3.45Å; W678-S682 PolarHBondContact O-N 2.7Å; S682-S684 PolarHBondContact O-N 3.21Å; S682-G685 WeakPolarHBondContact O-CA 3.45Å; S682-G685 PolarHBondContact O-N 2.98Å
683P57.1Low82.3Confident61 Ų6143.6 Ų43.640%0.39624%0.243SC..THydrogen-bonded Turntrans-57.8-27.2173.9-25.435.7000113.9N636 E637 P638N636-P683 HydrophobicContact CB-CB 4.38Å; E637-P683 CarbonylContact C-O 3.59Å; E637-P683 VanDerWaalsContact C-O 3.32Å; P638-P683 WeakPolarHBondContact CA-O 3.12Å; P638-P683 VanDerWaalsContact CB-O 3.31Å; P638-P683 WeakPolarHBondContact CB-O 3.44Å; P638-P683 WeakPolarHBondContact CD-O 3.42Å
684S62.3Low82.7Confident79 Ų7940.1 Ų40.155%0.55222%0.219SC*.THydrogen-bonded Turntrans-95.511.1172.449.50000114.1S682S682-S684 PolarHBondContact O-N 3.21Å
685G75.8Confident82.9Confident8 Ų841.9 Ų41.98%0.08223%0.233CC..  trans-80.7157.8-175.600000113.4A639 W678 S682A639-G685 PolarHBondContact N-O 3.39Å; W678-G685 VanDerWaalsContact NE1-C 3.31Å; W678-G685 PolarHBondContact NE1-O 2.88Å; S682-G685 WeakPolarHBondContact O-CA 3.45Å; S682-G685 PolarHBondContact O-N 2.98Å
686L87.2Confident82.9Confident11 Ų1149.3 Ų49.36%0.05826%0.26CS..EExtended strand (participates in β ladder)trans-91.4133.5172-174.464.2000110.9A639 M641 L656 A663 H664 L688A639-L686 HydrophobicContact CB-CD1 3.77Å; M641-L686 HydrophobicContact CB-CD1 4.05Å; M641-L686 HydrophobicContact CE-CD1 4.32Å; M641-L686 HydrophobicContact CE-CD2 3.95Å; L656-L686 HydrophobicContact CD1-CD2 3.8Å; L656-L686 HydrophobicContact CD2-CD2 4.39Å; A663-L686 CarbonylContact C-O 3.57Å; A663-L686 VanDerWaalsContact CA-O 3.27Å; A663-L686 WeakPolarHBondContact CA-O 3.43Å; A663-L686 HydrophobicContact CB-CB 4.08Å; A663-L686 HydrophobicContact CB-CD2 4.27Å; A663-L686 HydrophobicContact CB-CG 4.35Å; H664-L686 PolarHBondContact N-O 3.19Å; L686-L688 HydrophobicContact CD2-CD2 3.79Å; L686-L688 HydrophobicContact CG-CD2 4.01Å
687L91.9Very high83.2Confident0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-109.2117.9170.2-179.370000110.6A639 V640 M641 H664 C666 V675 W678 V689 L697A639-L687 PolarHBondContact O-N 2.86Å; V640-L687 HydrophobicContact CG2-CB 4.48Å; V640-L687 HydrophobicContact CG2-CD2 4.45Å; M641-L687 PolarHBondContact N-O 3.3Å; H664-L687 HydrophobicContact CB-CD1 3.85Å; C666-L687 HydrophobicContact CB-CD1 4.33Å; V675-L687 HydrophobicContact CG1-CD2 4.26Å; V675-L687 HydrophobicContact CG2-CD2 4.27Å; W678-L687 HydrophobicContact CD2-CB 3.83Å; W678-L687 HydrophobicContact CD2-CD2 4.26Å; W678-L687 HydrophobicContact CD2-CG 4.41Å; W678-L687 HydrophobicContact CE3-CB 4.16Å; W678-L687 HydrophobicContact CE3-CD2 3.75Å; W678-L687 HydrophobicContact CE3-CG 4.39Å; W678-L687 HydrophobicContact CG-CB 4.33Å; W678-L687 HydrophobicContact CH2-CB 4.17Å; W678-L687 HydrophobicContact CH2-CD2 4.24Å; W678-L687 HydrophobicContact CZ2-CB 3.81Å; W678-L687 HydrophobicContact CZ3-CB 4.34Å; W678-L687 HydrophobicContact CZ3-CD2 3.76Å; L687-V689 HydrophobicContact CD2-CG1 3.94Å; L687-V689 HydrophobicContact CG-CG1 3.84Å; L687-L697 HydrophobicContact CD2-CD2 4.44Å
688L94Very high83.3Confident0 Ų052.8 Ų52.80%026%0.264CS..EExtended strand (participates in β ladder)trans-90.6129.3174.1-51.5-179.6000110.5M641 V649 R653 L656 A663 H664 I665 C666 L686M641-L688 HydrophobicContact CB-CD2 3.98Å; M641-L688 HydrophobicContact CG-CD2 4.25Å; M641-L688 HydrophobicContact SD-CD2 3.64Å; V649-L688 HydrophobicContact CG1-CB 3.72Å; V649-L688 HydrophobicContact CG1-CD1 4.15Å; R653-L688 HydrophobicContact CB-CD1 3.95Å; L656-L688 HydrophobicContact CD1-CD1 4.13Å; L656-L688 HydrophobicContact CD1-CD2 4.06Å; A663-L688 HydrophobicContact CB-CD1 4.11Å; A663-L688 HydrophobicContact CB-CD2 4.46Å; A663-L688 HydrophobicContact CB-CG 3.99Å; H664-L688 PolarHBondContact O-N 2.87Å; I665-L688 WeakPolarHBondContact CA-O 3.4Å; I665-L688 HydrophobicContact CG1-CB 4.37Å; I665-L688 HydrophobicContact CG1-CD1 4.42Å; C666-L688 PolarHBondContact N-O 2.88Å; L686-L688 HydrophobicContact CD2-CD2 3.79Å; L686-L688 HydrophobicContact CG-CD2 4.01Å
689V95.5Very high83.1Confident0 Ų053 Ų530%027%0.266CS..EExtended strand (participates in β ladder)trans-138.5162.5-179.1-58.10000113.3V640 M641 V642 C643 C666 L687 V693 V694 L697V640-V689 HydrophobicContact CG1-CG1 4.5Å; V640-V689 HydrophobicContact CG1-CG2 3.87Å; M641-V689 PolarHBondContact O-N 3.38Å; V642-V689 WeakPolarHBondContact CA-O 3.33Å; V642-V689 HydrophobicContact CB-CG2 4.27Å; V642-V689 HydrophobicContact CG1-CG2 4.25Å; V642-V689 HydrophobicContact CG2-CG2 3.85Å; C643-V689 PolarHBondContact N-O 2.87Å; C666-V689 HydrophobicContact CB-CG1 4.08Å; C666-V689 WeakPolarHBondContact O-CA 3.21Å; L687-V689 HydrophobicContact CD2-CG1 3.94Å; L687-V689 HydrophobicContact CG-CG1 3.84Å; V689-V693 HydrophobicContact CB-CG2 3.76Å; V689-V693 HydrophobicContact CG1-CG2 4.15Å; V689-V694 HydrophobicContact CG2-CG2 4.39Å; V689-L697 HydrophobicContact CG1-CD2 3.84Å; V689-L697 HydrophobicContact CG2-CD2 4.44Å
690T94.8Very high83.2Confident3 Ų351.2 Ų51.22%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-101.6160.8167.250.60000111.3V649 V667 D692 V693V649-T690 HydrophobicContact CG2-CG2 4.13Å; V667-T690 HydrophobicContact CB-CG2 4.48Å; V667-T690 HydrophobicContact CG1-CG2 4.11Å; V667-T690 PolarHBondContact O-OG1 3.43Å; T690-D692 PolarHBondContact O-N 3.01Å; T690-D692 VanDerWaalsContact O-N 3.08Å; T690-V693 VanDerWaalsContact O-CG2 3.3Å; T690-V693 WeakPolarHBondContact O-CG2 3.42Å; T690-V693 PolarHBondContact O-N 3.47Å
691D93.4Very high83.6Confident4 Ų448 Ų482%0.02126%0.256CS..THydrogen-bonded Turntrans-56.5-21.1174.9-81.1-60.9000114.4P695 A711 R716 R720D691-P695 WeakPolarHBondContact O-CD 3.25Å; D691-A711 WeakPolarHBondContact OD2-CB 3.37Å; D691-R716 HydrophobicContact CB-CB 4.48Å; D691-R720 VanDerWaalsContact OD1-CG 3.26Å; D691-R720 WeakPolarHBondContact OD1-CG 3.41Å; D691-R720 IonicContact OD1-CZ 3.04Å; D691-R720 IonicContact OD1-NE 3.11Å; D691-R720 PolarHBondContact OD1-NE 3.14Å; D691-R720 IonicContact OD1-NH2 3.18Å; D691-R720 IonicContact OD2-CZ 2.69Å; D691-R720 IonicContact OD2-NE 3.77Å; D691-R720 PolarHBondContact OD2-NE 3.14Å; D691-R720 IonicContact OD2-NH2 3.94Å; D691-R720 PolarHBondContact OD2-NH2 3Å
692D91.5Very high84.5Confident98 Ų9842.9 Ų42.952%0.52423%0.232SC..THydrogen-bonded Turntrans-75.2-31.3-176.7-60.6-69.1000114T690 P695 R716T690-D692 PolarHBondContact O-N 3.01Å; T690-D692 VanDerWaalsContact O-N 3.08Å; D692-P695 WeakPolarHBondContact O-CD 3.26Å; D692-R716 IonicContact OD1-CZ 3.43Å; D692-R716 VanDerWaalsContact OD1-CZ 3.25Å; D692-R716 IonicContact OD1-NH1 2.96Å; D692-R716 PolarHBondContact OD1-NH1 3.28Å; D692-R716 IonicContact OD1-NH2 3.65Å; D692-R716 PolarHBondContact OD1-NH2 2.9Å; D692-R716 IonicContact OD2-NH2 2.75Å; D692-R716 PolarHBondContact OD2-NH2 3.3Å
693V92.2Very high85.6Confident2 Ų242.2 Ų42.21%0.01223%0.227CC..THydrogen-bonded Turntrans-83.7-26.8177.2-67.40000112.8C666 Y672 V689 T690 R696 L697C666-V693 WeakPolarHBondContact O-CG2 3.44Å; Y672-V693 HydrophobicContact CE1-CB 4.11Å; Y672-V693 HydrophobicContact CE1-CG1 4.28Å; V689-V693 HydrophobicContact CB-CG2 3.76Å; V689-V693 HydrophobicContact CG1-CG2 4.15Å; T690-V693 VanDerWaalsContact O-CG2 3.3Å; T690-V693 WeakPolarHBondContact O-CG2 3.42Å; T690-V693 PolarHBondContact O-N 3.47Å; V693-R696 PolarHBondContact O-N 3.41Å; V693-R696 VanDerWaalsContact O-N 3.16Å; V693-L697 HydrophobicContact CB-CD1 4.49Å; V693-L697 HydrophobicContact CG2-CD1 4.41Å; V693-L697 WeakPolarHBondContact O-CB 3.38Å; V693-L697 PolarHBondContact O-N 2.8Å; V693-L697 VanDerWaalsContact O-N 3.08Å
694V91.9Very high87.1Confident2 Ų239.6 Ų39.61%0.01221%0.21CC..G310 helixtrans-46-47.2-176.5169.50000114.1V642 V689 R696 L697 N719 L723V642-V694 HydrophobicContact CG1-CG2 4.29Å; V642-V694 HydrophobicContact CG2-CG2 4.45Å; V689-V694 HydrophobicContact CG2-CG2 4.39Å; V694-R696 PolarHBondContact O-N 3Å; V694-L697 PolarHBondContact O-N 3.11Å; V694-N719 WeakPolarHBondContact CG1-O 3.42Å; V694-L723 HydrophobicContact CG1-CG 4.44Å
695P86.8Confident88.6Confident83 Ų8335.9 Ų35.954%0.53918%0.183SC..G310 helixtrans-62-14.6-174.6-20.130.8000115.6D691 D692D691-P695 WeakPolarHBondContact O-CD 3.25Å; D692-P695 WeakPolarHBondContact O-CD 3.26Å
696R85.6Confident89.5Confident164 Ų16435.6 Ų35.662%0.61918%0.18SC*.G310 helixtrans-126.5-5.8-177.9-70.8174.8176.7-1704113.1E669 Y672 V693 V694E669-R696 WeakPolarHBondContact OE1-CD 3.49Å; E669-R696 IonicContact OE1-CZ 3.56Å; E669-R696 IonicContact OE1-NE 3.46Å; E669-R696 IonicContact OE1-NH1 3.52Å; E669-R696 PolarHBondContact OE1-NH1 3.49Å; E669-R696 IonicContact OE2-NH1 2.46Å; E669-R696 PolarHBondContact OE2-NH1 3.29Å; Y672-R696 WeakPolarHBondContact OH-CB 3.44Å; V693-R696 PolarHBondContact O-N 3.41Å; V693-R696 VanDerWaalsContact O-N 3.16Å; V694-R696 PolarHBondContact O-N 3Å
697L88.1Confident90Very high17 Ų1735 Ų359%0.08918%0.177CC..  trans-66.9134.9-175.8-162.570.4000111.2Y672 V675 L687 V689 V693 V694 C699 L723Y672-L697 HydrophobicContact CD1-CD1 4.05Å; Y672-L697 HydrophobicContact CE1-CD1 3.91Å; V675-L697 HydrophobicContact CG2-CD1 3.78Å; L687-L697 HydrophobicContact CD2-CD2 4.44Å; V689-L697 HydrophobicContact CG1-CD2 3.84Å; V689-L697 HydrophobicContact CG2-CD2 4.44Å; V693-L697 HydrophobicContact CB-CD1 4.49Å; V693-L697 HydrophobicContact CG2-CD1 4.41Å; V693-L697 WeakPolarHBondContact O-CB 3.38Å; V693-L697 PolarHBondContact O-N 2.8Å; V693-L697 VanDerWaalsContact O-N 3.08Å; V694-L697 PolarHBondContact O-N 3.11Å; L697-C699 WeakPolarHBondContact CD2-SG 3.43Å; L697-L723 HydrophobicContact CB-CD2 4.06Å; L697-L723 HydrophobicContact CD2-CD2 3.89Å; L697-L723 HydrophobicContact CG-CD2 4.37Å
698K85Confident90.1Very high181 Ų18135.4 Ų35.479%0.78718%0.179SC*.  trans-120.773.2-177.1-66.6179.8-175.51740111.4G700K698-G700 VanDerWaalsContact C-N 3.26Å; K698-G700 PolarHBondContact O-N 2.92Å
699C81.5Confident90Very high5 Ų536.5 Ų36.53%0.03419%0.186CC..  trans-74.8-2.4-178.1-65.40000115.5V640 W678 L697 I702V640-C699 HydrophobicContact CG2-CB 4.26Å; W678-C699 HydrophobicContact CH2-CB 4.18Å; W678-C699 HydrophobicContact CZ3-CB 3.89Å; L697-C699 WeakPolarHBondContact CD2-SG 3.43Å; C699-I702 HydrophobicContact CB-CG2 3.69Å
700G83.6Confident89.8Confident39 Ų3937.1 Ų37.140%0.40219%0.189SC..  trans66.7-149.5-165.500000110.9K698 A726K698-G700 VanDerWaalsContact C-N 3.26Å; K698-G700 PolarHBondContact O-N 2.92Å; G700-A726 WeakPolarHBondContact O-CB 3.04Å
701K85.4Confident89.6Confident103 Ų10337.1 Ų37.145%0.44819%0.189SC..  trans-82.1132.5177.2-63.8-170.1177.3-1760110.6A726 N727 S730K701-A726 HydrophobicContact CG-CB 4.32Å; K701-N727 VanDerWaalsContact CA-OD1 3.25Å; K701-N727 WeakPolarHBondContact CA-OD1 3.17Å; K701-S730 VanDerWaalsContact NZ-CB 3.27Å; K701-S730 PolarHBondContact NZ-OG 3.27Å
702I87.1Confident89.3Confident0 Ų041.9 Ų41.90%022%0.223CC..  trans-124.5112.4-179.154.4143.4000112.1V640 W678 C699 L704 L705 L723 F724 N727V640-I702 HydrophobicContact CB-CD1 4.46Å; V640-I702 HydrophobicContact CG2-CD1 4.38Å; V640-I702 HydrophobicContact CG2-CG2 3.75Å; W678-I702 HydrophobicContact CH2-CG2 4.29Å; C699-I702 HydrophobicContact CB-CG2 3.69Å; I702-L704 VanDerWaalsContact C-N 3.3Å; I702-L704 PolarHBondContact O-N 3.12Å; I702-L705 HydrophobicContact CD1-CB 4.22Å; I702-L705 HydrophobicContact CD1-CD1 4.4Å; I702-L723 HydrophobicContact CD1-CB 3.59Å; I702-L723 HydrophobicContact CG1-CB 4.28Å; I702-F724 HydrophobicContact CD1-CD1 4.2Å; I702-F724 HydrophobicContact CD1-CE1 4.07Å; I702-F724 HydrophobicContact CG1-CD1 4.15Å; I702-F724 HydrophobicContact CG1-CE1 4.31Å; I702-F724 WeakPolarHBondContact O-CE1 3.35Å; I702-N727 PolarHBondContact N-OD1 3.45Å; I702-N727 PolarHBondContact O-ND2 2.9Å
703P86.3Confident89.3Confident27 Ų2742.5 Ų42.518%0.17522%0.224CC..SBendtrans-75.9-11.117830-37.4000114.4R631 E637 P638 Q738R631-P703 PolarHBondContact NH2-O 2.72Å; E637-P703 HydrophobicContact CB-CG 3.69Å; E637-P703 HydrophobicContact CG-CG 3.94Å; P638-P703 VanDerWaalsContact O-CD 3.27Å; P638-P703 WeakPolarHBondContact O-CD 3.44Å; P703-Q738 PolarHBondContact O-N 3.49Å
704L89.4Confident89.3Confident6 Ų645.1 Ų45.13%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-139.8130176.9-176.555.8000112.8R631 A639 V640 I702 I706 Q738 V740R631-L704 HydrophobicContact CG-CD2 4.28Å; A639-L704 HydrophobicContact CB-CB 4.12Å; A639-L704 HydrophobicContact CB-CD2 4.1Å; A639-L704 HydrophobicContact CB-CG 4.3Å; V640-L704 PolarHBondContact N-O 2.89Å; V640-L704 VanDerWaalsContact N-O 3.1Å; I702-L704 VanDerWaalsContact C-N 3.3Å; I702-L704 PolarHBondContact O-N 3.12Å; L704-I706 HydrophobicContact CD1-CG1 4.13Å; L704-I706 HydrophobicContact CD2-CD1 4.01Å; L704-I706 HydrophobicContact CD2-CG1 4.13Å; L704-I706 HydrophobicContact CG-CD1 4.34Å; L704-I706 HydrophobicContact CG-CG1 3.93Å; L704-Q738 WeakPolarHBondContact CA-O 3.47Å; L704-Q738 HydrophobicContact CD1-CB 4.23Å; L704-Q738 HydrophobicContact CD1-CG 4.42Å; L704-V740 HydrophobicContact CD1-CG2 3.88Å
705L94.3Very high89.3Confident0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-119.8122.1167.9-177.461.8000109.5V640 V642 I702 H707 R720 L723 F724 Q738 S739 V740V640-L705 HydrophobicContact CB-CD1 4.25Å; V640-L705 HydrophobicContact CG1-CD1 4.34Å; V640-L705 CarbonylContact O-C 3.33Å; V640-L705 WeakPolarHBondContact O-CA 3.34Å; V642-L705 HydrophobicContact CG2-CD1 3.85Å; I702-L705 HydrophobicContact CD1-CB 4.22Å; I702-L705 HydrophobicContact CD1-CD1 4.4Å; L705-H707 VanDerWaalsContact CD2-NE2 3.35Å; L705-H707 WeakPolarHBondContact CD2-NE2 3.32Å; L705-R720 HydrophobicContact CD2-CB 4.32Å; L705-R720 WeakPolarHBondContact CD2-O 3.33Å; L705-L723 HydrophobicContact CD1-CD1 3.7Å; L705-F724 HydrophobicContact CB-CE1 4.29Å; L705-F724 HydrophobicContact CB-CE2 3.82Å; L705-F724 HydrophobicContact CB-CZ 3.43Å; L705-F724 VanDerWaalsContact CB-CZ 3.43Å; L705-F724 HydrophobicContact CD2-CD2 4.34Å; L705-F724 HydrophobicContact CD2-CE2 3.64Å; L705-F724 HydrophobicContact CD2-CZ 4.17Å; L705-F724 HydrophobicContact CG-CE2 4.4Å; L705-F724 HydrophobicContact CG-CZ 4.46Å; L705-Q738 PolarHBondContact N-O 3.09Å; L705-S739 CarbonylContact O-C 3.56Å; L705-S739 WeakPolarHBondContact O-CA 3.4Å; L705-V740 PolarHBondContact O-N 2.82Å
706I94.9Very high89.6Confident2 Ų247.5 Ų47.51%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-109128.5176.9-54.4170.9000109.5L624 V640 M641 V642 L704 V740 F742L624-I706 HydrophobicContact CD1-CD1 3.89Å; V640-I706 PolarHBondContact O-N 2.96Å; M641-I706 CarbonylContact C-O 3.56Å; M641-I706 VanDerWaalsContact CA-O 3.28Å; M641-I706 WeakPolarHBondContact CA-O 3.38Å; M641-I706 HydrophobicContact CB-CB 4.17Å; M641-I706 HydrophobicContact CE-CB 4.12Å; M641-I706 HydrophobicContact CE-CD1 3.74Å; M641-I706 HydrophobicContact CE-CG2 3.96Å; M641-I706 HydrophobicContact CG-CB 4.05Å; M641-I706 HydrophobicContact CG-CG2 4.21Å; V642-I706 PolarHBondContact N-O 2.69Å; L704-I706 HydrophobicContact CD1-CG1 4.13Å; L704-I706 HydrophobicContact CD2-CD1 4.01Å; L704-I706 HydrophobicContact CD2-CG1 4.13Å; L704-I706 HydrophobicContact CG-CD1 4.34Å; L704-I706 HydrophobicContact CG-CG1 3.93Å; I706-V740 CarbonylContact C-O 3.59Å; I706-V740 WeakPolarHBondContact CA-O 3.32Å; I706-F742 HydrophobicContact CG2-CZ 4.46Å
707H95.9Very high90Very high0 Ų039.7 Ų39.70%022%0.217CC..EExtended strand (participates in β ladder)trans-102.891.4174.5-55.7-129.6000106.8L705 S709 F717 R720 F721 S739 V740 V741 F742L705-H707 VanDerWaalsContact CD2-NE2 3.35Å; L705-H707 WeakPolarHBondContact CD2-NE2 3.32Å; H707-S709 VanDerWaalsContact C-N 3.31Å; H707-S709 PolarHBondContact O-N 2.8Å; H707-F717 HydrophobicContact CB-CE2 4.29Å; H707-F717 AromaticContact CE1-CE2 3.89Å; H707-F717 AromaticContact CG-CE2 3.98Å; H707-F717 AromaticContact ND1-CD2 3.66Å; H707-F717 AromaticContact ND1-CE2 3.19Å; H707-F717 WeakPolarHBondContact ND1-CE2 3.49Å; H707-F717 AromaticContact ND1-CZ 3.8Å; H707-R720 VanDerWaalsContact ND1-CD 3.34Å; H707-R720 WeakPolarHBondContact ND1-CD 3.33Å; H707-F721 AromaticContact CE1-CE2 3.4Å; H707-F721 WeakPolarHBondContact CE1-CE2 3.37Å; H707-F721 AromaticContact CE1-CZ 3.7Å; H707-F721 AromaticContact NE2-CE2 3.93Å; H707-F721 AromaticContact NE2-CZ 3.78Å; H707-S739 PolarHBondContact NE2-OG 3.49Å; H707-S739 VanDerWaalsContact NE2-OG 3.07Å; H707-V740 PolarHBondContact N-O 3.24Å; H707-V741 HydrophobicContact CB-CB 4.4Å; H707-V741 HydrophobicContact CB-CG1 4.24Å; H707-V741 HydrophobicContact CB-CG2 4.23Å; H707-F742 PolarHBondContact O-N 3.31Å
708Y94.5Very high90.3Very high8 Ų839.9 Ų39.93%0.03122%0.217CC..SBendtrans-68.2-32.8-171.7-174-88.9000113E617 K620 L624 M641 V642 E648 L652 F742E617-Y708 VanDerWaalsContact OE2-CE1 3.26Å; E617-Y708 WeakPolarHBondContact OE2-CE1 3.38Å; E617-Y708 VanDerWaalsContact OE2-CZ 3.31Å; E617-Y708 PolarHBondContact OE2-OH 3.43Å; K620-Y708 HydrophobicContact CB-CE2 4.11Å; K620-Y708 HydrophobicContact CD-CD1 4.48Å; K620-Y708 HydrophobicContact CD-CE1 3.85Å; K620-Y708 HydrophobicContact CD-CE2 4.07Å; K620-Y708 WeakPolarHBondContact CE-O 3.49Å; K620-Y708 PolarHBondContact NZ-O 2.99Å; L624-Y708 HydrophobicContact CD2-CE2 4.42Å; M641-Y708 HydrophobicContact SD-CD2 3.98Å; M641-Y708 HydrophobicContact SD-CG 4.31Å; V642-Y708 PolarHBondContact O-N 3.26Å; V642-Y708 VanDerWaalsContact O-N 3.13Å; E648-Y708 HydrophobicContact CG-CD1 4.36Å; E648-Y708 WeakPolarHBondContact OE1-CD1 3.43Å; L652-Y708 HydrophobicContact CD1-CD2 4.34Å; L652-Y708 HydrophobicContact CD1-CE2 3.71Å; L652-Y708 HydrophobicContact CD2-CD1 3.98Å; L652-Y708 HydrophobicContact CD2-CD2 3.51Å; L652-Y708 HydrophobicContact CD2-CE1 4.17Å; L652-Y708 HydrophobicContact CD2-CE2 3.7Å; L652-Y708 HydrophobicContact CD2-CG 3.66Å; L652-Y708 HydrophobicContact CG-CE2 4.38Å; Y708-F742 AromaticContact CD2-CD2 3.93Å; Y708-F742 HydrophobicContact CD2-CD2 3.93Å; Y708-F742 HydrophobicContact CD2-CE2 4.06Å; Y708-F742 HydrophobicContact CE2-CD2 4.28Å; Y708-F742 HydrophobicContact CE2-CE2 4.3Å
709S92.1Very high90.7Very high22 Ų2233.5 Ų33.515%0.15419%0.192CC..SBendtrans-145.2155.1169.5-68.20000108.2K620 E648 H707 R720K620-S709 PolarHBondContact NZ-OG 2.97Å; K620-S709 VanDerWaalsContact NZ-OG 3.14Å; E648-S709 WeakPolarHBondContact OE1-CB 3.47Å; E648-S709 PolarHBondContact OE1-OG 2.88Å; H707-S709 VanDerWaalsContact C-N 3.31Å; H707-S709 PolarHBondContact O-N 2.8Å; S709-R720 PolarHBondContact O-NH1 3.19Å; S709-R720 PolarHBondContact O-NH2 2.97Å
710F92.1Very high91.4Very high13 Ų1333.3 Ų33.36%0.05719%0.19CC..  trans-61.1163.9177.6-76.8-77.1000113F717 R720 V741 A743 D747 N750 L754F710-F717 AromaticContact CD1-CD2 3.71Å; F710-F717 HydrophobicContact CD1-CD2 3.71Å; F710-F717 AromaticContact CD1-CE2 3.69Å; F710-F717 HydrophobicContact CD1-CE2 3.69Å; F710-F717 HydrophobicContact CD1-CG 4.48Å; F710-F717 HydrophobicContact CD1-CZ 4.47Å; F710-F717 HydrophobicContact CE1-CD2 4.23Å; F710-F717 AromaticContact CE1-CE2 3.77Å; F710-F717 HydrophobicContact CE1-CE2 3.77Å; F710-F717 HydrophobicContact CE1-CZ 4.17Å; F710-R720 PolarHBondContact O-NH2 3.27Å; F710-V741 HydrophobicContact CE1-CG1 3.84Å; F710-V741 HydrophobicContact CZ-CG1 3.8Å; F710-A743 HydrophobicContact CE2-CB 3.57Å; F710-A743 HydrophobicContact CZ-CB 3.89Å; F710-D747 HydrophobicContact CD2-CB 3.77Å; F710-D747 WeakPolarHBondContact CD2-OD2 3.49Å; F710-D747 HydrophobicContact CE2-CB 3.6Å; F710-N750 HydrophobicContact CD1-CB 3.63Å; F710-N750 HydrophobicContact CD2-CB 3.94Å; F710-N750 HydrophobicContact CE1-CB 3.61Å; F710-N750 HydrophobicContact CE2-CB 3.89Å; F710-N750 HydrophobicContact CG-CB 3.8Å; F710-N750 HydrophobicContact CZ-CB 3.74Å; F710-L754 HydrophobicContact CE1-CD1 3.82Å; F710-L754 HydrophobicContact CZ-CD1 3.67Å
711A91.1Very high91.9Very high4 Ų431.6 Ų31.63%0.03317%0.172CC..  trans-84.3151.616900000109.7D691 M713 R716 F717D691-A711 WeakPolarHBondContact OD2-CB 3.37Å; A711-M713 PolarHBondContact O-N 3.4Å; A711-R716 HydrophobicContact CB-CB 3.8Å; A711-F717 HydrophobicContact CB-CB 3.89Å
712S87Confident92.3Very high103 Ų10327.5 Ų27.572%0.7216%0.157SC*.SBendtrans-59-17.7175.555.10000114.6
713M90.7Very high92.5Very high112 Ų11227.9 Ų27.955%0.55216%0.159SC*.SBendtrans-139.9139.6175.9-67.8-174.4-77.300111A711 A715 R716 F717A711-M713 PolarHBondContact O-N 3.4Å; M713-A715 PolarHBondContact O-N 2.77Å; M713-A715 VanDerWaalsContact O-N 3.15Å; M713-R716 HydrophobicContact CE-CG 4.33Å; M713-R716 PolarHBondContact O-N 3.33Å; M713-F717 PolarHBondContact O-N 3.07Å
714W92.3Very high92.8Very high56 Ų5626.6 Ų26.621%0.21215%0.15CC..Hα-helixtrans-54.7-34.7176.9-174.4-125.5000113.2L599 R716 F717 K718 K753 L754L599-W714 HydrophobicContact CD2-CH2 4.42Å; L599-W714 HydrophobicContact CD2-CZ2 4.17Å; W714-R716 PolarHBondContact O-N 3.47Å; W714-F717 HydrophobicContact CE3-CB 4.25Å; W714-F717 AromaticContact CE3-CD1 3.66Å; W714-F717 HydrophobicContact CE3-CD1 3.66Å; W714-F717 HydrophobicContact CE3-CE1 4.35Å; W714-F717 HydrophobicContact CE3-CG 4.16Å; W714-F717 AromaticContact CH2-CD1 3.87Å; W714-F717 HydrophobicContact CH2-CD1 3.87Å; W714-F717 AromaticContact CH2-CE1 3.82Å; W714-F717 HydrophobicContact CH2-CE1 3.82Å; W714-F717 AromaticContact CZ3-CD1 3.28Å; W714-F717 HydrophobicContact CZ3-CD1 3.28Å; W714-F717 AromaticContact CZ3-CE1 3.51Å; W714-F717 HydrophobicContact CZ3-CE1 3.51Å; W714-F717 HydrophobicContact CZ3-CG 4.08Å; W714-F717 HydrophobicContact CZ3-CZ 4.44Å; W714-F717 PolarHBondContact O-N 3.39Å; W714-K718 HydrophobicContact CD2-CG 4.3Å; W714-K718 HydrophobicContact CZ2-CD 4.2Å; W714-K718 HydrophobicContact CZ2-CG 4.26Å; W714-K718 WeakPolarHBondContact O-CG 3.2Å; W714-K718 PolarHBondContact O-N 2.95Å; W714-K753 HydrophobicContact CB-CD 3.96Å; W714-K753 HydrophobicContact CD2-CB 4.02Å; W714-K753 HydrophobicContact CD2-CD 3.88Å; W714-K753 HydrophobicContact CE3-CB 4Å; W714-K753 HydrophobicContact CE3-CD 4.14Å; W714-K753 HydrophobicContact CG-CD 3.8Å; W714-K753 HydrophobicContact CH2-CB 4Å; W714-K753 HydrophobicContact CZ2-CB 4Å; W714-K753 HydrophobicContact CZ3-CB 3.98Å; W714-L754 HydrophobicContact CH2-CD2 4.06Å; W714-L754 HydrophobicContact CH2-CG 4.29Å; W714-L754 HydrophobicContact CZ3-CD2 4.47Å; W714-L754 HydrophobicContact CZ3-CG 4.43Å
715A90.9Very high92.8Very high70 Ų7026.8 Ų26.858%0.57915%0.151SC*.Hα-helixtrans-63.1-39.3174.600000113.1M713 N719M713-A715 PolarHBondContact O-N 2.77Å; M713-A715 VanDerWaalsContact O-N 3.15Å; A715-N719 WeakPolarHBondContact O-CB 3.44Å; A715-N719 PolarHBondContact O-N 3.4Å
716R92.9Very high92.4Very high65 Ų6527.9 Ų27.925%0.24516%0.159CC..Hα-helixtrans-69.4-43.5175-74.7172.766.7114.6-13.9110.7D691 D692 A711 M713 W714 K718 N719 R720D691-R716 HydrophobicContact CB-CB 4.48Å; D692-R716 IonicContact OD1-CZ 3.43Å; D692-R716 VanDerWaalsContact OD1-CZ 3.25Å; D692-R716 IonicContact OD1-NH1 2.96Å; D692-R716 PolarHBondContact OD1-NH1 3.28Å; D692-R716 IonicContact OD1-NH2 3.65Å; D692-R716 PolarHBondContact OD1-NH2 2.9Å; D692-R716 IonicContact OD2-NH2 2.75Å; D692-R716 PolarHBondContact OD2-NH2 3.3Å; A711-R716 HydrophobicContact CB-CB 3.8Å; M713-R716 HydrophobicContact CE-CG 4.33Å; M713-R716 PolarHBondContact O-N 3.33Å; W714-R716 PolarHBondContact O-N 3.47Å; R716-K718 PolarHBondContact O-N 3.46Å; R716-N719 WeakPolarHBondContact O-CB 3.45Å; R716-N719 PolarHBondContact O-N 2.94Å; R716-R720 PolarHBondContact O-N 3.39Å
717F95.3Very high92Very high0 Ų028.3 Ų28.30%016%0.162CC..Hα-helixtrans-55.9-48.4174.7176.8-92.7000112.1H707 F710 A711 M713 W714 N719 R720 F721 V741 L754H707-F717 HydrophobicContact CB-CE2 4.29Å; H707-F717 AromaticContact CE1-CE2 3.89Å; H707-F717 AromaticContact CG-CE2 3.98Å; H707-F717 AromaticContact ND1-CD2 3.66Å; H707-F717 AromaticContact ND1-CE2 3.19Å; H707-F717 WeakPolarHBondContact ND1-CE2 3.49Å; H707-F717 AromaticContact ND1-CZ 3.8Å; F710-F717 AromaticContact CD1-CD2 3.71Å; F710-F717 HydrophobicContact CD1-CD2 3.71Å; F710-F717 AromaticContact CD1-CE2 3.69Å; F710-F717 HydrophobicContact CD1-CE2 3.69Å; F710-F717 HydrophobicContact CD1-CG 4.48Å; F710-F717 HydrophobicContact CD1-CZ 4.47Å; F710-F717 HydrophobicContact CE1-CD2 4.23Å; F710-F717 AromaticContact CE1-CE2 3.77Å; F710-F717 HydrophobicContact CE1-CE2 3.77Å; F710-F717 HydrophobicContact CE1-CZ 4.17Å; A711-F717 HydrophobicContact CB-CB 3.89Å; M713-F717 PolarHBondContact O-N 3.07Å; W714-F717 HydrophobicContact CE3-CB 4.25Å; W714-F717 AromaticContact CE3-CD1 3.66Å; W714-F717 HydrophobicContact CE3-CD1 3.66Å; W714-F717 HydrophobicContact CE3-CE1 4.35Å; W714-F717 HydrophobicContact CE3-CG 4.16Å; W714-F717 AromaticContact CH2-CD1 3.87Å; W714-F717 HydrophobicContact CH2-CD1 3.87Å; W714-F717 AromaticContact CH2-CE1 3.82Å; W714-F717 HydrophobicContact CH2-CE1 3.82Å; W714-F717 AromaticContact CZ3-CD1 3.28Å; W714-F717 HydrophobicContact CZ3-CD1 3.28Å; W714-F717 AromaticContact CZ3-CE1 3.51Å; W714-F717 HydrophobicContact CZ3-CE1 3.51Å; W714-F717 HydrophobicContact CZ3-CG 4.08Å; W714-F717 HydrophobicContact CZ3-CZ 4.44Å; W714-F717 PolarHBondContact O-N 3.39Å; F717-N719 VanDerWaalsContact C-N 3.31Å; F717-N719 PolarHBondContact O-N 3.34Å; F717-R720 VanDerWaalsContact O-CB 3.28Å; F717-R720 WeakPolarHBondContact O-CB 3.19Å; F717-R720 WeakPolarHBondContact O-CG 3.35Å; F717-R720 PolarHBondContact O-N 3.36Å; F717-F721 HydrophobicContact CD1-CE2 4.36Å; F717-F721 AromaticContact CE1-CE2 3.82Å; F717-F721 HydrophobicContact CE1-CE2 3.82Å; F717-F721 HydrophobicContact CE1-CZ 4.46Å; F717-F721 HydrophobicContact CZ-CE2 4.13Å; F717-V741 HydrophobicContact CE2-CG1 4.23Å; F717-V741 HydrophobicContact CE2-CG2 4.27Å; F717-V741 HydrophobicContact CZ-CG1 4.44Å; F717-V741 HydrophobicContact CZ-CG2 3.94Å; F717-L754 HydrophobicContact CE1-CD2 4.27Å; F717-L754 HydrophobicContact CZ-CD2 4.29Å
718K94.7Very high91.2Very high21 Ų2129 Ų299%0.09117%0.165CC..Hα-helixtrans-63.5-36.3175.9-68.5-166.2-66.2174.20112.4N417 D597 L599 W714 R716 R720 F721N417-K718 PolarHBondContact OD1-NZ 3.4Å; D597-K718 WeakPolarHBondContact OD2-CE 3.36Å; D597-K718 IonicContact OD2-NZ 3.49Å; D597-K718 PolarHBondContact OD2-NZ 3.24Å; L599-K718 HydrophobicContact CB-CB 4.05Å; L599-K718 HydrophobicContact CB-CD 4.1Å; L599-K718 HydrophobicContact CB-CG 3.91Å; L599-K718 HydrophobicContact CD2-CD 3.91Å; L599-K718 HydrophobicContact CD2-CG 3.77Å; W714-K718 HydrophobicContact CD2-CG 4.3Å; W714-K718 HydrophobicContact CZ2-CD 4.2Å; W714-K718 HydrophobicContact CZ2-CG 4.26Å; W714-K718 WeakPolarHBondContact O-CG 3.2Å; W714-K718 PolarHBondContact O-N 2.95Å; R716-K718 PolarHBondContact O-N 3.46Å; K718-R720 PolarHBondContact O-N 3.33Å; K718-F721 WeakPolarHBondContact O-CB 3.39Å; K718-F721 PolarHBondContact O-N 2.98Å
719N93.3Very high90.2Very high48 Ų4833.1 Ų33.126%0.25718%0.183SC..Hα-helixtrans-64.7-22.8176.7-171.264.9000113.8V694 A715 R716 F717 F721 S722V694-N719 WeakPolarHBondContact CG1-O 3.42Å; A715-N719 WeakPolarHBondContact O-CB 3.44Å; A715-N719 PolarHBondContact O-N 3.4Å; R716-N719 WeakPolarHBondContact O-CB 3.45Å; R716-N719 PolarHBondContact O-N 2.94Å; F717-N719 VanDerWaalsContact C-N 3.31Å; F717-N719 PolarHBondContact O-N 3.34Å; N719-F721 PolarHBondContact O-N 3.14Å; N719-S722 VanDerWaalsContact O-CB 3.25Å; N719-S722 WeakPolarHBondContact O-CB 3.21Å; N719-S722 PolarHBondContact O-N 2.92Å; N719-S722 PolarHBondContact O-OG 2.82Å
720R95.1Very high88.8Confident0 Ų034.4 Ų34.40%019%0.193CC..G310 helixtrans-55.1-33.2172.3-61.7178.4177.1-169.80.3112.8V642 D691 L705 H707 S709 F710 R716 F717 K718 S722 L723V642-R720 HydrophobicContact CB-CG 4.32Å; V642-R720 HydrophobicContact CG1-CG 4.08Å; V642-R720 VanDerWaalsContact CG1-NE 3.34Å; V642-R720 HydrophobicContact CG2-CB 4.37Å; V642-R720 HydrophobicContact CG2-CG 4.13Å; V642-R720 PolarHBondContact O-NH1 2.91Å; D691-R720 VanDerWaalsContact OD1-CG 3.26Å; D691-R720 WeakPolarHBondContact OD1-CG 3.41Å; D691-R720 IonicContact OD1-CZ 3.04Å; D691-R720 IonicContact OD1-NE 3.11Å; D691-R720 PolarHBondContact OD1-NE 3.14Å; D691-R720 IonicContact OD1-NH2 3.18Å; D691-R720 IonicContact OD2-CZ 2.69Å; D691-R720 IonicContact OD2-NE 3.77Å; D691-R720 PolarHBondContact OD2-NE 3.14Å; D691-R720 IonicContact OD2-NH2 3.94Å; D691-R720 PolarHBondContact OD2-NH2 3Å; L705-R720 HydrophobicContact CD2-CB 4.32Å; L705-R720 WeakPolarHBondContact CD2-O 3.33Å; H707-R720 VanDerWaalsContact ND1-CD 3.34Å; H707-R720 WeakPolarHBondContact ND1-CD 3.33Å; S709-R720 PolarHBondContact O-NH1 3.19Å; S709-R720 PolarHBondContact O-NH2 2.97Å; F710-R720 PolarHBondContact O-NH2 3.27Å; R716-R720 PolarHBondContact O-N 3.39Å; F717-R720 VanDerWaalsContact O-CB 3.28Å; F717-R720 WeakPolarHBondContact O-CB 3.19Å; F717-R720 WeakPolarHBondContact O-CG 3.35Å; F717-R720 PolarHBondContact O-N 3.36Å; K718-R720 PolarHBondContact O-N 3.33Å; R720-S722 PolarHBondContact O-N 3.4Å; R720-L723 WeakPolarHBondContact O-CG 3.49Å; R720-L723 PolarHBondContact O-N 3.07Å
721F94.5Very high87.1Confident3 Ų338 Ų381%0.01322%0.217CC..G310 helixtrans-69.2-12.4178.7-69.3-95.7000113.7A598 L599 L609 H707 F717 K718 N719 L723 F724 S739A598-F721 HydrophobicContact CB-CB 4.05Å; A598-F721 WeakPolarHBondContact O-CB 3.32Å; L599-F721 HydrophobicContact CB-CD2 4.17Å; L599-F721 HydrophobicContact CB-CG 4.35Å; L599-F721 HydrophobicContact CD1-CD1 3.92Å; L599-F721 HydrophobicContact CD1-CD2 3.98Å; L599-F721 HydrophobicContact CD1-CE1 3.71Å; L599-F721 HydrophobicContact CD1-CE2 3.78Å; L599-F721 HydrophobicContact CD1-CG 4.06Å; L599-F721 HydrophobicContact CD1-CZ 3.66Å; L609-F721 HydrophobicContact CD1-CZ 4.25Å; H707-F721 AromaticContact CE1-CE2 3.4Å; H707-F721 WeakPolarHBondContact CE1-CE2 3.37Å; H707-F721 AromaticContact CE1-CZ 3.7Å; H707-F721 AromaticContact NE2-CE2 3.93Å; H707-F721 AromaticContact NE2-CZ 3.78Å; F717-F721 HydrophobicContact CD1-CE2 4.36Å; F717-F721 AromaticContact CE1-CE2 3.82Å; F717-F721 HydrophobicContact CE1-CE2 3.82Å; F717-F721 HydrophobicContact CE1-CZ 4.46Å; F717-F721 HydrophobicContact CZ-CE2 4.13Å; K718-F721 WeakPolarHBondContact O-CB 3.39Å; K718-F721 PolarHBondContact O-N 2.98Å; N719-F721 PolarHBondContact O-N 3.14Å; F721-L723 PolarHBondContact O-N 3.44Å; F721-L723 VanDerWaalsContact O-N 3.13Å; F721-F724 HydrophobicContact CB-CD2 4.46Å; F721-F724 HydrophobicContact CD1-CD2 4.08Å; F721-F724 AromaticContact CD1-CE2 3.96Å; F721-F724 HydrophobicContact CD1-CE2 3.96Å; F721-F724 HydrophobicContact CE1-CE2 4.45Å; F721-F724 PolarHBondContact O-N 3.27Å; F721-S739 WeakPolarHBondContact CE1-OG 3.26Å; F721-S739 WeakPolarHBondContact CZ-OG 3.29Å
722S93.4Very high85.3Confident18 Ų1843.6 Ų43.613%0.12625%0.251CS..G310 helixtrans-62-20.8175.664.10000112.9A598 N719 R720 F724 Y725A598-S722 VanDerWaalsContact CB-N 3.35Å; N719-S722 VanDerWaalsContact O-CB 3.25Å; N719-S722 WeakPolarHBondContact O-CB 3.21Å; N719-S722 PolarHBondContact O-N 2.92Å; N719-S722 PolarHBondContact O-OG 2.82Å; R720-S722 PolarHBondContact O-N 3.4Å; S722-F724 PolarHBondContact O-N 3.25Å; S722-Y725 WeakPolarHBondContact O-CB 3.34Å; S722-Y725 PolarHBondContact O-N 2.93Å
723L92.6Very high83.7Confident8 Ų844.1 Ų44.14%0.04225%0.25CC..G310 helixtrans-61.1-27.5173.7-59.6174.1000112.5V640 V694 L697 I702 L705 R720 F721 Y725V640-L723 HydrophobicContact CG1-CD1 3.93Å; V694-L723 HydrophobicContact CG1-CG 4.44Å; L697-L723 HydrophobicContact CB-CD2 4.06Å; L697-L723 HydrophobicContact CD2-CD2 3.89Å; L697-L723 HydrophobicContact CG-CD2 4.37Å; I702-L723 HydrophobicContact CD1-CB 3.59Å; I702-L723 HydrophobicContact CG1-CB 4.28Å; L705-L723 HydrophobicContact CD1-CD1 3.7Å; R720-L723 WeakPolarHBondContact O-CG 3.49Å; R720-L723 PolarHBondContact O-N 3.07Å; F721-L723 PolarHBondContact O-N 3.44Å; F721-L723 VanDerWaalsContact O-N 3.13Å; L723-Y725 VanDerWaalsContact C-N 3.28Å; L723-Y725 PolarHBondContact O-N 2.94Å
724F91.3Very high82.1Confident0 Ų042.5 Ų42.50%024%0.238CC..G310 helixtrans-75.5-8.9174.2-65.4-63.6000114.2V607 I702 L705 F721 S722 A726 N727 L728V607-F724 HydrophobicContact CG1-CD2 3.99Å; V607-F724 HydrophobicContact CG1-CE1 4.2Å; V607-F724 HydrophobicContact CG1-CE2 3.59Å; V607-F724 HydrophobicContact CG1-CG 4.44Å; V607-F724 HydrophobicContact CG1-CZ 3.7Å; V607-F724 HydrophobicContact CG2-CB 4.24Å; V607-F724 HydrophobicContact CG2-CD1 4.28Å; V607-F724 HydrophobicContact CG2-CD2 4.1Å; V607-F724 HydrophobicContact CG2-CG 3.96Å; I702-F724 HydrophobicContact CD1-CD1 4.2Å; I702-F724 HydrophobicContact CD1-CE1 4.07Å; I702-F724 HydrophobicContact CG1-CD1 4.15Å; I702-F724 HydrophobicContact CG1-CE1 4.31Å; I702-F724 WeakPolarHBondContact O-CE1 3.35Å; L705-F724 HydrophobicContact CB-CE1 4.29Å; L705-F724 HydrophobicContact CB-CE2 3.82Å; L705-F724 HydrophobicContact CB-CZ 3.43Å; L705-F724 VanDerWaalsContact CB-CZ 3.43Å; L705-F724 HydrophobicContact CD2-CD2 4.34Å; L705-F724 HydrophobicContact CD2-CE2 3.64Å; L705-F724 HydrophobicContact CD2-CZ 4.17Å; L705-F724 HydrophobicContact CG-CE2 4.4Å; L705-F724 HydrophobicContact CG-CZ 4.46Å; F721-F724 HydrophobicContact CB-CD2 4.46Å; F721-F724 HydrophobicContact CD1-CD2 4.08Å; F721-F724 AromaticContact CD1-CE2 3.96Å; F721-F724 HydrophobicContact CD1-CE2 3.96Å; F721-F724 HydrophobicContact CE1-CE2 4.45Å; F721-F724 PolarHBondContact O-N 3.27Å; S722-F724 PolarHBondContact O-N 3.25Å; F724-A726 PolarHBondContact O-N 3.49Å; F724-N727 WeakPolarHBondContact O-CB 3.32Å; F724-N727 PolarHBondContact O-N 3.37Å; F724-L728 WeakPolarHBondContact O-CG 3.48Å; F724-L728 PolarHBondContact O-N 2.87Å
725Y90.1Very high80.4Confident10 Ų1043.2 Ų43.24%0.03925%0.25CC..G310 helixtrans-58.1-25-178.2-72.7-4.3000113.9N353 G356 L358 A598 A601 S722 L723 L728N353-Y725 HydrophobicContact CB-CD2 3.98Å; N353-Y725 HydrophobicContact CB-CG 4.3Å; G356-Y725 VanDerWaalsContact O-CE2 3.3Å; G356-Y725 WeakPolarHBondContact O-CE2 3.12Å; G356-Y725 PolarHBondContact O-OH 2.95Å; L358-Y725 HydrophobicContact CB-CD1 3.97Å; L358-Y725 HydrophobicContact CB-CE1 3.72Å; L358-Y725 HydrophobicContact CB-CE2 4.31Å; L358-Y725 HydrophobicContact CB-CG 4.35Å; L358-Y725 HydrophobicContact CD1-CD1 4Å; L358-Y725 HydrophobicContact CD1-CG 4.02Å; L358-Y725 HydrophobicContact CG-CD1 4.4Å; A598-Y725 HydrophobicContact CB-CE1 3.68Å; A598-Y725 WeakPolarHBondContact CB-OH 3.4Å; A601-Y725 HydrophobicContact CB-CE1 3.92Å; S722-Y725 WeakPolarHBondContact O-CB 3.34Å; S722-Y725 PolarHBondContact O-N 2.93Å; L723-Y725 VanDerWaalsContact C-N 3.28Å; L723-Y725 PolarHBondContact O-N 2.94Å; Y725-L728 HydrophobicContact CD1-CD1 4.42Å
726A86.5Confident79.7Confident22 Ų2240.6 Ų40.618%0.18223%0.227CC..G310 helixtrans-74.9-36.2174.900000112.7G700 K701 F724 L728 K729G700-A726 WeakPolarHBondContact O-CB 3.04Å; K701-A726 HydrophobicContact CG-CB 4.32Å; F724-A726 PolarHBondContact O-N 3.49Å; A726-L728 VanDerWaalsContact C-N 3.29Å; A726-L728 PolarHBondContact O-N 3.11Å; A726-K729 WeakPolarHBondContact O-CB 3.43Å; A726-K729 PolarHBondContact O-N 3.07Å
727N85.3Confident79.4Confident11 Ų1137.9 Ų37.96%0.05922%0.219CC..G310 helixtrans-62.8-41.9177.3-51.929.3000109.6K701 I702 F724 K729 S730 V736K701-N727 VanDerWaalsContact CA-OD1 3.25Å; K701-N727 WeakPolarHBondContact CA-OD1 3.17Å; I702-N727 PolarHBondContact N-OD1 3.45Å; I702-N727 PolarHBondContact O-ND2 2.9Å; F724-N727 WeakPolarHBondContact O-CB 3.32Å; F724-N727 PolarHBondContact O-N 3.37Å; N727-K729 PolarHBondContact O-N 2.99Å; N727-S730 PolarHBondContact O-N 3.32Å; N727-V736 HydrophobicContact CB-CG1 3.36Å; N727-V736 PolarHBondContact ND2-O 2.81Å
728L80Confident79.2Confident15 Ų1539.4 Ų39.48%0.07923%0.226CC..G310 helixtrans-65.5-2.2179.6-60.3169.5000114.6T351 L358 F724 Y725 A726 V736T351-L728 PolarHBondContact OG1-O 3.39Å; L358-L728 HydrophobicContact CD1-CB 4.2Å; L358-L728 HydrophobicContact CD1-CD1 4.34Å; L358-L728 HydrophobicContact CD2-CB 4.33Å; L358-L728 HydrophobicContact CD2-CD1 3.57Å; F724-L728 WeakPolarHBondContact O-CG 3.48Å; F724-L728 PolarHBondContact O-N 2.87Å; Y725-L728 HydrophobicContact CD1-CD1 4.42Å; A726-L728 VanDerWaalsContact C-N 3.29Å; A726-L728 PolarHBondContact O-N 3.11Å; L728-V736 HydrophobicContact CD2-CG1 3.79Å; L728-V736 HydrophobicContact CG-CG1 4.29Å
729K74.1Confident79.2Confident94 Ų9438.4 Ų38.441%0.40922%0.221SC..G310 helixtrans-84.9-12.1172.3-59.2-157.3174.1-1690114.9T351 N353 A726 N727T351-K729 HydrophobicContact CG2-CG 3.98Å; N353-K729 WeakPolarHBondContact OD1-CE 3.43Å; N353-K729 PolarHBondContact OD1-NZ 3.07Å; A726-K729 WeakPolarHBondContact O-CB 3.43Å; A726-K729 PolarHBondContact O-N 3.07Å; N727-K729 PolarHBondContact O-N 2.99Å
730S61.4Low79.2Confident50 Ų5036.1 Ų36.135%0.3521%0.209SC..  trans-14986.3176.2-18.20000110K701 N727 T732K701-S730 VanDerWaalsContact NZ-CB 3.27Å; K701-S730 PolarHBondContact NZ-OG 3.27Å; N727-S730 PolarHBondContact O-N 3.32Å; S730-T732 PolarHBondContact O-N 2.83Å
731P57.3Low79.3Confident89 Ų8936.1 Ų36.158%0.57821%0.209SC*.  trans-79.657.917934.8-36.3000111
732T53.1Low79.3Confident121 Ų12136 Ų3674%0.74221%0.209SC*.SBendtrans-76.4-26.3179.645.70000112.7S730S730-T732 PolarHBondContact O-N 2.83Å
733T52.8Low79.3Confident113 Ų11335.2 Ų35.269%0.69320%0.203SC*.SBendtrans-144.9151170.442.10000109.2
734R56.4Low79.3Confident78 Ų7837.4 Ų37.429%0.29421%0.212SC..SBendtrans-117.5153.9168.2-68.4-164.9169-147.9-16.4108.4V342 Y604 G605 V736V342-R734 PolarHBondContact O-NH1 3.44Å; Y604-R734 PolarHBondContact O-NH1 3.05Å; Y604-R734 PolarHBondContact O-NH2 3.11Å; G605-R734 PolarHBondContact O-NE 3.13Å; G605-R734 PolarHBondContact O-NH1 3.44Å; G605-R734 PolarHBondContact O-NH2 2.91Å; R734-V736 HydrophobicContact CG-CG2 4Å
735P57.3Low79.3Confident72 Ų7239.3 Ų39.347%0.46823%0.225SC..  cis-66.7154.12.129.9-36.7000112.8Q608Q608-P735 HydrophobicContact CG-CB 4.09Å
736V76.5Confident79.3Confident15 Ų1543.3 Ų43.39%0.09125%0.25CS..  trans-85.6-14.8-174.7177.40000112.5G605 G606 V607 N727 L728 R734G605-V736 WeakPolarHBondContact O-CG2 3.27Å; G606-V736 PolarHBondContact O-N 2.66Å; V607-V736 HydrophobicContact CG2-CB 4.48Å; N727-V736 HydrophobicContact CB-CG1 3.36Å; N727-V736 PolarHBondContact ND2-O 2.81Å; L728-V736 HydrophobicContact CD2-CG1 3.79Å; L728-V736 HydrophobicContact CG-CG1 4.29Å; R734-V736 HydrophobicContact CG-CG2 4Å
737G86.6Confident79.5Confident8 Ų844.1 Ų44.18%0.08225%0.252CS..EExtended strand (participates in β ladder)trans169.9175.1175.400000110.7V607 Q608V607-G737 CarbonylContact C-O 3.53Å; V607-G737 WeakPolarHBondContact CA-O 3.35Å; Q608-G737 PolarHBondContact N-O 2.73Å
738Q90.8Very high79.7Confident31 Ų3144.5 Ų44.515%0.14525%0.254CS..EExtended strand (participates in β ladder)trans-121.9133.3174.8-170.8-173.414.400110.2Q608 P703 L704 L705 V740Q608-Q738 HydrophobicContact CB-CG 4.44Å; P703-Q738 PolarHBondContact O-N 3.49Å; L704-Q738 WeakPolarHBondContact CA-O 3.47Å; L704-Q738 HydrophobicContact CD1-CB 4.23Å; L704-Q738 HydrophobicContact CD1-CG 4.42Å; L705-Q738 PolarHBondContact N-O 3.09Å; Q738-V740 HydrophobicContact CG-CG2 4.09Å
739S94.3Very high80.3Confident0 Ų048 Ų480%027%0.27CS..EExtended strand (participates in β ladder)trans-106.9126.9167.1173.10000108.8Q608 D610 L705 H707 F721Q608-S739 PolarHBondContact O-N 3.43Å; D610-S739 PolarHBondContact N-O 3.01Å; L705-S739 CarbonylContact O-C 3.56Å; L705-S739 WeakPolarHBondContact O-CA 3.4Å; H707-S739 PolarHBondContact NE2-OG 3.49Å; H707-S739 VanDerWaalsContact NE2-OG 3.07Å; F721-S739 WeakPolarHBondContact CE1-OG 3.26Å; F721-S739 WeakPolarHBondContact CZ-OG 3.29Å
740V94.8Very high81.2Confident0 Ų044.7 Ų44.70%026%0.257CS..EExtended strand (participates in β ladder)trans-118124.2174.8-174.70000108.9D610 R612 L627 L704 L705 I706 H707 Q738 F742D610-V740 HydrophobicContact CB-CG1 4.42Å; D610-V740 HydrophobicContact CB-CG2 4.18Å; D610-V740 CarbonylContact O-C 3.51Å; D610-V740 WeakPolarHBondContact O-CA 3.24Å; R612-V740 HydrophobicContact CG-CG1 4.31Å; L627-V740 HydrophobicContact CD1-CG1 4.06Å; L627-V740 HydrophobicContact CD2-CG2 4.18Å; L704-V740 HydrophobicContact CD1-CG2 3.88Å; L705-V740 PolarHBondContact O-N 2.82Å; I706-V740 CarbonylContact C-O 3.59Å; I706-V740 WeakPolarHBondContact CA-O 3.32Å; H707-V740 PolarHBondContact N-O 3.24Å; Q738-V740 HydrophobicContact CG-CG2 4.09Å; V740-F742 HydrophobicContact CG1-CD1 4.27Å; V740-F742 HydrophobicContact CG1-CE1 3.97Å
741V95.6Very high82.8Confident1 Ų142.3 Ų42.31%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-108.6125.7179.7-174.90000110L609 D610 V611 R612 H707 F710 F717 L754L609-V741 HydrophobicContact CD1-CG2 4Å; D610-V741 PolarHBondContact O-N 3.05Å; V611-V741 HydrophobicContact CG1-CB 4.43Å; V611-V741 HydrophobicContact CG2-CB 4.26Å; V611-V741 HydrophobicContact CG2-CG2 4.46Å; R612-V741 PolarHBondContact N-O 3.12Å; H707-V741 HydrophobicContact CB-CB 4.4Å; H707-V741 HydrophobicContact CB-CG1 4.24Å; H707-V741 HydrophobicContact CB-CG2 4.23Å; F710-V741 HydrophobicContact CE1-CG1 3.84Å; F710-V741 HydrophobicContact CZ-CG1 3.8Å; F717-V741 HydrophobicContact CE2-CG1 4.23Å; F717-V741 HydrophobicContact CE2-CG2 4.27Å; F717-V741 HydrophobicContact CZ-CG1 4.44Å; F717-V741 HydrophobicContact CZ-CG2 3.94Å; V741-L754 HydrophobicContact CG1-CD1 4.47Å
742F95.1Very high84.6Confident1 Ų139.4 Ų39.40%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-92.8118.1166.9-64.9-9.5000108.6R612 K620 H623 L624 L627 I706 H707 Y708 V740R612-F742 HydrophobicContact CB-CD1 4.23Å; R612-F742 WeakPolarHBondContact O-CA 3.43Å; K620-F742 HydrophobicContact CB-CD2 4.13Å; K620-F742 HydrophobicContact CB-CE2 4.27Å; K620-F742 HydrophobicContact CD-CB 4.49Å; K620-F742 HydrophobicContact CD-CD2 4.09Å; K620-F742 HydrophobicContact CG-CD2 3.98Å; H623-F742 HydrophobicContact CB-CE1 4.33Å; H623-F742 HydrophobicContact CB-CZ 4.09Å; L624-F742 HydrophobicContact CB-CE2 4.26Å; L624-F742 HydrophobicContact CB-CZ 4.29Å; L627-F742 HydrophobicContact CD1-CE1 3.92Å; L627-F742 HydrophobicContact CD1-CZ 3.88Å; I706-F742 HydrophobicContact CG2-CZ 4.46Å; H707-F742 PolarHBondContact O-N 3.31Å; Y708-F742 AromaticContact CD2-CD2 3.93Å; Y708-F742 HydrophobicContact CD2-CD2 3.93Å; Y708-F742 HydrophobicContact CD2-CE2 4.06Å; Y708-F742 HydrophobicContact CE2-CD2 4.28Å; Y708-F742 HydrophobicContact CE2-CE2 4.3Å; V740-F742 HydrophobicContact CG1-CD1 4.27Å; V740-F742 HydrophobicContact CG1-CE1 3.97Å
743A94Very high86.5Confident0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-119.1137.1-17900000110.3V611 R612 V613 V614 F710 I751V611-A743 HydrophobicContact CG1-CB 4.32Å; R612-A743 PolarHBondContact O-N 3.14Å; V613-A743 CarbonylContact C-O 3.52Å; V613-A743 VanDerWaalsContact CA-O 3.26Å; V613-A743 WeakPolarHBondContact CA-O 3.47Å; V614-A743 PolarHBondContact N-O 3.41Å; F710-A743 HydrophobicContact CE2-CB 3.57Å; F710-A743 HydrophobicContact CZ-CB 3.89Å; A743-I751 HydrophobicContact CB-CG1 4.37Å
744K91.9Very high88.5Confident54 Ų5430.5 Ų30.524%0.23516%0.159CC..  trans-87.2151.2171-59.6-160.5174.4-161.20110.4E617 T746 D747 I751E617-K744 WeakPolarHBondContact OE1-CE 3.48Å; E617-K744 IonicContact OE1-NZ 2.76Å; E617-K744 PolarHBondContact OE1-NZ 3.3Å; K744-T746 WeakPolarHBondContact CB-OG1 3.33Å; K744-T746 PolarHBondContact O-N 3.4Å; K744-D747 WeakPolarHBondContact CB-OD2 3.24Å; K744-D747 PolarHBondContact N-OD2 3.46Å; K744-D747 WeakPolarHBondContact O-CB 3.24Å; K744-D747 PolarHBondContact O-N 3.12Å; K744-I751 WeakPolarHBondContact O-CD1 3.21Å
745P90.9Very high90.3Very high40 Ų4026.8 Ų26.826%0.2615%0.145SC..THydrogen-bonded Turntrans-58.7-8.1170.1-2433.9000114.8V613 R776V613-P745 HydrophobicContact CG1-CG 3.79Å; P745-R776 PolarHBondContact O-NE 2.94Å; P745-R776 PolarHBondContact O-NH2 3.35Å
746T90.2Very high91.9Very high95 Ų9524.8 Ų24.858%0.58313%0.131SC*.THydrogen-bonded Turntrans-93-11.5173.147.80000113.8K744 V748K744-T746 WeakPolarHBondContact CB-OG1 3.33Å; K744-T746 PolarHBondContact O-N 3.4Å; T746-V748 PolarHBondContact O-N 3.03Å
747D90.8Very high92.6Very high39 Ų3924.6 Ų24.621%0.20913%0.129CC..  trans-77.236.1-179.4-73.8-55.5000113.1F710 K744 E749 N750 I751F710-D747 HydrophobicContact CD2-CB 3.77Å; F710-D747 WeakPolarHBondContact CD2-OD2 3.49Å; F710-D747 HydrophobicContact CE2-CB 3.6Å; K744-D747 WeakPolarHBondContact CB-OD2 3.24Å; K744-D747 PolarHBondContact N-OD2 3.46Å; K744-D747 WeakPolarHBondContact O-CB 3.24Å; K744-D747 PolarHBondContact O-N 3.12Å; D747-E749 VanDerWaalsContact C-N 3.25Å; D747-E749 PolarHBondContact O-N 3.13Å; D747-E749 VanDerWaalsContact O-N 3.1Å; D747-N750 PolarHBondContact O-N 2.77Å; D747-I751 HydrophobicContact CB-CD1 4.33Å; D747-I751 HydrophobicContact CB-CG1 4.3Å; D747-I751 WeakPolarHBondContact O-CG1 3.04Å; D747-I751 PolarHBondContact O-N 2.97Å
748V90.9Very high92.9Very high19 Ų1925 Ų2512%0.11513%0.128CC..Hα-helixtrans-47.8-46.2-170.3-169.80000112.2T746 N750 I751 W752 L773 R776T746-V748 PolarHBondContact O-N 3.03Å; V748-N750 VanDerWaalsContact C-N 3.33Å; V748-N750 PolarHBondContact O-N 3.12Å; V748-I751 PolarHBondContact O-N 3.36Å; V748-W752 WeakPolarHBondContact O-CB 3.33Å; V748-W752 PolarHBondContact O-N 3.13Å; V748-L773 HydrophobicContact CG1-CD2 3.77Å; V748-R776 HydrophobicContact CG1-CB 4.31Å; V748-R776 HydrophobicContact CG2-CB 4.15Å; V748-R776 HydrophobicContact CG2-CG 3.69Å
749E91.8Very high92.7Very high87 Ų8724.2 Ų24.241%0.40712%0.124SC..Hα-helixtrans-57.6-39.9177.2-87.9-60.912400113.7D747 K753 H804D747-E749 VanDerWaalsContact C-N 3.25Å; D747-E749 PolarHBondContact O-N 3.13Å; D747-E749 VanDerWaalsContact O-N 3.1Å; E749-K753 VanDerWaalsContact O-CG 3.31Å; E749-K753 WeakPolarHBondContact O-CG 3.48Å; E749-K753 PolarHBondContact O-NZ 2.87Å; E749-K753 IonicContact OE2-NZ 2.74Å; E749-K753 PolarHBondContact OE2-NZ 3.1Å; E749-H804 VanDerWaalsContact CD-NE2 3.3Å; E749-H804 IonicContact OE1-CD2 2.67Å; E749-H804 IonicContact OE1-CE1 3.39Å; E749-H804 PolarHBondContact OE1-CE1 3.05Å; E749-H804 IonicContact OE1-NE2 2.64Å; E749-H804 PolarHBondContact OE1-NE2 3.49Å; E749-H804 IonicContact OE2-CE1 3.1Å; E749-H804 IonicContact OE2-NE2 2.65Å; E749-H804 PolarHBondContact OE2-NE2 2.88Å; E749-H804 VanDerWaalsContact OE2-NE2 3.12Å
750N93.1Very high92.3Very high26 Ų2628.7 Ų28.714%0.13914%0.144CC..Hα-helixtrans-88.2-33.5-177.5-67.8-45000111.7F710 D747 V748 W752 K753 L754F710-N750 HydrophobicContact CD1-CB 3.63Å; F710-N750 HydrophobicContact CD2-CB 3.94Å; F710-N750 HydrophobicContact CE1-CB 3.61Å; F710-N750 HydrophobicContact CE2-CB 3.89Å; F710-N750 HydrophobicContact CG-CB 3.8Å; F710-N750 HydrophobicContact CZ-CB 3.74Å; D747-N750 PolarHBondContact O-N 2.77Å; V748-N750 VanDerWaalsContact C-N 3.33Å; V748-N750 PolarHBondContact O-N 3.12Å; N750-W752 VanDerWaalsContact C-N 3.31Å; N750-W752 PolarHBondContact O-N 3.31Å; N750-K753 PolarHBondContact O-N 3Å; N750-L754 PolarHBondContact O-N 2.99Å
751I94.8Very high91.9Very high0 Ų029.6 Ų29.60%015%0.148CC..Hα-helixtrans-59.9-42.2170.3-67.4174.2000110.2A743 K744 D747 V748 K753 L754 C755 L769 I772 L773A743-I751 HydrophobicContact CB-CG1 4.37Å; K744-I751 WeakPolarHBondContact O-CD1 3.21Å; D747-I751 HydrophobicContact CB-CD1 4.33Å; D747-I751 HydrophobicContact CB-CG1 4.3Å; D747-I751 WeakPolarHBondContact O-CG1 3.04Å; D747-I751 PolarHBondContact O-N 2.97Å; V748-I751 PolarHBondContact O-N 3.36Å; I751-K753 PolarHBondContact O-N 3.08Å; I751-L754 PolarHBondContact O-N 3.21Å; I751-C755 PolarHBondContact O-N 2.72Å; I751-C755 PolarHBondContact O-SG 3.43Å; I751-L769 HydrophobicContact CG2-CB 3.93Å; I751-L769 HydrophobicContact CG2-CD2 4.28Å; I751-I772 HydrophobicContact CD1-CD1 4.44Å; I751-I772 HydrophobicContact CD1-CG2 4.11Å; I751-L773 HydrophobicContact CB-CD2 4.28Å; I751-L773 HydrophobicContact CG2-CD1 4.31Å; I751-L773 HydrophobicContact CG2-CD2 3.95Å; I751-L773 HydrophobicContact CG2-CG 3.96Å
752W94.4Very high91.2Very high28 Ų2834.3 Ų34.311%0.10617%0.168CC..Hα-helixtrans-60.9-45.2175.9-166.195.7000111.6V748 N750 L754 C755 D756 L773 L802 H804 L958V748-W752 WeakPolarHBondContact O-CB 3.33Å; V748-W752 PolarHBondContact O-N 3.13Å; N750-W752 VanDerWaalsContact C-N 3.31Å; N750-W752 PolarHBondContact O-N 3.31Å; W752-L754 VanDerWaalsContact C-N 3.33Å; W752-L754 PolarHBondContact O-N 2.67Å; W752-C755 PolarHBondContact O-N 2.91Å; W752-D756 HydrophobicContact CE3-CB 4.12Å; W752-D756 HydrophobicContact CH2-CB 4.28Å; W752-D756 HydrophobicContact CZ3-CB 3.83Å; W752-D756 WeakPolarHBondContact O-CB 3.46Å; W752-D756 PolarHBondContact O-N 2.88Å; W752-L773 HydrophobicContact CB-CD1 4.3Å; W752-L773 HydrophobicContact CB-CD2 3.92Å; W752-L773 HydrophobicContact CG-CD1 4.43Å; W752-L802 PolarHBondContact NE1-O 3.43Å; W752-H804 HydrophobicContact CD2-CB 4.08Å; W752-H804 AromaticContact CD2-CD2 3.83Å; W752-H804 HydrophobicContact CE3-CB 4.47Å; W752-H804 HydrophobicContact CH2-CB 4.24Å; W752-H804 HydrophobicContact CZ2-CB 3.8Å; W752-L958 HydrophobicContact CD2-CD1 3.96Å; W752-L958 HydrophobicContact CG-CD1 4.29Å; W752-L958 HydrophobicContact CH2-CD1 4.46Å; W752-L958 HydrophobicContact CZ2-CB 3.95Å; W752-L958 HydrophobicContact CZ2-CD1 3.85Å
753K93.9Very high90.7Very high47 Ų4735.1 Ų35.120%0.20417%0.173CC..Hα-helixtrans-66.1-32.4178-66.5174.5-166.982.20112.8W714 E749 N750 I751 F757W714-K753 HydrophobicContact CB-CD 3.96Å; W714-K753 HydrophobicContact CD2-CB 4.02Å; W714-K753 HydrophobicContact CD2-CD 3.88Å; W714-K753 HydrophobicContact CE3-CB 4Å; W714-K753 HydrophobicContact CE3-CD 4.14Å; W714-K753 HydrophobicContact CG-CD 3.8Å; W714-K753 HydrophobicContact CH2-CB 4Å; W714-K753 HydrophobicContact CZ2-CB 4Å; W714-K753 HydrophobicContact CZ3-CB 3.98Å; E749-K753 VanDerWaalsContact O-CG 3.31Å; E749-K753 WeakPolarHBondContact O-CG 3.48Å; E749-K753 PolarHBondContact O-NZ 2.87Å; E749-K753 IonicContact OE2-NZ 2.74Å; E749-K753 PolarHBondContact OE2-NZ 3.1Å; N750-K753 PolarHBondContact O-N 3Å; I751-K753 PolarHBondContact O-N 3.08Å; K753-F757 WeakPolarHBondContact O-CB 3.44Å; K753-F757 PolarHBondContact O-N 2.86Å; K753-F757 VanDerWaalsContact O-N 3.12Å
754L94.2Very high90.3Very high0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-69.3-47170.4-76.8170.8000111.8V611 F710 W714 F717 V741 N750 I751 W752 D756 F757 Y758V611-L754 HydrophobicContact CG1-CD1 4.14Å; V611-L754 HydrophobicContact CG2-CD1 4.2Å; F710-L754 HydrophobicContact CE1-CD1 3.82Å; F710-L754 HydrophobicContact CZ-CD1 3.67Å; W714-L754 HydrophobicContact CH2-CD2 4.06Å; W714-L754 HydrophobicContact CH2-CG 4.29Å; W714-L754 HydrophobicContact CZ3-CD2 4.47Å; W714-L754 HydrophobicContact CZ3-CG 4.43Å; F717-L754 HydrophobicContact CE1-CD2 4.27Å; F717-L754 HydrophobicContact CZ-CD2 4.29Å; V741-L754 HydrophobicContact CG1-CD1 4.47Å; N750-L754 PolarHBondContact O-N 2.99Å; I751-L754 PolarHBondContact O-N 3.21Å; W752-L754 VanDerWaalsContact C-N 3.33Å; W752-L754 PolarHBondContact O-N 2.67Å; L754-D756 VanDerWaalsContact C-N 3.3Å; L754-D756 PolarHBondContact O-N 3.15Å; L754-F757 WeakPolarHBondContact O-CB 3.44Å; L754-F757 PolarHBondContact O-N 2.89Å; L754-F757 VanDerWaalsContact O-N 3.16Å; L754-Y758 VanDerWaalsContact O-CD2 3.29Å; L754-Y758 WeakPolarHBondContact O-CD2 3.38Å; L754-Y758 PolarHBondContact O-N 3.07Å
755C93.9Very high90Very high0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-60.1-41.5177.6-67.50000111.8I751 W752 Y758 M759 P766 L769 L770 L773 L958I751-C755 PolarHBondContact O-N 2.72Å; I751-C755 PolarHBondContact O-SG 3.43Å; W752-C755 PolarHBondContact O-N 2.91Å; C755-Y758 PolarHBondContact O-N 3.38Å; C755-M759 WeakPolarHBondContact O-CG 3.27Å; C755-M759 PolarHBondContact O-N 2.88Å; C755-P766 HydrophobicContact CB-CG 4.5Å; C755-L769 WeakPolarHBondContact SG-CB 3.38Å; C755-L770 HydrophobicContact CB-CD2 3.86Å; C755-L773 HydrophobicContact CB-CD1 4.14Å; C755-L958 HydrophobicContact CB-CD1 3.8Å; C755-L958 HydrophobicContact CB-CD2 4.21Å
756D91.7Very high90Very high30 Ų3037 Ų3716%0.1618%0.184CC..Hα-helixtrans-59.6-45.4174.7178.357.3000111.6W752 L754 K760 L958W752-D756 HydrophobicContact CE3-CB 4.12Å; W752-D756 HydrophobicContact CH2-CB 4.28Å; W752-D756 HydrophobicContact CZ3-CB 3.83Å; W752-D756 WeakPolarHBondContact O-CB 3.46Å; W752-D756 PolarHBondContact O-N 2.88Å; L754-D756 VanDerWaalsContact C-N 3.3Å; L754-D756 PolarHBondContact O-N 3.15Å; D756-K760 WeakPolarHBondContact O-CB 3.41Å; D756-K760 WeakPolarHBondContact O-CD 3.45Å; D756-K760 VanDerWaalsContact O-CG 3.31Å; D756-K760 WeakPolarHBondContact O-CG 3.49Å; D756-K760 PolarHBondContact O-N 2.9Å; D756-K760 VanDerWaalsContact OD1-CE 3.23Å; D756-K760 WeakPolarHBondContact OD1-CE 3.25Å; D756-K760 IonicContact OD1-NZ 3.52Å; D756-K760 PolarHBondContact OD1-NZ 3Å; D756-K760 IonicContact OD2-NZ 2.74Å; D756-K760 PolarHBondContact OD2-NZ 3.23Å; D756-L958 HydrophobicContact CB-CD1 3.95Å
757F91.9Very high90Very high11 Ų1134.4 Ų34.45%0.04818%0.175CC..Hα-helixtrans-62.8-47.1175.5177-94.7000112.5L599 V603 L609 K753 L754 M759 K760 H761 L763L599-F757 HydrophobicContact CD1-CE1 4.07Å; L599-F757 HydrophobicContact CD1-CE2 4.06Å; L599-F757 HydrophobicContact CD1-CZ 3.56Å; L599-F757 HydrophobicContact CD2-CD1 4.48Å; L599-F757 HydrophobicContact CD2-CD2 3.69Å; L599-F757 HydrophobicContact CD2-CE1 4.29Å; L599-F757 HydrophobicContact CD2-CE2 3.45Å; L599-F757 VanDerWaalsContact CD2-CE2 3.45Å; L599-F757 HydrophobicContact CD2-CG 4.2Å; L599-F757 HydrophobicContact CD2-CZ 3.77Å; L599-F757 HydrophobicContact CG-CD2 4.19Å; L599-F757 HydrophobicContact CG-CE1 4.31Å; L599-F757 HydrophobicContact CG-CE2 3.42Å; L599-F757 VanDerWaalsContact CG-CE2 3.42Å; L599-F757 HydrophobicContact CG-CZ 3.48Å; L599-F757 VanDerWaalsContact CG-CZ 3.48Å; V603-F757 HydrophobicContact CG2-CE1 4.45Å; V603-F757 HydrophobicContact CG2-CE2 4.18Å; V603-F757 HydrophobicContact CG2-CZ 3.53Å; L609-F757 HydrophobicContact CD2-CD1 4.32Å; L609-F757 HydrophobicContact CD2-CE1 3.99Å; K753-F757 WeakPolarHBondContact O-CB 3.44Å; K753-F757 PolarHBondContact O-N 2.86Å; K753-F757 VanDerWaalsContact O-N 3.12Å; L754-F757 WeakPolarHBondContact O-CB 3.44Å; L754-F757 PolarHBondContact O-N 2.89Å; L754-F757 VanDerWaalsContact O-N 3.16Å; F757-M759 PolarHBondContact O-N 3.06Å; F757-K760 PolarHBondContact O-N 2.87Å; F757-H761 AromaticContact CD2-CD2 3.45Å; F757-H761 VanDerWaalsContact CD2-CD2 3.45Å; F757-H761 WeakPolarHBondContact CD2-CD2 3.44Å; F757-H761 AromaticContact CD2-NE2 3.75Å; F757-H761 AromaticContact CE2-CD2 3.19Å; F757-H761 WeakPolarHBondContact CE2-CD2 3.25Å; F757-H761 AromaticContact CE2-NE2 3.24Å; F757-H761 WeakPolarHBondContact CE2-NE2 3.48Å; F757-H761 AromaticContact CG-CD2 3.98Å; F757-H761 AromaticContact CZ-CD2 3.54Å; F757-H761 AromaticContact CZ-NE2 3.85Å; F757-H761 WeakPolarHBondContact O-CB 3.44Å; F757-H761 PolarHBondContact O-CD2 2.89Å; F757-H761 PolarHBondContact O-N 2.85Å; F757-L763 HydrophobicContact CE1-CD1 4.31Å
758Y91Very high90Very high15 Ų1536.6 Ų36.66%0.05918%0.184CC..Hα-helixtrans-57.3-49.5177.1-91.8-115.7000111.5A338 L609 V611 L754 C755 H761 K762 L763 P764 P766A338-Y758 HydrophobicContact CB-CE1 4.03Å; L609-Y758 HydrophobicContact CD2-CD2 4.44Å; L609-Y758 HydrophobicContact CD2-CE2 3.56Å; L609-Y758 HydrophobicContact CG-CE2 4.13Å; L609-Y758 PolarHBondContact O-OH 3.24Å; V611-Y758 HydrophobicContact CG2-CE2 4.23Å; L754-Y758 VanDerWaalsContact O-CD2 3.29Å; L754-Y758 WeakPolarHBondContact O-CD2 3.38Å; L754-Y758 PolarHBondContact O-N 3.07Å; C755-Y758 PolarHBondContact O-N 3.38Å; Y758-H761 PolarHBondContact O-N 2.65Å; Y758-K762 PolarHBondContact O-N 3Å; Y758-L763 HydrophobicContact CD1-CB 3.47Å; Y758-L763 VanDerWaalsContact CD1-CB 3.47Å; Y758-L763 HydrophobicContact CD1-CD1 4.03Å; Y758-L763 HydrophobicContact CD1-CG 4.38Å; Y758-L763 HydrophobicContact CD2-CD1 4.21Å; Y758-L763 HydrophobicContact CE1-CB 4.11Å; Y758-L763 HydrophobicContact CE1-CD1 4.23Å; Y758-L763 HydrophobicContact CE2-CD1 4.42Å; Y758-L763 HydrophobicContact CG-CB 3.93Å; Y758-L763 HydrophobicContact CG-CD1 4.02Å; Y758-L763 PolarHBondContact O-N 3.38Å; Y758-P764 WeakPolarHBondContact CD1-O 3.19Å; Y758-P766 HydrophobicContact CD1-CB 4.32Å; Y758-P766 HydrophobicContact CD1-CG 4.19Å; Y758-P766 HydrophobicContact CG-CG 4.22Å
759M87.2Confident90.1Very high15 Ų1535.9 Ų35.97%0.07418%0.18CC..Hα-helixtrans-62.5-44.2178.5-67-60.9-55.100111.8C755 F757 H761 K762 R765 E956 L958C755-M759 WeakPolarHBondContact O-CG 3.27Å; C755-M759 PolarHBondContact O-N 2.88Å; F757-M759 PolarHBondContact O-N 3.06Å; M759-H761 VanDerWaalsContact C-N 3.26Å; M759-H761 PolarHBondContact O-N 3.33Å; M759-K762 PolarHBondContact O-N 3.08Å; M759-R765 HydrophobicContact SD-CB 4.34Å; M759-R765 HydrophobicContact SD-CG 4.01Å; M759-E956 HydrophobicContact CE-CB 3.95Å; M759-E956 HydrophobicContact CE-CG 4.25Å; M759-L958 HydrophobicContact CG-CD2 3.98Å
760K85.8Confident90.2Very high95 Ų9532.3 Ų32.341%0.41316%0.164SC..Hα-helixtrans-62.9-29.2178.7-81.1164.5168.5152.40113.9I574 D756 F757I574-K760 HydrophobicContact CD1-CB 4.44Å; I574-K760 HydrophobicContact CD1-CD 3.96Å; I574-K760 HydrophobicContact CD1-CG 4.32Å; D756-K760 WeakPolarHBondContact O-CB 3.41Å; D756-K760 WeakPolarHBondContact O-CD 3.45Å; D756-K760 VanDerWaalsContact O-CG 3.31Å; D756-K760 WeakPolarHBondContact O-CG 3.49Å; D756-K760 PolarHBondContact O-N 2.9Å; D756-K760 VanDerWaalsContact OD1-CE 3.23Å; D756-K760 WeakPolarHBondContact OD1-CE 3.25Å; D756-K760 IonicContact OD1-NZ 3.52Å; D756-K760 PolarHBondContact OD1-NZ 3Å; D756-K760 IonicContact OD2-NZ 2.74Å; D756-K760 PolarHBondContact OD2-NZ 3.23Å; F757-K760 PolarHBondContact O-N 2.87Å
761H86Confident90.2Very high18 Ų1832.6 Ų32.68%0.08317%0.172CC..THydrogen-bonded Turntrans-998.3-179.6-77.4-68000114.7I574 W575 E600 F757 Y758 M759 L763I574-H761 WeakPolarHBondContact CG2-CE1 3.25Å; W575-H761 PolarHBondContact O-CE1 3.28Å; W575-H761 PolarHBondContact O-ND1 2.81Å; E600-H761 IonicContact OE1-CE1 2.91Å; E600-H761 IonicContact OE1-NE2 2.61Å; E600-H761 PolarHBondContact OE1-NE2 3.28Å; E600-H761 IonicContact OE2-CE1 3.76Å; E600-H761 PolarHBondContact OE2-CE1 2.77Å; E600-H761 IonicContact OE2-NE2 2.59Å; E600-H761 PolarHBondContact OE2-NE2 3.19Å; E600-H761 VanDerWaalsContact OE2-NE2 3.11Å; F757-H761 AromaticContact CD2-CD2 3.45Å; F757-H761 VanDerWaalsContact CD2-CD2 3.45Å; F757-H761 WeakPolarHBondContact CD2-CD2 3.44Å; F757-H761 AromaticContact CD2-NE2 3.75Å; F757-H761 AromaticContact CE2-CD2 3.19Å; F757-H761 WeakPolarHBondContact CE2-CD2 3.25Å; F757-H761 AromaticContact CE2-NE2 3.24Å; F757-H761 WeakPolarHBondContact CE2-NE2 3.48Å; F757-H761 AromaticContact CG-CD2 3.98Å; F757-H761 AromaticContact CZ-CD2 3.54Å; F757-H761 AromaticContact CZ-NE2 3.85Å; F757-H761 WeakPolarHBondContact O-CB 3.44Å; F757-H761 PolarHBondContact O-CD2 2.89Å; F757-H761 PolarHBondContact O-N 2.85Å; Y758-H761 PolarHBondContact O-N 2.65Å; M759-H761 VanDerWaalsContact C-N 3.26Å; M759-H761 PolarHBondContact O-N 3.33Å; H761-L763 HydrophobicContact CB-CD1 4.48Å; H761-L763 HydrophobicContact CB-CD2 4.41Å; H761-L763 HydrophobicContact CB-CG 4Å; H761-L763 PolarHBondContact O-N 3.39Å
762K80.9Confident90.1Very high101 Ų10133.3 Ų33.344%0.43918%0.176SC..THydrogen-bonded Turntrans5533-175.4-59.5178.9164.1-172.40114D578 Y758 M759 R1020D578-K762 WeakPolarHBondContact OD2-CE 3.29Å; D578-K762 IonicContact OD2-NZ 3.54Å; D578-K762 PolarHBondContact OD2-NZ 3.11Å; Y758-K762 PolarHBondContact O-N 3Å; M759-K762 PolarHBondContact O-N 3.08Å; K762-R1020 VanDerWaalsContact CE-NH1 3.35Å
763L84.3Confident90Very high17 Ų1732 Ų329%0.08917%0.171CC..  trans-74.5160.2173-55.9-171.8000110A338 L340 F757 Y758 H761 R765A338-L763 HydrophobicContact CB-CD1 4.45Å; L340-L763 HydrophobicContact CD1-CD1 4.21Å; L340-L763 HydrophobicContact CD2-CD1 4.26Å; L340-L763 HydrophobicContact CD2-CD2 3.58Å; L340-L763 HydrophobicContact CD2-CG 4.49Å; L340-L763 HydrophobicContact CG-CD1 4.32Å; L340-L763 HydrophobicContact CG-CD2 3.79Å; F757-L763 HydrophobicContact CE1-CD1 4.31Å; Y758-L763 HydrophobicContact CD1-CB 3.47Å; Y758-L763 VanDerWaalsContact CD1-CB 3.47Å; Y758-L763 HydrophobicContact CD1-CD1 4.03Å; Y758-L763 HydrophobicContact CD1-CG 4.38Å; Y758-L763 HydrophobicContact CD2-CD1 4.21Å; Y758-L763 HydrophobicContact CE1-CB 4.11Å; Y758-L763 HydrophobicContact CE1-CD1 4.23Å; Y758-L763 HydrophobicContact CE2-CD1 4.42Å; Y758-L763 HydrophobicContact CG-CB 3.93Å; Y758-L763 HydrophobicContact CG-CD1 4.02Å; Y758-L763 PolarHBondContact O-N 3.38Å; H761-L763 HydrophobicContact CB-CD1 4.48Å; H761-L763 HydrophobicContact CB-CD2 4.41Å; H761-L763 HydrophobicContact CB-CG 4Å; H761-L763 PolarHBondContact O-N 3.39Å; L763-R765 PolarHBondContact O-N 2.9Å
764P85.6Confident90Very high78 Ų7831.1 Ų31.151%0.50617%0.171SC..  trans-49.2126.2174.9-27.835.8000110.7Y758 P766Y758-P764 WeakPolarHBondContact CD1-O 3.19Å; P764-P766 VanDerWaalsContact O-CD 3.31Å; P764-P766 WeakPolarHBondContact O-CD 3.36Å; P764-P766 VanDerWaalsContact O-N 3.12Å
765R86.9Confident89.8Confident52 Ų5236.2 Ų36.220%0.19620%0.195CC..  trans-60.3114.6-174.6177.4175.7172.190.2-12.7109.2M759 L763 G767 L770 H1022M759-R765 HydrophobicContact SD-CB 4.34Å; M759-R765 HydrophobicContact SD-CG 4.01Å; L763-R765 PolarHBondContact O-N 2.9Å; R765-G767 PolarHBondContact O-N 2.76Å; R765-L770 HydrophobicContact CG-CD1 3.73Å; R765-H1022 VanDerWaalsContact CD-NE2 3.33Å; R765-H1022 WeakPolarHBondContact CD-NE2 3.37Å; R765-H1022 PolarHBondContact NE-CD2 3.14Å; R765-H1022 PolarHBondContact NE-NE2 3.4Å
766P90.4Very high89.6Confident5 Ų539.3 Ų39.33%0.03221%0.206CC..  trans-79.583.3-166.631.6-35.9000110.8C755 Y758 P764 H768 L769 L770C755-P766 HydrophobicContact CB-CG 4.5Å; Y758-P766 HydrophobicContact CD1-CB 4.32Å; Y758-P766 HydrophobicContact CD1-CG 4.19Å; Y758-P766 HydrophobicContact CG-CG 4.22Å; P764-P766 VanDerWaalsContact O-CD 3.31Å; P764-P766 WeakPolarHBondContact O-CD 3.36Å; P764-P766 VanDerWaalsContact O-N 3.12Å; P766-H768 VanDerWaalsContact C-N 3.32Å; P766-H768 PolarHBondContact O-N 3.14Å; P766-L769 HydrophobicContact CB-CB 4.09Å; P766-L769 HydrophobicContact CB-CD1 3.89Å; P766-L769 HydrophobicContact CB-CG 4.05Å; P766-L769 HydrophobicContact CG-CB 4.38Å; P766-L769 HydrophobicContact CG-CD1 4.32Å; P766-L769 PolarHBondContact O-N 3.41Å; P766-L769 VanDerWaalsContact O-N 3.15Å; P766-L770 WeakPolarHBondContact O-CG 3.49Å; P766-L770 PolarHBondContact O-N 3.31Å
767G89.8Confident89.4Confident39 Ų3938.7 Ų38.740%0.40220%0.201SC..Hα-helixtrans-57-42.7-168.600000113.3R765 L770 G771R765-G767 PolarHBondContact O-N 2.76Å; G767-L770 PolarHBondContact O-N 3.43Å; G767-G771 PolarHBondContact O-N 2.71Å
768H90.4Very high89Confident85 Ų8541.6 Ų41.639%0.39422%0.217SC..Hα-helixtrans-63.9-43.7178.5-175.5-127.8000112.5D335 P766 L770 G771 I772D335-H768 WeakPolarHBondContact OD2-CB 3.33Å; P766-H768 VanDerWaalsContact C-N 3.32Å; P766-H768 PolarHBondContact O-N 3.14Å; H768-L770 PolarHBondContact O-N 3.48Å; H768-G771 PolarHBondContact O-N 2.93Å; H768-I772 PolarHBondContact O-N 2.93Å; H768-I772 VanDerWaalsContact O-N 3.17Å
769L94.3Very high88.8Confident5 Ų543.9 Ų43.93%0.02623%0.228CC..Hα-helixtrans-64.9-38.2177.9-60-173.2000112.2V611 V613 I751 C755 P766 G771 I772 L773V611-L769 HydrophobicContact CB-CD1 4.33Å; V611-L769 HydrophobicContact CG1-CD1 3.99Å; V611-L769 HydrophobicContact CG1-CD2 4.16Å; V613-L769 HydrophobicContact CG2-CD2 3.38Å; I751-L769 HydrophobicContact CG2-CB 3.93Å; I751-L769 HydrophobicContact CG2-CD2 4.28Å; C755-L769 WeakPolarHBondContact SG-CB 3.38Å; P766-L769 HydrophobicContact CB-CB 4.09Å; P766-L769 HydrophobicContact CB-CD1 3.89Å; P766-L769 HydrophobicContact CB-CG 4.05Å; P766-L769 HydrophobicContact CG-CB 4.38Å; P766-L769 HydrophobicContact CG-CD1 4.32Å; P766-L769 PolarHBondContact O-N 3.41Å; P766-L769 VanDerWaalsContact O-N 3.15Å; L769-G771 VanDerWaalsContact C-N 3.32Å; L769-I772 HydrophobicContact CD2-CD1 4.47Å; L769-I772 PolarHBondContact O-N 3.16Å; L769-L773 WeakPolarHBondContact O-CG 3.05Å; L769-L773 PolarHBondContact O-N 3.23Å
770L93.4Very high88.6Confident12 Ų1247 Ų476%0.06324%0.243CC..Hα-helixtrans-66.1-35.4174.1-63.8178.6000111.9C755 R765 P766 G767 H768 L773 S774 L802 L958C755-L770 HydrophobicContact CB-CD2 3.86Å; R765-L770 HydrophobicContact CG-CD1 3.73Å; P766-L770 WeakPolarHBondContact O-CG 3.49Å; P766-L770 PolarHBondContact O-N 3.31Å; G767-L770 PolarHBondContact O-N 3.43Å; H768-L770 PolarHBondContact O-N 3.48Å; L770-L773 HydrophobicContact CD2-CD1 4.28Å; L770-L773 PolarHBondContact O-N 3Å; L770-S774 PolarHBondContact O-N 2.72Å; L770-S774 PolarHBondContact O-OG 2.59Å; L770-L802 HydrophobicContact CB-CD2 4.25Å; L770-L802 HydrophobicContact CD2-CD1 4.2Å; L770-L802 HydrophobicContact CD2-CD2 4.23Å; L770-L958 HydrophobicContact CD2-CD2 3.69Å
771G92.8Very high88.1Confident31 Ų3143.7 Ų43.732%0.3223%0.229SC..Hα-helixtrans-55.3-53.4171.600000112.1G767 H768 L769 L773 S774 Q775G767-G771 PolarHBondContact O-N 2.71Å; H768-G771 PolarHBondContact O-N 2.93Å; L769-G771 VanDerWaalsContact C-N 3.32Å; G771-L773 VanDerWaalsContact C-N 3.3Å; G771-L773 PolarHBondContact O-N 2.8Å; G771-S774 PolarHBondContact O-N 3.2Å; G771-S774 PolarHBondContact O-OG 3.12Å; G771-Q775 PolarHBondContact O-N 3.07Å
772I93.3Very high87.5Confident15 Ų1548.7 Ų48.78%0.07725%0.252CS..Hα-helixtrans-56-43.5178.2-62.8165.4000111.5V613 I751 H768 L769 R776V613-I772 HydrophobicContact CB-CD1 4.29Å; V613-I772 HydrophobicContact CG1-CD1 3.71Å; V613-I772 HydrophobicContact CG2-CD1 3.69Å; I751-I772 HydrophobicContact CD1-CD1 4.44Å; I751-I772 HydrophobicContact CD1-CG2 4.11Å; H768-I772 PolarHBondContact O-N 2.93Å; H768-I772 VanDerWaalsContact O-N 3.17Å; L769-I772 HydrophobicContact CD2-CD1 4.47Å; L769-I772 PolarHBondContact O-N 3.16Å; I772-R776 HydrophobicContact CG2-CG 4.42Å; I772-R776 WeakPolarHBondContact O-CB 3.45Å; I772-R776 VanDerWaalsContact O-CG 3.24Å; I772-R776 WeakPolarHBondContact O-CG 3.43Å; I772-R776 PolarHBondContact O-N 3.1Å
773L93.2Very high87Confident2 Ų251 Ų511%0.0127%0.268CS..Hα-helixtrans-62.6-42.7177-65173.8000111.9V748 I751 W752 C755 L769 L770 G771 R777 L802V748-L773 HydrophobicContact CG1-CD2 3.77Å; I751-L773 HydrophobicContact CB-CD2 4.28Å; I751-L773 HydrophobicContact CG2-CD1 4.31Å; I751-L773 HydrophobicContact CG2-CD2 3.95Å; I751-L773 HydrophobicContact CG2-CG 3.96Å; W752-L773 HydrophobicContact CB-CD1 4.3Å; W752-L773 HydrophobicContact CB-CD2 3.92Å; W752-L773 HydrophobicContact CG-CD1 4.43Å; C755-L773 HydrophobicContact CB-CD1 4.14Å; L769-L773 WeakPolarHBondContact O-CG 3.05Å; L769-L773 PolarHBondContact O-N 3.23Å; L770-L773 HydrophobicContact CD2-CD1 4.28Å; L770-L773 PolarHBondContact O-N 3Å; G771-L773 VanDerWaalsContact C-N 3.3Å; G771-L773 PolarHBondContact O-N 2.8Å; L773-R777 VanDerWaalsContact O-CG 3.27Å; L773-R777 WeakPolarHBondContact O-CG 3.5Å; L773-R777 PolarHBondContact O-N 3.09Å; L773-L802 HydrophobicContact CB-CD2 4.3Å
774S92.3Very high86.1Confident27 Ų2756.3 Ų56.319%0.18929%0.293CS..Hα-helixtrans-68.7-40.1179.266.60000113.3L770 G771 R777 L778L770-S774 PolarHBondContact O-N 2.72Å; L770-S774 PolarHBondContact O-OG 2.59Å; G771-S774 PolarHBondContact O-N 3.2Å; G771-S774 PolarHBondContact O-OG 3.12Å; S774-R777 PolarHBondContact O-N 2.76Å; S774-L778 PolarHBondContact O-N 3.07Å
775Q90.8Very high85Confident108 Ų10860.3 Ų60.351%0.50531%0.305SS..Hα-helixtrans-64.3-47.1177.1178.2178.5-17.500111.2G771 R777 L778 E779G771-Q775 PolarHBondContact O-N 3.07Å; Q775-R777 PolarHBondContact O-N 2.68Å; Q775-L778 WeakPolarHBondContact O-CA 3.47Å; Q775-L778 WeakPolarHBondContact O-CB 3.45Å; Q775-L778 PolarHBondContact O-N 3.45Å; Q775-E779 HydrophobicContact CG-CG 4.42Å; Q775-E779 WeakPolarHBondContact CG-OE1 3.43Å; Q775-E779 PolarHBondContact NE2-OE1 3.27Å; Q775-E779 PolarHBondContact O-N 2.66Å; Q775-E779 VanDerWaalsContact O-N 3.07Å
776R89Confident83.8Confident65 Ų6559.5 Ų59.525%0.24531%0.306CS..Hα-helixtrans-59.2-34.4178.8-72.4-78.7-177.2-143.12.9112.7P745 V748 I772 L778 E779 E780P745-R776 PolarHBondContact O-NE 2.94Å; P745-R776 PolarHBondContact O-NH2 3.35Å; V748-R776 HydrophobicContact CG1-CB 4.31Å; V748-R776 HydrophobicContact CG2-CB 4.15Å; V748-R776 HydrophobicContact CG2-CG 3.69Å; I772-R776 HydrophobicContact CG2-CG 4.42Å; I772-R776 WeakPolarHBondContact O-CB 3.45Å; I772-R776 VanDerWaalsContact O-CG 3.24Å; I772-R776 WeakPolarHBondContact O-CG 3.43Å; I772-R776 PolarHBondContact O-N 3.1Å; R776-L778 VanDerWaalsContact C-N 3.27Å; R776-L778 PolarHBondContact O-N 2.98Å; R776-E779 WeakPolarHBondContact CD-OE2 3.47Å; R776-E779 IonicContact CZ-OE2 2.74Å; R776-E779 IonicContact NE-OE2 3.25Å; R776-E779 IonicContact NH1-OE2 2.93Å; R776-E779 PolarHBondContact NH1-OE2 3.38Å; R776-E779 PolarHBondContact O-N 3.17Å; R776-E780 WeakPolarHBondContact O-CB 3.29Å; R776-E780 WeakPolarHBondContact O-CG 3.35Å; R776-E780 PolarHBondContact O-N 3.47Å
777R87.4Confident82.1Confident16 Ų1665.6 Ų65.66%0.0634%0.343CS..Hα-helixtrans-70.2-18.5175.4-68.4-75175.9-96.7-11.5114.2L773 S774 Q775 E780 C801 R803 H804 H810L773-R777 VanDerWaalsContact O-CG 3.27Å; L773-R777 WeakPolarHBondContact O-CG 3.5Å; L773-R777 PolarHBondContact O-N 3.09Å; S774-R777 PolarHBondContact O-N 2.76Å; Q775-R777 PolarHBondContact O-N 2.68Å; R777-E780 WeakPolarHBondContact CD-OE2 3.19Å; R777-E780 IonicContact CZ-OE2 3.63Å; R777-E780 IonicContact NE-OE2 3.62Å; R777-E780 IonicContact NH1-OE1 2.73Å; R777-E780 PolarHBondContact NH1-OE1 2.68Å; R777-E780 IonicContact NH1-OE2 2.73Å; R777-E780 PolarHBondContact NH1-OE2 3.13Å; R777-C801 HydrophobicContact CB-CB 4.49Å; R777-R803 PolarHBondContact NE-O 3.4Å; R777-R803 PolarHBondContact NH2-O 3.24Å; R777-R803 VanDerWaalsContact NH2-O 3.11Å; R777-H804 PolarHBondContact NH2-O 3.39Å; R777-H810 PolarHBondContact O-ND1 2.75Å
778L85.2Confident80.9Confident72 Ų7264.9 Ų64.938%0.37733%0.332SS..Hα-helixtrans-80.7-55168.2-64.1170000109.5S774 Q775 R776 E780 Q781 E782 M795 H810S774-L778 PolarHBondContact O-N 3.07Å; Q775-L778 WeakPolarHBondContact O-CA 3.47Å; Q775-L778 WeakPolarHBondContact O-CB 3.45Å; Q775-L778 PolarHBondContact O-N 3.45Å; R776-L778 VanDerWaalsContact C-N 3.27Å; R776-L778 PolarHBondContact O-N 2.98Å; L778-E780 PolarHBondContact O-N 3.23Å; L778-Q781 CarbonylContact O-C 3.52Å; L778-Q781 WeakPolarHBondContact O-CA 3.43Å; L778-Q781 PolarHBondContact O-N 2.8Å; L778-E782 PolarHBondContact O-N 3.01Å; L778-M795 HydrophobicContact CD2-CE 3.8Å; L778-H810 HydrophobicContact CD2-CB 3.96Å
779E86.4Confident79.8Confident63 Ų6369.1 Ų69.129%0.29435%0.345SS..Hα-helixtrans-54.9-46.1-178.1-65.7171.1178.700113.1Q775 R776 Q781 E782 L783Q775-E779 HydrophobicContact CG-CG 4.42Å; Q775-E779 WeakPolarHBondContact CG-OE1 3.43Å; Q775-E779 PolarHBondContact NE2-OE1 3.27Å; Q775-E779 PolarHBondContact O-N 2.66Å; Q775-E779 VanDerWaalsContact O-N 3.07Å; R776-E779 WeakPolarHBondContact CD-OE2 3.47Å; R776-E779 IonicContact CZ-OE2 2.74Å; R776-E779 IonicContact NE-OE2 3.25Å; R776-E779 IonicContact NH1-OE2 2.93Å; R776-E779 PolarHBondContact NH1-OE2 3.38Å; R776-E779 PolarHBondContact O-N 3.17Å; E779-Q781 PolarHBondContact O-N 3.07Å; E779-Q781 VanDerWaalsContact O-N 3.16Å; E779-E782 PolarHBondContact O-N 3Å; E779-E782 VanDerWaalsContact O-N 3.12Å; E779-L783 PolarHBondContact O-N 2.79Å; E779-L783 VanDerWaalsContact O-N 3.1Å
780E81.9Confident79.1Confident81 Ų8171.6 Ų71.638%0.37936%0.363SS..Hα-helixtrans-53.5-35.3174.8-77166.7174.400112.5R776 R777 L778 H784R776-E780 WeakPolarHBondContact O-CB 3.29Å; R776-E780 WeakPolarHBondContact O-CG 3.35Å; R776-E780 PolarHBondContact O-N 3.47Å; R777-E780 WeakPolarHBondContact CD-OE2 3.19Å; R777-E780 IonicContact CZ-OE2 3.63Å; R777-E780 IonicContact NE-OE2 3.62Å; R777-E780 IonicContact NH1-OE1 2.73Å; R777-E780 PolarHBondContact NH1-OE1 2.68Å; R777-E780 IonicContact NH1-OE2 2.73Å; R777-E780 PolarHBondContact NH1-OE2 3.13Å; L778-E780 PolarHBondContact O-N 3.23Å; E780-H784 PolarHBondContact O-N 2.97Å; E780-H784 VanDerWaalsContact O-N 3.09Å; E780-H784 PolarHBondContact O-ND1 3.42Å
781Q75.6Confident78.8Confident25 Ų2572.2 Ų72.212%0.11737%0.366CS..Hα-helixtrans-96.9-4.5-175.7-165.6-105.7-80.600113.1L778 E779 H784L778-Q781 CarbonylContact O-C 3.52Å; L778-Q781 WeakPolarHBondContact O-CA 3.43Å; L778-Q781 PolarHBondContact O-N 2.8Å; E779-Q781 PolarHBondContact O-N 3.07Å; E779-Q781 VanDerWaalsContact O-N 3.16Å; Q781-H784 CarbonylContact C-O 3.59Å
782E73.8Confident78.7Confident124 Ų12470.8 Ų70.858%0.57935%0.351SS*.Hα-helixtrans-83.7-34.4160.6-59.5-153.9125.100110.9L778 E779 K1039L778-E782 PolarHBondContact O-N 3.01Å; E779-E782 PolarHBondContact O-N 3Å; E779-E782 VanDerWaalsContact O-N 3.12Å; E782-K1039 IonicContact OE1-NZ 2.72Å; E782-K1039 PolarHBondContact OE1-NZ 3.34Å
783L70.8Confident78.5Confident148 Ų14875.4 Ų75.478%0.77537%0.372SS*.Hα-helixtrans-71-40.1174.2-169.868.8000112.5E779E779-L783 PolarHBondContact O-N 2.79Å; E779-L783 VanDerWaalsContact O-N 3.1Å
784H65.6Low78.4Confident129 Ų12975.6 Ų75.660%0.59737%0.373SS*.SBendtrans-100.3113.6175.6-59.576.8000109.8E780 Q781E780-H784 PolarHBondContact O-N 2.97Å; E780-H784 VanDerWaalsContact O-N 3.09Å; E780-H784 PolarHBondContact O-ND1 3.42Å; Q781-H784 CarbonylContact C-O 3.59Å
785Q61.6Low78.4Confident162 Ų16274.7 Ų74.776%0.75737%0.366SS*.  trans-49.3141.4176.9-68.6-172.93.400111.3T787Q785-T787 PolarHBondContact O-N 2.83Å
786P61.8Low78.4Confident35 Ų3570.5 Ų70.523%0.22735%0.35CS..  trans-68.387.2-171.426.7-35.1000112.8S788 R809P786-S788 PolarHBondContact O-N 3.31Å; P786-R809 HydrophobicContact CB-CG 4.39Å
787T55.7Low78.5Confident133 Ų13367.7 Ų67.782%0.81634%0.34SS*.  trans-63-24.8178.250.20000113.5Q785Q785-T787 PolarHBondContact O-N 2.83Å
788S63.4Low78.8Confident25 Ų2568 Ų6818%0.17534%0.342CS..  trans-96.4125.1176.6-1770000111.8P786 S790 M807 R809P786-S788 PolarHBondContact O-N 3.31Å; S788-S790 PolarHBondContact O-N 3.39Å; S788-S790 PolarHBondContact OG-N 2.88Å; S788-S790 PolarHBondContact OG-OG 2.9Å; S788-S790 VanDerWaalsContact OG-OG 3.12Å; S788-M807 VanDerWaalsContact CB-O 3.24Å; S788-M807 WeakPolarHBondContact CB-O 3.3Å; S788-R809 WeakPolarHBondContact O-CB 3.34Å
789R67.4Low79.1Confident173 Ų17365.2 Ų65.265%0.65333%0.331SS*.SBendtrans-64.9-23.9171.4-66-177.6177.2-174.1-2.6112.8R809 W813R789-R809 PolarHBondContact O-NE 2.94Å; R789-R809 PolarHBondContact O-NH2 3.29Å; R789-W813 HydrophobicContact CB-CH2 4.31Å; R789-W813 VanDerWaalsContact O-CH2 3.27Å; R789-W813 WeakPolarHBondContact O-CH2 3.07Å
790S80.8Confident79.4Confident57 Ų5762.6 Ų62.640%0.39932%0.319SS..SBendtrans-94128.4-171.556.30000113.4S788 Y808 R809S788-S790 PolarHBondContact O-N 3.39Å; S788-S790 PolarHBondContact OG-N 2.88Å; S788-S790 PolarHBondContact OG-OG 2.9Å; S788-S790 VanDerWaalsContact OG-OG 3.12Å; S790-Y808 WeakPolarHBondContact OG-CD1 3.25Å; S790-R809 PolarHBondContact O-N 3.02Å; S790-R809 VanDerWaalsContact O-N 3.09Å
791L86.6Confident79.9Confident26 Ų2658.8 Ų58.814%0.13630%0.301CS..BIsolated β-bridgetrans-63.1138.5173.6-172.867.4000110.8H793 M795 A796 R809 M812L791-H793 PolarHBondContact O-N 3.27Å; L791-M795 HydrophobicContact CD1-CG 4.34Å; L791-A796 HydrophobicContact CD2-CB 3.85Å; L791-A796 HydrophobicContact CG-CB 4.24Å; L791-R809 CarbonylContact C-O 3.56Å; L791-R809 WeakPolarHBondContact CA-O 3.44Å; L791-M812 HydrophobicContact CD2-CE 3.81Å
792C89.8Confident80.7Confident0 Ų057.7 Ų57.70%030%0.296CS..PPolyproline II helixtrans-65127.9-176.2176.60000111.2Q794 M795 A796 R809 H810C792-Q794 PolarHBondContact O-N 2.86Å; C792-Q794 VanDerWaalsContact O-N 3.14Å; C792-M795 HydrophobicContact CB-CB 3.89Å; C792-M795 WeakPolarHBondContact O-CB 3.13Å; C792-M795 PolarHBondContact O-N 3.16Å; C792-A796 PolarHBondContact O-N 3.41Å; C792-R809 VanDerWaalsContact CB-O 3.27Å; C792-R809 WeakPolarHBondContact CB-O 3.4Å; C792-R809 PolarHBondContact N-O 2.87Å; C792-H810 WeakPolarHBondContact CB-CD2 3.09Å
793H89.3Confident81.4Confident113 Ų11354.7 Ų54.752%0.52328%0.279SS..THydrogen-bonded Turntrans-68.7-14.7-173.5-145.689000114.8L791 A797 R949L791-H793 PolarHBondContact O-N 3.27Å; H793-A797 WeakPolarHBondContact O-CB 3.42Å; H793-R949 PolarHBondContact CE1-NH2 3.02Å; H793-R949 VanDerWaalsContact CE1-NH2 3.33Å; H793-R949 PolarHBondContact NE2-NH2 2.97Å
794Q92.3Very high82Confident6 Ų650.6 Ų50.63%0.02826%0.256CS..THydrogen-bonded Turntrans-82.7-43.7165.9-73.4-164.24.400111.6C792 A796 A797 F798 D800 L958 D959 R960C792-Q794 PolarHBondContact O-N 2.86Å; C792-Q794 VanDerWaalsContact O-N 3.14Å; Q794-A796 PolarHBondContact O-N 2.63Å; Q794-A797 WeakPolarHBondContact O-CB 3.29Å; Q794-A797 PolarHBondContact O-N 3.27Å; Q794-F798 HydrophobicContact CB-CD2 4.29Å; Q794-F798 WeakPolarHBondContact O-CD2 3.5Å; Q794-F798 PolarHBondContact O-N 3.23Å; Q794-D800 CarbonylContact C-O 3.54Å; Q794-L958 PolarHBondContact NE2-O 3.02Å; Q794-D959 VanDerWaalsContact NE2-C 3.25Å; Q794-D959 PolarHBondContact NE2-O 3.47Å; Q794-R960 VanDerWaalsContact CD-CD 3.45Å
795M91.4Very high82.8Confident7 Ų749.8 Ų49.83%0.03425%0.251CS..Hα-helixtrans-58-50.2177.6-179.954.879.800110.8L778 L791 C792 A797 F798 G799 D800 H810 M1034L778-M795 HydrophobicContact CD2-CE 3.8Å; L791-M795 HydrophobicContact CD1-CG 4.34Å; C792-M795 HydrophobicContact CB-CB 3.89Å; C792-M795 WeakPolarHBondContact O-CB 3.13Å; C792-M795 PolarHBondContact O-N 3.16Å; M795-A797 PolarHBondContact O-N 2.9Å; M795-F798 PolarHBondContact O-N 2.74Å; M795-G799 WeakPolarHBondContact O-CA 3.03Å; M795-G799 PolarHBondContact O-N 2.85Å; M795-G799 VanDerWaalsContact SD-O 3.38Å; M795-D800 PolarHBondContact N-O 2.87Å; M795-H810 HydrophobicContact CE-CB 4Å; M795-H810 WeakPolarHBondContact CG-O 3.3Å; M795-M1034 HydrophobicContact CG-CG 4.21Å; M795-M1034 HydrophobicContact CG-SD 3.6Å; M795-M1034 HydrophobicContact SD-CB 4.21Å; M795-M1034 HydrophobicContact SD-CG 3.85Å; M795-M1034 HydrophobicContact SD-SD 3.73Å
796A90.6Very high83.9Confident21 Ų2143.4 Ų43.417%0.17422%0.224CC..Hα-helixtrans-65.1-4.4175.100000115.3L791 C792 Q794L791-A796 HydrophobicContact CD2-CB 3.85Å; L791-A796 HydrophobicContact CG-CB 4.24Å; C792-A796 PolarHBondContact O-N 3.41Å; Q794-A796 PolarHBondContact O-N 2.63Å
797A91.6Very high84.9Confident6 Ų649 Ų495%0.0525%0.248CC..Hα-helixtrans-112.8-33.8-179.400000113.5H793 Q794 M795 R949H793-A797 WeakPolarHBondContact O-CB 3.42Å; Q794-A797 WeakPolarHBondContact O-CB 3.29Å; Q794-A797 PolarHBondContact O-N 3.27Å; M795-A797 PolarHBondContact O-N 2.9Å; A797-R949 VanDerWaalsContact CB-NH1 3.26Å
798F92.9Very high86.4Confident22 Ų2247.6 Ų47.610%0.09623%0.229CC..Hα-helixtrans-134.2-6.9-165.9-52.9-62.8000113.8Q794 M795 D800 Q954 R960 K1030Q794-F798 HydrophobicContact CB-CD2 4.29Å; Q794-F798 WeakPolarHBondContact O-CD2 3.5Å; Q794-F798 PolarHBondContact O-N 3.23Å; M795-F798 PolarHBondContact O-N 2.74Å; F798-D800 WeakPolarHBondContact CB-OD1 3.5Å; F798-D800 PolarHBondContact O-N 3.39Å; F798-Q954 HydrophobicContact CE1-CB 3.9Å; F798-Q954 HydrophobicContact CZ-CB 4.01Å; F798-R960 HydrophobicContact CE2-CB 4.04Å; F798-R960 HydrophobicContact CE2-CG 4.23Å; F798-K1030 WeakPolarHBondContact O-CB 3.43Å; F798-K1030 WeakPolarHBondContact O-CD 3.49Å
799G92.3Very high87.6Confident13 Ų1346.5 Ų46.513%0.13422%0.221CC..SBendtrans70.610.2-174.100000114.7M795M795-G799 WeakPolarHBondContact O-CA 3.03Å; M795-G799 PolarHBondContact O-N 2.85Å; M795-G799 VanDerWaalsContact SD-O 3.38Å
800D93.1Very high88.6Confident8 Ų838.6 Ų38.64%0.04319%0.192CC..SBendtrans-149.9164.7176.660.38.8000111.8Q794 M795 F798 R960 K1030Q794-D800 CarbonylContact C-O 3.54Å; M795-D800 PolarHBondContact N-O 2.87Å; F798-D800 WeakPolarHBondContact CB-OD1 3.5Å; F798-D800 PolarHBondContact O-N 3.39Å; D800-R960 PolarHBondContact O-NH1 2.94Å; D800-R960 IonicContact OD1-CZ 3.39Å; D800-R960 IonicContact OD1-NH1 3.54Å; D800-R960 PolarHBondContact OD1-NH1 3.14Å; D800-R960 IonicContact OD1-NH2 2.75Å; D800-R960 PolarHBondContact OD1-NH2 3.1Å; D800-R960 IonicContact OD2-NH2 2.64Å; D800-R960 PolarHBondContact OD2-NH2 3.28Å; D800-K1030 HydrophobicContact CB-CD 4.39Å; D800-K1030 WeakPolarHBondContact OD2-CE 3.28Å; D800-K1030 IonicContact OD2-NZ 3.61Å; D800-K1030 PolarHBondContact OD2-NZ 3.36Å
801C91.9Very high89Confident1 Ų136.7 Ų36.71%0.00718%0.178CC..  trans-128.1126.8176.2-172.20000110.7R777 H810R777-C801 HydrophobicContact CB-CB 4.49Å; C801-H810 PolarHBondContact SG-NE2 3.13Å
802L91.7Very high89.1Confident2 Ų235.6 Ų35.61%0.0117%0.172CC..  trans-115.811.3-178.1-60.2178.3000112.8W752 L770 L773W752-L802 PolarHBondContact NE1-O 3.43Å; L770-L802 HydrophobicContact CB-CD2 4.25Å; L770-L802 HydrophobicContact CD2-CD1 4.2Å; L770-L802 HydrophobicContact CD2-CD2 4.23Å; L773-L802 HydrophobicContact CB-CD2 4.3Å
803R87.9Confident89Confident62 Ų6237.1 Ų37.123%0.23418%0.178CC..  trans-67.6145.3-179-66.8177.1164.5175.4-8.8112.1R777 K805 C806 Y808R777-R803 PolarHBondContact NE-O 3.4Å; R777-R803 PolarHBondContact NH2-O 3.24Å; R777-R803 VanDerWaalsContact NH2-O 3.11Å; R803-K805 WeakPolarHBondContact CB-O 3.41Å; R803-C806 HydrophobicContact CB-CB 4.27Å; R803-Y808 VanDerWaalsContact NH1-CE2 3.34Å
804H83.7Confident88.9Confident61 Ų6138.2 Ų38.228%0.28218%0.177SC..SBendtrans-66-39.1178.5-176.9-108.9000113.3E749 W752 R777E749-H804 VanDerWaalsContact CD-NE2 3.3Å; E749-H804 IonicContact OE1-CD2 2.67Å; E749-H804 IonicContact OE1-CE1 3.39Å; E749-H804 PolarHBondContact OE1-CE1 3.05Å; E749-H804 IonicContact OE1-NE2 2.64Å; E749-H804 PolarHBondContact OE1-NE2 3.49Å; E749-H804 IonicContact OE2-CE1 3.1Å; E749-H804 IonicContact OE2-NE2 2.65Å; E749-H804 PolarHBondContact OE2-NE2 2.88Å; E749-H804 VanDerWaalsContact OE2-NE2 3.12Å; W752-H804 HydrophobicContact CD2-CB 4.08Å; W752-H804 AromaticContact CD2-CD2 3.83Å; W752-H804 HydrophobicContact CE3-CB 4.47Å; W752-H804 HydrophobicContact CH2-CB 4.24Å; W752-H804 HydrophobicContact CZ2-CB 3.8Å; R777-H804 PolarHBondContact NH2-O 3.39Å
805K82.9Confident88.6Confident113 Ų11342.2 Ų42.249%0.49120%0.199SC..SBendtrans-130151.6161.6-65.9-179.8178.4177.70108.4E69 R803E69-K805 IonicContact OE1-NZ 2.68Å; E69-K805 PolarHBondContact OE1-NZ 2.96Å; E69-K805 IonicContact OE2-NZ 3.79Å; E69-K805 PolarHBondContact OE2-NZ 3.1Å; R803-K805 WeakPolarHBondContact CB-O 3.41Å
806C85.1Confident88.3Confident28 Ų2842.9 Ų42.919%0.18920%0.202CC..  trans-147.5123.7173.6-163.90000112.3R803 H810R803-C806 HydrophobicContact CB-CB 4.27Å; C806-H810 PolarHBondContact SG-NE2 2.83Å
807M83.3Confident88.2Confident151 Ų15143.2 Ų43.274%0.74420%0.201SC*.  trans-98.317.1179.6-50.3-55.1-69.200113.1S788S788-M807 VanDerWaalsContact CB-O 3.24Å; S788-M807 WeakPolarHBondContact CB-O 3.3Å
808Y85.8Confident88Confident104 Ų10449.2 Ų49.241%0.40823%0.232SC..SBendtrans-112.6150.2-175-63.2-94.4000110.7S790 R803 H810S790-Y808 WeakPolarHBondContact OG-CD1 3.25Å; R803-Y808 VanDerWaalsContact NH1-CE2 3.34Å; Y808-H810 PolarHBondContact O-N 3.26Å
809R88.7Confident87.9Confident3 Ų348.8 Ų48.81%0.01123%0.231CC..BIsolated β-bridgetrans-64.4130.4176.7169.3171.559.790.9-6110.4P786 S788 R789 S790 L791 C792 V811 W813 E816P786-R809 HydrophobicContact CB-CG 4.39Å; S788-R809 WeakPolarHBondContact O-CB 3.34Å; R789-R809 PolarHBondContact O-NE 2.94Å; R789-R809 PolarHBondContact O-NH2 3.29Å; S790-R809 PolarHBondContact O-N 3.02Å; S790-R809 VanDerWaalsContact O-N 3.09Å; L791-R809 CarbonylContact C-O 3.56Å; L791-R809 WeakPolarHBondContact CA-O 3.44Å; C792-R809 VanDerWaalsContact CB-O 3.27Å; C792-R809 WeakPolarHBondContact CB-O 3.4Å; C792-R809 PolarHBondContact N-O 2.87Å; R809-V811 VanDerWaalsContact CD-O 3.25Å; R809-V811 WeakPolarHBondContact CD-O 3.27Å; R809-V811 HydrophobicContact CG-CB 4.47Å; R809-V811 WeakPolarHBondContact CG-O 3.47Å; R809-V811 PolarHBondContact NH1-O 3.31Å; R809-W813 VanDerWaalsContact CZ-CE2 3.48Å; R809-W813 VanDerWaalsContact NH2-CE3 3.35Å; R809-W813 VanDerWaalsContact NH2-CZ3 3.27Å; R809-E816 IonicContact CZ-OE1 2.71Å; R809-E816 IonicContact CZ-OE2 3.84Å; R809-E816 IonicContact NH1-OE1 2.91Å; R809-E816 IonicContact NH1-OE2 2.82Å; R809-E816 PolarHBondContact NH1-OE2 2.98Å; R809-E816 IonicContact NH2-OE1 3.2Å; R809-E816 PolarHBondContact NH2-OE1 3.34Å; R809-E816 IonicContact NH2-OE2 3.73Å; R809-E816 PolarHBondContact NH2-OE2 3.34Å
810H90.3Very high87.7Confident6 Ų650 Ų503%0.02824%0.237CC..  trans-100.6-5.2173.9-56.2125000113.1R777 L778 C792 M795 C801 C806 Y808R777-H810 PolarHBondContact O-ND1 2.75Å; L778-H810 HydrophobicContact CD2-CB 3.96Å; C792-H810 WeakPolarHBondContact CB-CD2 3.09Å; M795-H810 HydrophobicContact CE-CB 4Å; M795-H810 WeakPolarHBondContact CG-O 3.3Å; C801-H810 PolarHBondContact SG-NE2 3.13Å; C806-H810 PolarHBondContact SG-NE2 2.83Å; Y808-H810 PolarHBondContact O-N 3.26Å
811V87.4Confident87.5Confident18 Ų1856.5 Ų56.511%0.10927%0.272CS..SBendtrans-98.4122.2175.4175.90000110.7R809 K1039R809-V811 VanDerWaalsContact CD-O 3.25Å; R809-V811 WeakPolarHBondContact CD-O 3.27Å; R809-V811 HydrophobicContact CG-CB 4.47Å; R809-V811 WeakPolarHBondContact CG-O 3.47Å; R809-V811 PolarHBondContact NH1-O 3.31Å; V811-K1039 HydrophobicContact CG1-CB 3.98Å; V811-K1039 HydrophobicContact CG1-CD 3.89Å; V811-K1039 HydrophobicContact CG1-CG 3.71Å
812M88.4Confident87.5Confident3 Ų358.7 Ų58.72%0.01528%0.282CS..PPolyproline II helixtrans-74142.4173.1176.7163.4-101.900111.4L791 E816 V817 I994 H995 M1034 V1035 S1038 K1039L791-M812 HydrophobicContact CD2-CE 3.81Å; M812-E816 HydrophobicContact CE-CB 4.13Å; M812-E816 HydrophobicContact CG-CB 4.04Å; M812-V817 HydrophobicContact CG-CG2 4.05Å; M812-V817 HydrophobicContact SD-CB 4.49Å; M812-V817 HydrophobicContact SD-CG2 3.85Å; M812-I994 HydrophobicContact CE-CG2 3.98Å; M812-I994 HydrophobicContact SD-CG2 4.1Å; M812-H995 HydrophobicContact CE-CB 3.89Å; M812-M1034 HydrophobicContact CB-CG 4.19Å; M812-M1034 HydrophobicContact CE-CE 4.06Å; M812-M1034 HydrophobicContact SD-CE 3.91Å; M812-V1035 HydrophobicContact SD-CG2 4.12Å; M812-S1038 VanDerWaalsContact O-CA 3.25Å; M812-S1038 WeakPolarHBondContact O-CA 3.29Å; M812-S1038 WeakPolarHBondContact O-CB 3.47Å; M812-K1039 PolarHBondContact O-N 2.94Å
813W88.4Confident87.5Confident31 Ų3158.9 Ų58.912%0.11728%0.282CS..BIsolated β-bridgetrans-86.5152.8171.5-60.4-43.7000111.6R789 R809 D815 E816 V817 K1039 C1041R789-W813 HydrophobicContact CB-CH2 4.31Å; R789-W813 VanDerWaalsContact O-CH2 3.27Å; R789-W813 WeakPolarHBondContact O-CH2 3.07Å; R809-W813 VanDerWaalsContact CZ-CE2 3.48Å; R809-W813 VanDerWaalsContact NH2-CE3 3.35Å; R809-W813 VanDerWaalsContact NH2-CZ3 3.27Å; W813-D815 VanDerWaalsContact C-N 3.32Å; W813-D815 WeakPolarHBondContact CB-OD1 3.39Å; W813-D815 PolarHBondContact O-N 3.46Å; W813-E816 HydrophobicContact CB-CG 4.1Å; W813-E816 HydrophobicContact CE3-CG 4.12Å; W813-E816 PolarHBondContact N-OE2 2.94Å; W813-E816 WeakPolarHBondContact O-CB 3.46Å; W813-E816 PolarHBondContact O-N 3.2Å; W813-V817 PolarHBondContact O-N 2.69Å; W813-K1039 CarbonylContact C-O 3.44Å; W813-K1039 VanDerWaalsContact CA-O 3.24Å; W813-K1039 WeakPolarHBondContact CA-O 3.22Å; W813-C1041 HydrophobicContact CB-CB 4.37Å; W813-C1041 HydrophobicContact CD2-CB 3.99Å; W813-C1041 HydrophobicContact CE3-CB 4.48Å; W813-C1041 HydrophobicContact CG-CB 3.94Å
814R88.3Confident87.8Confident137 Ų13757 Ų5752%0.51728%0.278SS..Hα-helixtrans-63-33.8-177.3-69.3-171.3-171.4143.33.2114.2E816 V817 K1039 D1040R814-E816 VanDerWaalsContact C-N 3.28Å; R814-V817 PolarHBondContact O-N 3.17Å; R814-K1039 PolarHBondContact N-O 3.22Å; R814-D1040 WeakPolarHBondContact CD-OD1 3.16Å; R814-D1040 IonicContact CZ-OD1 2.67Å; R814-D1040 IonicContact CZ-OD2 3.04Å; R814-D1040 VanDerWaalsContact CZ-OD2 3.26Å; R814-D1040 IonicContact NE-OD1 2.8Å; R814-D1040 IonicContact NH1-OD1 3.17Å; R814-D1040 PolarHBondContact NH1-OD1 3.12Å; R814-D1040 IonicContact NH1-OD2 2.69Å; R814-D1040 PolarHBondContact NH1-OD2 3.04Å; R814-D1040 IonicContact NH2-OD2 2.95Å
815D84.3Confident88.1Confident90 Ų9059.1 Ų59.148%0.48129%0.287SS..Hα-helixtrans-69.7-25.4173.865.5-47.5000112.5W813 M1044W813-D815 VanDerWaalsContact C-N 3.32Å; W813-D815 WeakPolarHBondContact CB-OD1 3.39Å; W813-D815 PolarHBondContact O-N 3.46Å; D815-M1044 HydrophobicContact CB-CE 4.04Å; D815-M1044 WeakPolarHBondContact OD2-CE 3.41Å
816E86.1Confident88.4Confident20 Ų2059.8 Ų59.89%0.09330%0.295CS..Hα-helixtrans-78.5-20.2175.7-65.6179.6137.900113.9R809 M812 W813 R814 H995R809-E816 IonicContact CZ-OE1 2.71Å; R809-E816 IonicContact CZ-OE2 3.84Å; R809-E816 IonicContact NH1-OE1 2.91Å; R809-E816 IonicContact NH1-OE2 2.82Å; R809-E816 PolarHBondContact NH1-OE2 2.98Å; R809-E816 IonicContact NH2-OE1 3.2Å; R809-E816 PolarHBondContact NH2-OE1 3.34Å; R809-E816 IonicContact NH2-OE2 3.73Å; R809-E816 PolarHBondContact NH2-OE2 3.34Å; M812-E816 HydrophobicContact CE-CB 4.13Å; M812-E816 HydrophobicContact CG-CB 4.04Å; W813-E816 HydrophobicContact CB-CG 4.1Å; W813-E816 HydrophobicContact CE3-CG 4.12Å; W813-E816 PolarHBondContact N-OE2 2.94Å; W813-E816 WeakPolarHBondContact O-CB 3.46Å; W813-E816 PolarHBondContact O-N 3.2Å; R814-E816 VanDerWaalsContact C-N 3.28Å; E816-H995 WeakPolarHBondContact CA-ND1 3.3Å; E816-H995 WeakPolarHBondContact CB-ND1 3.49Å; E816-H995 WeakPolarHBondContact O-CA 3.43Å; E816-H995 WeakPolarHBondContact O-CB 3.33Å; E816-H995 PolarHBondContact O-N 3.08Å; E816-H995 PolarHBondContact O-ND1 3.4Å
817V88Confident88.8Confident28 Ų2860 Ų6017%0.1730%0.303CS..Hα-helixtrans-60.5-50.5-175.2168.20000111.7M812 W813 R814 H995 V1035M812-V817 HydrophobicContact CG-CG2 4.05Å; M812-V817 HydrophobicContact SD-CB 4.49Å; M812-V817 HydrophobicContact SD-CG2 3.85Å; W813-V817 PolarHBondContact O-N 2.69Å; R814-V817 PolarHBondContact O-N 3.17Å; V817-H995 PolarHBondContact O-N 2.7Å; V817-V1035 HydrophobicContact CG1-CG1 3.61Å; V817-V1035 HydrophobicContact CG1-CG2 4.38Å; V817-V1035 HydrophobicContact CG2-CG1 4.3Å
818L88.2Confident89.4Confident133 Ų13358.3 Ų58.370%0.69630%0.296SS*.SBendtrans-75.8130.3-171.8-66.9174.8000111
819P89.5Confident89.9Confident12 Ų1253.8 Ų53.88%0.07828%0.279CS..PPolyproline II helixtrans-74.2150173.832.8-36.6000111.1K825 A993 H995P819-K825 HydrophobicContact CG-CD 4.46Å; P819-K825 HydrophobicContact CG-CG 4.11Å; P819-A993 HydrophobicContact CB-CB 3.94Å; P819-A993 HydrophobicContact CG-CB 3.91Å; P819-A993 WeakPolarHBondContact CG-O 3.49Å; P819-H995 VanDerWaalsContact CA-O 3.25Å; P819-H995 WeakPolarHBondContact CA-O 3.49Å; P819-H995 WeakPolarHBondContact CB-O 3.29Å
820P89.4Confident90.2Very high38 Ų3859.4 Ų59.425%0.24730%0.3CS..PPolyproline II helixtrans-54.8146.9178.8-23.932.9000112.6H822 Y823 H995P820-H822 PolarHBondContact O-N 2.73Å; P820-Y823 HydrophobicContact CB-CD2 3.86Å; P820-Y823 HydrophobicContact CB-CE2 4.21Å; P820-Y823 HydrophobicContact CG-CD2 3.94Å; P820-Y823 HydrophobicContact CG-CE2 3.93Å; P820-Y823 VanDerWaalsContact O-CB 3.28Å; P820-Y823 WeakPolarHBondContact O-CB 3.37Å; P820-Y823 PolarHBondContact O-N 2.8Å; P820-H995 WeakPolarHBondContact CD-O 3.16Å
821D88.9Confident90.4Very high145 Ų14559.1 Ų59.178%0.77530%0.299SS*.THydrogen-bonded Turntrans-63.2-21.3-167.5-65.8-56.2000116.4Y823 K825D821-Y823 VanDerWaalsContact C-N 3.34Å; D821-K825 IonicContact OD1-NZ 3.23Å
822H90.6Very high90.6Very high47 Ų4759.2 Ų59.222%0.21830%0.299CS..THydrogen-bonded Turntrans-81.4-11.7173.855.7-77.1000113.3P820 Q849P820-H822 PolarHBondContact O-N 2.73Å; H822-Q849 PolarHBondContact O-NE2 2.97Å; H822-Q849 PolarHBondContact O-OE1 3.32Å
823Y93.1Very high90.8Very high7 Ų760.3 Ų60.33%0.02731%0.305CS..SBendtrans-74.5133.2176.5-83-131.6000110.8P820 D821 K825 R943 M946 R996 I998P820-Y823 HydrophobicContact CB-CD2 3.86Å; P820-Y823 HydrophobicContact CB-CE2 4.21Å; P820-Y823 HydrophobicContact CG-CD2 3.94Å; P820-Y823 HydrophobicContact CG-CE2 3.93Å; P820-Y823 VanDerWaalsContact O-CB 3.28Å; P820-Y823 WeakPolarHBondContact O-CB 3.37Å; P820-Y823 PolarHBondContact O-N 2.8Å; D821-Y823 VanDerWaalsContact C-N 3.34Å; Y823-K825 PolarHBondContact O-N 3.21Å; Y823-R943 HydrophobicContact CE2-CG 4.39Å; Y823-M946 HydrophobicContact CD1-SD 4.39Å; Y823-M946 HydrophobicContact CD2-CE 3.76Å; Y823-M946 HydrophobicContact CD2-CG 4.42Å; Y823-M946 HydrophobicContact CD2-SD 4.12Å; Y823-M946 HydrophobicContact CE1-CB 4.08Å; Y823-M946 HydrophobicContact CE1-CG 4.09Å; Y823-M946 HydrophobicContact CE1-SD 4.39Å; Y823-M946 HydrophobicContact CE2-CE 3.91Å; Y823-M946 HydrophobicContact CE2-CG 3.84Å; Y823-M946 HydrophobicContact CE2-SD 4.15Å; Y823-M946 HydrophobicContact CG-CE 4.36Å; Y823-M946 HydrophobicContact CG-SD 4.26Å; Y823-R996 VanDerWaalsContact CE1-O 3.3Å; Y823-R996 WeakPolarHBondContact CE1-O 3.37Å; Y823-R996 PolarHBondContact OH-O 3.09Å; Y823-I998 HydrophobicContact CD1-CD1 3.86Å; Y823-I998 HydrophobicContact CD1-CG1 3.61Å; Y823-I998 HydrophobicContact CE1-CD1 4.23Å; Y823-I998 HydrophobicContact CE1-CG1 4.01Å
824P93.2Very high90.9Very high22 Ų2259.9 Ų59.914%0.14331%0.305CS..  trans-68.612017627-32.5000109.8I829 L846 V990 I998P824-I829 HydrophobicContact CB-CG2 3.76Å; P824-I829 HydrophobicContact CG-CG2 3.59Å; P824-L846 HydrophobicContact CG-CD1 3.82Å; P824-V990 HydrophobicContact CB-CG2 4.39Å; P824-V990 HydrophobicContact CG-CG2 4.28Å; P824-I998 HydrophobicContact CG-CD1 3.98Å
825K89.4Confident91Very high106 Ų10655.2 Ų55.246%0.46129%0.292SS..  trans-83.9-21.3-177.5-62.9174.5-175.8173.50112.5P819 D821 Y823P819-K825 HydrophobicContact CG-CD 4.46Å; P819-K825 HydrophobicContact CG-CG 4.11Å; D821-K825 IonicContact OD1-NZ 3.23Å; Y823-K825 PolarHBondContact O-N 3.21Å
826N90.1Very high91.3Very high126 Ų12651.4 Ų51.467%0.67427%0.272SS*.SBendtrans-159.2178172.758.141.7000110.6
827G93.7Very high91.6Very high34 Ų3452.5 Ų52.535%0.35128%0.276SS..EExtended strand (participates in β ladder)trans94.1-176.1170.700000115.7V989 V990G827-V989 CarbonylContact O-C 3.27Å; G827-V989 WeakPolarHBondContact O-CA 3.48Å; G827-V990 PolarHBondContact O-N 3.03Å
828L95.4Very high91.8Very high114 Ų11452.1 Ų52.160%0.59727%0.274SS*.EExtended strand (participates in β ladder)trans-82.9128.7177.5-179.371.1000110.1H987 V989L828-H987 HydrophobicContact CD1-CB 4.27Å; L828-V989 HydrophobicContact CD1-CG2 4.03Å
829I96.1Very high92Very high10 Ų1045.8 Ų45.85%0.05124%0.241CC..EExtended strand (participates in β ladder)trans-115.2142.9175.857.1163.8000111P824 F831 L846 L948 H987 A988 V990P824-I829 HydrophobicContact CB-CG2 3.76Å; P824-I829 HydrophobicContact CG-CG2 3.59Å; I829-F831 HydrophobicContact CD1-CD1 3.87Å; I829-F831 HydrophobicContact CD1-CE1 4.14Å; I829-F831 HydrophobicContact CG1-CD1 4.04Å; I829-F831 HydrophobicContact CG1-CE1 4.29Å; I829-L846 HydrophobicContact CB-CD2 4.14Å; I829-L846 HydrophobicContact CD1-CD2 4.1Å; I829-L846 HydrophobicContact CG2-CD2 4.43Å; I829-L948 HydrophobicContact CD1-CD1 4.02Å; I829-H987 WeakPolarHBondContact O-CA 3.26Å; I829-H987 WeakPolarHBondContact O-CB 3.42Å; I829-A988 HydrophobicContact CG1-CB 4.27Å; I829-A988 VanDerWaalsContact CG1-O 3.3Å; I829-A988 WeakPolarHBondContact CG1-O 3.28Å; I829-A988 PolarHBondContact N-O 3.25Å; I829-A988 PolarHBondContact O-N 3.47Å; I829-V990 HydrophobicContact CD1-CG2 4.01Å; I829-V990 HydrophobicContact CG1-CG2 4.07Å; I829-V990 HydrophobicContact CG2-CG2 3.73Å
830R95.3Very high92.2Very high120 Ų12045.7 Ų45.745%0.45324%0.241SC..EExtended strand (participates in β ladder)trans-111.3133.3166.5-62.1179-71.3-134.34.2110.2S847 D848 F986 H987R830-S847 PolarHBondContact O-N 2.72Å; R830-D848 WeakPolarHBondContact CB-OD2 3.46Å; R830-D848 IonicContact CZ-OD1 3.45Å; R830-D848 VanDerWaalsContact CZ-OD1 3.27Å; R830-D848 IonicContact CZ-OD2 2.73Å; R830-D848 IonicContact NE-OD1 3.71Å; R830-D848 PolarHBondContact NE-OD1 3.37Å; R830-D848 IonicContact NE-OD2 2.67Å; R830-D848 PolarHBondContact NE-OD2 3.42Å; R830-D848 VanDerWaalsContact NH2-CG 3.33Å; R830-D848 IonicContact NH2-OD1 2.7Å; R830-D848 PolarHBondContact NH2-OD1 3.37Å; R830-D848 IonicContact NH2-OD2 3.45Å; R830-D848 PolarHBondContact NH2-OD2 3.04Å; R830-F986 WeakPolarHBondContact CA-O 3.39Å; R830-H987 HydrophobicContact CG-CB 4.41Å
831F94.3Very high92.4Very high0 Ų044.4 Ų44.40%023%0.233CC..EExtended strand (participates in β ladder)trans-148163-172.560.2-90.3000113.6I829 V833 V844 R845 L846 L948 F986 A988 I1003I829-F831 HydrophobicContact CD1-CD1 3.87Å; I829-F831 HydrophobicContact CD1-CE1 4.14Å; I829-F831 HydrophobicContact CG1-CD1 4.04Å; I829-F831 HydrophobicContact CG1-CE1 4.29Å; F831-V833 HydrophobicContact CD2-CG2 4.22Å; F831-V833 HydrophobicContact CE2-CG2 3.95Å; F831-V844 HydrophobicContact CB-CB 4.15Å; F831-V844 HydrophobicContact CB-CG2 4.33Å; F831-V844 HydrophobicContact CD2-CB 3.68Å; F831-V844 HydrophobicContact CD2-CG1 3.53Å; F831-V844 HydrophobicContact CD2-CG2 4.29Å; F831-V844 HydrophobicContact CE2-CB 4.4Å; F831-V844 HydrophobicContact CE2-CG1 3.76Å; F831-V844 HydrophobicContact CG-CB 4.13Å; F831-V844 HydrophobicContact CG-CG1 4.38Å; F831-V844 HydrophobicContact CG-CG2 4.35Å; F831-R845 CarbonylContact C-O 3.57Å; F831-R845 WeakPolarHBondContact CA-O 3.47Å; F831-R845 WeakPolarHBondContact CB-O 3.5Å; F831-L846 HydrophobicContact CB-CD2 4.2Å; F831-L948 HydrophobicContact CD1-CD2 4.26Å; F831-L948 HydrophobicContact CD2-CD2 4.24Å; F831-L948 HydrophobicContact CE1-CD2 3.67Å; F831-L948 HydrophobicContact CE2-CD2 3.62Å; F831-L948 HydrophobicContact CZ-CD2 3.29Å; F831-F986 WeakPolarHBondContact CD1-O 3.22Å; F831-F986 HydrophobicContact CD2-CB 4.03Å; F831-F986 HydrophobicContact CE1-CB 4.33Å; F831-F986 HydrophobicContact CE2-CB 3.55Å; F831-F986 HydrophobicContact CE2-CG 4.45Å; F831-F986 HydrophobicContact CZ-CB 3.72Å; F831-F986 PolarHBondContact N-O 2.9Å; F831-F986 PolarHBondContact O-N 3.32Å; F831-A988 HydrophobicContact CE1-CB 3.8Å; F831-A988 HydrophobicContact CZ-CB 4.37Å; F831-I1003 HydrophobicContact CE2-CG2 4.36Å; F831-I1003 HydrophobicContact CZ-CB 4.5Å; F831-I1003 HydrophobicContact CZ-CD1 4.15Å; F831-I1003 HydrophobicContact CZ-CG1 4.09Å; F831-I1003 HydrophobicContact CZ-CG2 3.75Å
832L92.3Very high92.7Very high20 Ų2037.6 Ų37.611%0.10520%0.197CC..EExtended strand (participates in β ladder)trans-109.9130.4171.1-177.359.6000108.5L834 V844 R845 P860 R984L832-L834 PolarHBondContact O-N 2.77Å; L832-V844 CarbonylContact O-C 3.54Å; L832-V844 WeakPolarHBondContact O-CA 3.24Å; L832-R845 PolarHBondContact N-O 3.37Å; L832-R845 PolarHBondContact O-N 2.78Å; L832-P860 HydrophobicContact CD2-CB 3.61Å; L832-P860 HydrophobicContact CD2-CG 3.58Å; L832-P860 HydrophobicContact CG-CG 4.48Å; L832-R984 WeakPolarHBondContact CD1-O 3.43Å
833V91.8Very high92.9Very high26 Ų2635.4 Ų35.416%0.15819%0.187CC..EExtended strand (participates in β ladder)trans-77.3119.6175.8-179.20000109.2F831 L842 V844 F975 F986F831-V833 HydrophobicContact CD2-CG2 4.22Å; F831-V833 HydrophobicContact CE2-CG2 3.95Å; V833-L842 HydrophobicContact CG2-CD1 4.14Å; V833-V844 HydrophobicContact CG2-CG1 4.34Å; V833-F975 HydrophobicContact CB-CD1 4.49Å; V833-F975 HydrophobicContact CG2-CD1 3.93Å; V833-F975 HydrophobicContact CG2-CE1 3.73Å; V833-F975 HydrophobicContact CG2-CZ 4.28Å; V833-F986 HydrophobicContact CG2-CD2 3.89Å; V833-F986 HydrophobicContact CG2-CE2 4.27Å; V833-F986 HydrophobicContact CG2-CG 4.35Å
834L90.1Very high93Very high23 Ų2335 Ų3512%0.1219%0.185CC..EExtended strand (participates in β ladder)trans-86.4-51.5176.2-55.4174.5000110.1L832 A843 R845 F859 P860 A945L832-L834 PolarHBondContact O-N 2.77Å; L834-A843 HydrophobicContact CB-CB 4.48Å; L834-A843 WeakPolarHBondContact CB-O 3.25Å; L834-A843 PolarHBondContact N-O 3.45Å; L834-R845 HydrophobicContact CD1-CB 4.1Å; L834-R845 HydrophobicContact CD2-CB 4.18Å; L834-R845 HydrophobicContact CG-CB 4.24Å; L834-F859 HydrophobicContact CD2-CZ 4.11Å; L834-P860 HydrophobicContact CD2-CG 4.4Å; L834-A945 HydrophobicContact CD1-CB 3.91Å
835V90.4Very high93.1Very high39 Ų3934.2 Ų34.224%0.23618%0.179CC..EExtended strand (participates in β ladder)trans-138.8144.8-179.9-164.80000110Y837 L842 A843 T919V835-Y837 HydrophobicContact CB-CD1 4.37Å; V835-Y837 HydrophobicContact CB-CE1 3.67Å; V835-Y837 HydrophobicContact CG1-CD1 3.77Å; V835-Y837 HydrophobicContact CG1-CE1 3.38Å; V835-Y837 HydrophobicContact CG2-CE1 4.43Å; V835-L842 CarbonylContact O-C 3.58Å; V835-L842 WeakPolarHBondContact O-CA 3.34Å; V835-A843 HydrophobicContact CB-CB 4.27Å; V835-A843 PolarHBondContact N-O 2.68Å; V835-A843 VanDerWaalsContact N-O 3.15Å; V835-A843 PolarHBondContact O-N 2.73Å; V835-T919 WeakPolarHBondContact CG2-O 3.31Å
836C92Very high93.3Very high9 Ų929.5 Ų29.56%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-112.7104.9172.8169.70000108.1L842 R967 F975C836-L842 HydrophobicContact CB-CD2 3.77Å; C836-R967 VanDerWaalsContact O-CD 3.24Å; C836-R967 WeakPolarHBondContact O-CD 3.24Å; C836-R967 VanDerWaalsContact O-CG 3.24Å; C836-R967 WeakPolarHBondContact O-CG 3.06Å; C836-F975 HydrophobicContact CB-CD2 4.18Å; C836-F975 HydrophobicContact CB-CE2 4.05Å
837Y91Very high93.3Very high44 Ų4424.2 Ų24.217%0.17313%0.132CC..EExtended strand (participates in β ladder)trans-81-35.8-179.4-52.8-52.8000112V835 S841 A843 S920 T921 E922 R967V835-Y837 HydrophobicContact CB-CD1 4.37Å; V835-Y837 HydrophobicContact CB-CE1 3.67Å; V835-Y837 HydrophobicContact CG1-CD1 3.77Å; V835-Y837 HydrophobicContact CG1-CE1 3.38Å; V835-Y837 HydrophobicContact CG2-CE1 4.43Å; Y837-S841 PolarHBondContact N-O 3Å; Y837-A843 HydrophobicContact CE2-CB 3.75Å; Y837-A843 VanDerWaalsContact CE2-N 3.35Å; Y837-A843 WeakPolarHBondContact OH-CB 3.49Å; Y837-S920 PolarHBondContact OH-OG 2.68Å; Y837-T921 PolarHBondContact OH-N 3.35Å; Y837-T921 PolarHBondContact OH-OG1 2.73Å; Y837-E922 HydrophobicContact CD1-CG 4.1Å; Y837-E922 HydrophobicContact CE1-CG 3.46Å; Y837-E922 VanDerWaalsContact CE1-CG 3.46Å; Y837-E922 WeakPolarHBondContact CE1-OE1 3.35Å; Y837-E922 WeakPolarHBondContact CE1-OE2 3.47Å; Y837-R967 WeakPolarHBondContact O-CD 3.4Å
838S92.1Very high93.2Very high19 Ų1927 Ų2713%0.13314%0.139CC..EExtended strand (participates in β ladder)trans-155.3172.1175.171.10000110A840 S841S838-A840 PolarHBondContact O-N 2.64Å; S838-A840 PolarHBondContact OG-N 3.17Å; S838-S841 PolarHBondContact N-O 2.7Å; S838-S841 PolarHBondContact O-N 2.85Å; S838-S841 PolarHBondContact OG-N 3.17Å; S838-S841 VanDerWaalsContact OG-N 3.08Å
839P92.8Very high92.9Very high1 Ų125.6 Ų25.61%0.00613%0.129CC..THydrogen-bonded Turntrans-53.7-15.9167.5-29.839000115.8W962 A966 V970 V1015P839-W962 HydrophobicContact CB-CD2 4.21Å; P839-W962 HydrophobicContact CB-CE3 4.07Å; P839-W962 HydrophobicContact CB-CH2 4.05Å; P839-W962 HydrophobicContact CB-CZ2 4.21Å; P839-W962 HydrophobicContact CB-CZ3 3.98Å; P839-W962 HydrophobicContact CG-CD2 3.87Å; P839-W962 HydrophobicContact CG-CE3 3.6Å; P839-W962 HydrophobicContact CG-CG 4.41Å; P839-W962 HydrophobicContact CG-CH2 4.46Å; P839-W962 HydrophobicContact CG-CZ3 3.92Å; P839-A966 HydrophobicContact CG-CB 3.79Å; P839-V970 HydrophobicContact CB-CG2 4.1Å; P839-V970 HydrophobicContact CG-CG2 4.04Å; P839-V1015 HydrophobicContact CB-CG1 3.96Å; P839-V1015 HydrophobicContact CB-CG2 3.78Å
840A93.6Very high92.7Very high10 Ų1026.5 Ų26.58%0.08313%0.133CC..THydrogen-bonded Turntrans-122.4-0.8-175.300000115.2S838 R949 I950 L953 W962S838-A840 PolarHBondContact O-N 2.64Å; S838-A840 PolarHBondContact OG-N 3.17Å; A840-R949 VanDerWaalsContact O-CA 3.25Å; A840-R949 WeakPolarHBondContact O-CA 3.12Å; A840-I950 PolarHBondContact O-N 2.95Å; A840-L953 HydrophobicContact CB-CB 4.07Å; A840-L953 HydrophobicContact CB-CD2 3.97Å; A840-L953 HydrophobicContact CB-CG 3.97Å; A840-L953 VanDerWaalsContact CB-O 3.26Å; A840-L953 WeakPolarHBondContact CB-O 3.25Å; A840-W962 HydrophobicContact CB-CZ2 4.17Å
841S94.3Very high92.5Very high11 Ų1124 Ų248%0.07713%0.133CC..EExtended strand (participates in β ladder)trans-148.5133.7178.3166.40000111.4Y837 S838 D947 L948Y837-S841 PolarHBondContact N-O 3Å; S838-S841 PolarHBondContact N-O 2.7Å; S838-S841 PolarHBondContact O-N 2.85Å; S838-S841 PolarHBondContact OG-N 3.17Å; S838-S841 VanDerWaalsContact OG-N 3.08Å; S841-D947 PolarHBondContact OG-OD1 2.87Å; S841-L948 WeakPolarHBondContact CA-O 3.4Å
842L95.3Very high92.3Very high2 Ų226.1 Ų26.11%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-138.1148.6-172.2-47173.3000109.7V833 V835 C836 V844 D947 L948 F975 I1003V833-L842 HydrophobicContact CG2-CD1 4.14Å; V835-L842 CarbonylContact O-C 3.58Å; V835-L842 WeakPolarHBondContact O-CA 3.34Å; C836-L842 HydrophobicContact CB-CD2 3.77Å; L842-V844 HydrophobicContact CB-CG1 3.9Å; L842-V844 HydrophobicContact CD1-CG1 4.35Å; L842-D947 WeakPolarHBondContact O-CA 3.4Å; L842-L948 PolarHBondContact N-O 2.96Å; L842-L948 PolarHBondContact O-N 3.47Å; L842-F975 HydrophobicContact CD1-CE1 4.25Å; L842-F975 HydrophobicContact CD1-CE2 4.35Å; L842-F975 HydrophobicContact CD1-CZ 3.59Å; L842-F975 HydrophobicContact CD2-CE2 3.62Å; L842-F975 HydrophobicContact CD2-CZ 3.71Å; L842-F975 HydrophobicContact CG-CZ 4.33Å; L842-I1003 HydrophobicContact CD1-CD1 3.49Å; L842-I1003 VanDerWaalsContact CD1-CD1 3.49Å
843A95.1Very high92.1Very high0 Ų027.5 Ų27.50%016%0.16CC..EExtended strand (participates in β ladder)trans-89.9129.5155.400000109.6L834 V835 Y837 T921 M946L834-A843 HydrophobicContact CB-CB 4.48Å; L834-A843 WeakPolarHBondContact CB-O 3.25Å; L834-A843 PolarHBondContact N-O 3.45Å; V835-A843 HydrophobicContact CB-CB 4.27Å; V835-A843 PolarHBondContact N-O 2.68Å; V835-A843 VanDerWaalsContact N-O 3.15Å; V835-A843 PolarHBondContact O-N 2.73Å; Y837-A843 HydrophobicContact CE2-CB 3.75Å; Y837-A843 VanDerWaalsContact CE2-N 3.35Å; Y837-A843 WeakPolarHBondContact OH-CB 3.49Å; A843-T921 HydrophobicContact CB-CG2 4.33Å; A843-M946 WeakPolarHBondContact CA-O 3.47Å
844V95Very high91.9Very high0 Ų029.5 Ų29.50%017%0.169CC..EExtended strand (participates in β ladder)trans-130.1158.1-177.5-53.80000111F831 L832 V833 L842 M946 L948F831-V844 HydrophobicContact CB-CB 4.15Å; F831-V844 HydrophobicContact CB-CG2 4.33Å; F831-V844 HydrophobicContact CD2-CB 3.68Å; F831-V844 HydrophobicContact CD2-CG1 3.53Å; F831-V844 HydrophobicContact CD2-CG2 4.29Å; F831-V844 HydrophobicContact CE2-CB 4.4Å; F831-V844 HydrophobicContact CE2-CG1 3.76Å; F831-V844 HydrophobicContact CG-CB 4.13Å; F831-V844 HydrophobicContact CG-CG1 4.38Å; F831-V844 HydrophobicContact CG-CG2 4.35Å; L832-V844 CarbonylContact O-C 3.54Å; L832-V844 WeakPolarHBondContact O-CA 3.24Å; V833-V844 HydrophobicContact CG2-CG1 4.34Å; L842-V844 HydrophobicContact CB-CG1 3.9Å; L842-V844 HydrophobicContact CD1-CG1 4.35Å; V844-M946 HydrophobicContact CG2-CB 4.34Å; V844-M946 PolarHBondContact N-O 2.96Å; V844-M946 PolarHBondContact O-N 3.4Å; V844-L948 HydrophobicContact CG1-CB 3.9Å; V844-L948 HydrophobicContact CG1-CD2 3.87Å; V844-L948 HydrophobicContact CG2-CB 3.78Å; V844-L948 HydrophobicContact CG2-CD2 4.2Å
845R94.4Very high91.6Very high4 Ų432.2 Ų32.22%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-121127.8168-177.4168.181.6-160.2-6.5110.5F831 L832 L834 S847 F850 T852 M861 E944F831-R845 CarbonylContact C-O 3.57Å; F831-R845 WeakPolarHBondContact CA-O 3.47Å; F831-R845 WeakPolarHBondContact CB-O 3.5Å; L832-R845 PolarHBondContact N-O 3.37Å; L832-R845 PolarHBondContact O-N 2.78Å; L834-R845 HydrophobicContact CD1-CB 4.1Å; L834-R845 HydrophobicContact CD2-CB 4.18Å; L834-R845 HydrophobicContact CG-CB 4.24Å; R845-S847 PolarHBondContact O-N 3.2Å; R845-F850 HydrophobicContact CG-CB 3.6Å; R845-F850 HydrophobicContact CG-CD2 4.26Å; R845-F850 HydrophobicContact CG-CG 4.35Å; R845-F850 PolarHBondContact NE-O 2.75Å; R845-T852 PolarHBondContact NH2-OG1 2.97Å; R845-M861 PolarHBondContact NH2-O 2.86Å; R845-E944 WeakPolarHBondContact CD-OE2 3.45Å; R845-E944 HydrophobicContact CG-CB 4.23Å; R845-E944 IonicContact CZ-OE2 3.45Å; R845-E944 IonicContact NE-OE2 2.7Å; R845-E944 IonicContact NH1-OE2 2.7Å; R845-E944 PolarHBondContact NH1-OE2 3.3Å
846L94.6Very high91.3Very high7 Ų733.3 Ų33.34%0.03718%0.179CC..EExtended strand (participates in β ladder)trans-67116.3177.7-57.8-177000110P824 I829 F831 D848 Q849 F850 M946P824-L846 HydrophobicContact CG-CD1 3.82Å; I829-L846 HydrophobicContact CB-CD2 4.14Å; I829-L846 HydrophobicContact CD1-CD2 4.1Å; I829-L846 HydrophobicContact CG2-CD2 4.43Å; F831-L846 HydrophobicContact CB-CD2 4.2Å; L846-D848 VanDerWaalsContact C-N 3.27Å; L846-D848 PolarHBondContact O-N 2.96Å; L846-Q849 HydrophobicContact CB-CB 4.29Å; L846-Q849 HydrophobicContact CB-CG 4.43Å; L846-Q849 HydrophobicContact CD1-CG 4.48Å; L846-Q849 PolarHBondContact O-N 3.28Å; L846-F850 PolarHBondContact O-N 2.92Å; L846-M946 HydrophobicContact CD1-CE 3.76Å; L846-M946 HydrophobicContact CD1-SD 3.57Å; L846-M946 VanDerWaalsContact CD1-SD 3.57Å; L846-M946 HydrophobicContact CD2-SD 4.38Å; L846-M946 HydrophobicContact CG-CE 4.19Å; L846-M946 HydrophobicContact CG-SD 3.7Å
847S91.1Very high90.7Very high16 Ų1638.1 Ų38.111%0.11220%0.203CC..THydrogen-bonded Turntrans-72.8-22.4-173.6-66.70000113.3R830 R845 Q985R830-S847 PolarHBondContact O-N 2.72Å; R845-S847 PolarHBondContact O-N 3.2Å; S847-Q985 VanDerWaalsContact CB-NE2 3.34Å
848D90Very high90.2Very high92 Ų9242.3 Ų42.349%0.49223%0.229SC..THydrogen-bonded Turntrans-82.3-21.9178.8-60.7-47.4000113.2R830 L846R830-D848 WeakPolarHBondContact CB-OD2 3.46Å; R830-D848 IonicContact CZ-OD1 3.45Å; R830-D848 VanDerWaalsContact CZ-OD1 3.27Å; R830-D848 IonicContact CZ-OD2 2.73Å; R830-D848 IonicContact NE-OD1 3.71Å; R830-D848 PolarHBondContact NE-OD1 3.37Å; R830-D848 IonicContact NE-OD2 2.67Å; R830-D848 PolarHBondContact NE-OD2 3.42Å; R830-D848 VanDerWaalsContact NH2-CG 3.33Å; R830-D848 IonicContact NH2-OD1 2.7Å; R830-D848 PolarHBondContact NH2-OD1 3.37Å; R830-D848 IonicContact NH2-OD2 3.45Å; R830-D848 PolarHBondContact NH2-OD2 3.04Å; L846-D848 VanDerWaalsContact C-N 3.27Å; L846-D848 PolarHBondContact O-N 2.96Å
849Q90.3Very high89.7Confident85 Ų8543 Ų4340%0.39723%0.229SC..THydrogen-bonded Turntrans-100.1-41.3175.6-66.4-177.7-2.600111.9H822 L846 P851H822-Q849 PolarHBondContact O-NE2 2.97Å; H822-Q849 PolarHBondContact O-OE1 3.32Å; L846-Q849 HydrophobicContact CB-CB 4.29Å; L846-Q849 HydrophobicContact CB-CG 4.43Å; L846-Q849 HydrophobicContact CD1-CG 4.48Å; L846-Q849 PolarHBondContact O-N 3.28Å; Q849-P851 WeakPolarHBondContact O-CD 3.28Å
850F92.1Very high89.3Confident29 Ų2943.5 Ų43.513%0.12723%0.233CC..SBendtrans-127.477-172.4-50.8-69.1000109.7R845 L846 P942 E944 M946R845-F850 HydrophobicContact CG-CB 3.6Å; R845-F850 HydrophobicContact CG-CD2 4.26Å; R845-F850 HydrophobicContact CG-CG 4.35Å; R845-F850 PolarHBondContact NE-O 2.75Å; L846-F850 PolarHBondContact O-N 2.92Å; F850-P942 HydrophobicContact CE1-CG 3.92Å; F850-P942 HydrophobicContact CZ-CB 4.47Å; F850-P942 HydrophobicContact CZ-CG 3.97Å; F850-E944 HydrophobicContact CB-CG 4.27Å; F850-E944 HydrophobicContact CD1-CG 3.87Å; F850-E944 HydrophobicContact CD2-CG 4.43Å; F850-E944 HydrophobicContact CE1-CG 4.33Å; F850-E944 HydrophobicContact CG-CB 4.42Å; F850-E944 HydrophobicContact CG-CG 3.93Å; F850-M946 HydrophobicContact CE2-CE 4.05Å
851P90.9Very high89.1Confident68 Ų6843.7 Ų43.744%0.44223%0.232SC..  trans-62.2162.7-179.326.8-35.1000111.9Q849 S862Q849-P851 WeakPolarHBondContact O-CD 3.28Å; P851-S862 WeakPolarHBondContact O-CA 3.42Å
852T89.4Confident89Confident44 Ų4443.3 Ų43.327%0.2723%0.229SC..  trans-92104.8177.2-57.40000109.8R845 P860 M861R845-T852 PolarHBondContact NH2-OG1 2.97Å; T852-P860 HydrophobicContact CG2-CB 3.57Å; T852-M861 CarbonylContact C-O 3.55Å; T852-M861 WeakPolarHBondContact CA-O 3.27Å
853A88.5Confident88.9Confident49 Ų4947.6 Ų47.641%0.40525%0.253SS..  trans-73.8-49.2178.100000111.9M861 D863A853-M861 PolarHBondContact N-O 2.52Å; A853-D863 WeakPolarHBondContact CB-OD1 3.1Å
854I87.8Confident88.8Confident68 Ų6848.2 Ų48.235%0.34926%0.256SS..EExtended strand (participates in β ladder)trans-140.2162.9-174.2-163.1163.8000112.2M861 E866I854-M861 HydrophobicContact CG2-CB 3.94Å; I854-M861 HydrophobicContact CG2-CE 3.69Å; I854-M861 PolarHBondContact N-O 3.2Å; I854-M861 PolarHBondContact O-N 2.78Å; I854-E866 VanDerWaalsContact CB-OE2 3.24Å; I854-E866 WeakPolarHBondContact CB-OE2 3.48Å; I854-E866 HydrophobicContact CG2-CB 4.08Å; I854-E866 HydrophobicContact CG2-CG 4.06Å; I854-E866 WeakPolarHBondContact CG2-OE2 3.36Å
855R83.9Confident88.7Confident80 Ų8048.9 Ų48.930%0.30226%0.263SS..EExtended strand (participates in β ladder)trans-116.5108.7168.2-73.9-176.8172.4-80.6-7.6111.2N858 F859 R982 N983R855-N858 PolarHBondContact NH1-O 3.28Å; R855-F859 CarbonylContact C-O 3.58Å; R855-F859 VanDerWaalsContact CA-O 3.25Å; R855-F859 WeakPolarHBondContact CA-O 3.5Å; R855-R982 PolarHBondContact NH2-O 3.27Å; R855-N983 PolarHBondContact NE-OD1 2.92Å; R855-N983 VanDerWaalsContact NE-OD1 3.13Å; R855-N983 PolarHBondContact NH2-OD1 3.11Å
856F82.6Confident88.6Confident62 Ų6250.3 Ų50.327%0.27227%0.27SS..EExtended strand (participates in β ladder)trans-103.1125177.5-179.5-98.6000109.7N858 F859 M861 Q869 R897F856-N858 PolarHBondContact O-N 3.33Å; F856-F859 PolarHBondContact N-O 3.03Å; F856-F859 WeakPolarHBondContact O-CA 3.34Å; F856-F859 WeakPolarHBondContact O-CB 3.16Å; F856-F859 PolarHBondContact O-N 3.13Å; F856-M861 HydrophobicContact CB-CE 3.61Å; F856-M861 HydrophobicContact CB-CG 4.36Å; F856-M861 HydrophobicContact CB-SD 3.8Å; F856-M861 HydrophobicContact CD1-SD 4.46Å; F856-M861 HydrophobicContact CG-CE 4.23Å; F856-M861 HydrophobicContact CG-SD 4.39Å; F856-Q869 HydrophobicContact CZ-CG 4.39Å; F856-R897 HydrophobicContact CD1-CG 3.98Å; F856-R897 HydrophobicContact CE1-CG 4.07Å
857L80.9Confident88.6Confident109 Ų10955.6 Ų55.657%0.57129%0.289SS*.THydrogen-bonded Turntrans49.540-172.4-55.6177.4000112.7F859 N896L857-F859 PolarHBondContact O-N 3.33Å; L857-N896 HydrophobicContact CD1-CB 4.01Å
858N78.8Confident88.8Confident133 Ų13355 Ų5571%0.71128%0.284SS*.THydrogen-bonded Turntrans66.8-11.5-170.4-58.1-72.1000116.7R855 F856R855-N858 PolarHBondContact NH1-O 3.28Å; F856-N858 PolarHBondContact O-N 3.33Å
859F81.8Confident89Confident32 Ų3251 Ų5114%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-74.2134.5178.3-168.6-88.8000111.7L834 R855 F856 L857 M861 T919L834-F859 HydrophobicContact CD2-CZ 4.11Å; R855-F859 CarbonylContact C-O 3.58Å; R855-F859 VanDerWaalsContact CA-O 3.25Å; R855-F859 WeakPolarHBondContact CA-O 3.5Å; F856-F859 PolarHBondContact N-O 3.03Å; F856-F859 WeakPolarHBondContact O-CA 3.34Å; F856-F859 WeakPolarHBondContact O-CB 3.16Å; F856-F859 PolarHBondContact O-N 3.13Å; L857-F859 PolarHBondContact O-N 3.33Å; F859-M861 HydrophobicContact CD1-CG 4.24Å; F859-M861 PolarHBondContact O-N 2.97Å; F859-T919 HydrophobicContact CD1-CG2 4.48Å; F859-T919 HydrophobicContact CE1-CG2 3.53Å; F859-T919 HydrophobicContact CZ-CG2 3.76Å
860P85.7Confident89.1Confident12 Ų1254.4 Ų54.48%0.07827%0.272CS..EExtended strand (participates in β ladder)trans-76.7118179.931.1-33.2000111.8L832 L834 T852L832-P860 HydrophobicContact CD2-CB 3.61Å; L832-P860 HydrophobicContact CD2-CG 3.58Å; L832-P860 HydrophobicContact CG-CG 4.48Å; L834-P860 HydrophobicContact CD2-CG 4.4Å; T852-P860 HydrophobicContact CG2-CB 3.57Å
861M88.4Confident89.3Confident15 Ų1555.1 Ų55.17%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-108.9158.6174.8-53.9-163-45.600110.8R845 T852 A853 I854 F856 F859 E866 Q869R845-M861 PolarHBondContact NH2-O 2.86Å; T852-M861 CarbonylContact C-O 3.55Å; T852-M861 WeakPolarHBondContact CA-O 3.27Å; A853-M861 PolarHBondContact N-O 2.52Å; I854-M861 HydrophobicContact CG2-CB 3.94Å; I854-M861 HydrophobicContact CG2-CE 3.69Å; I854-M861 PolarHBondContact N-O 3.2Å; I854-M861 PolarHBondContact O-N 2.78Å; F856-M861 HydrophobicContact CB-CE 3.61Å; F856-M861 HydrophobicContact CB-CG 4.36Å; F856-M861 HydrophobicContact CB-SD 3.8Å; F856-M861 HydrophobicContact CD1-SD 4.46Å; F856-M861 HydrophobicContact CG-CE 4.23Å; F856-M861 HydrophobicContact CG-SD 4.39Å; F859-M861 HydrophobicContact CD1-CG 4.24Å; F859-M861 PolarHBondContact O-N 2.97Å; M861-E866 HydrophobicContact CE-CB 4.36Å; M861-Q869 HydrophobicContact CE-CB 4.16Å
862S92.4Very high89.5Confident2 Ų251.9 Ų51.91%0.01426%0.255CS..  trans-96.3179.9171.160.20000110.4P851 L864 G865 E866 E944P851-S862 WeakPolarHBondContact O-CA 3.42Å; S862-L864 PolarHBondContact O-N 3.19Å; S862-L864 PolarHBondContact OG-N 2.76Å; S862-G865 PolarHBondContact O-N 3.07Å; S862-G865 PolarHBondContact OG-N 3.06Å; S862-E866 VanDerWaalsContact O-CB 3.26Å; S862-E866 WeakPolarHBondContact O-CB 3.25Å; S862-E866 PolarHBondContact O-N 2.87Å; S862-E944 WeakPolarHBondContact CB-OE1 3.46Å; S862-E944 VanDerWaalsContact CB-OE2 3.28Å; S862-E944 WeakPolarHBondContact CB-OE2 3.47Å; S862-E944 PolarHBondContact OG-OE1 3.49Å; S862-E944 PolarHBondContact OG-OE2 3.06Å
863D92.8Very high89.7Confident93 Ų9353.4 Ų53.450%0.49726%0.259SS..Hα-helixtrans-59.8-26.5168.4-52.4-74.4000112.9A853 R867A853-D863 WeakPolarHBondContact CB-OD1 3.1Å; D863-R867 WeakPolarHBondContact O-CB 3.38Å; D863-R867 WeakPolarHBondContact O-CG 3.4Å; D863-R867 PolarHBondContact O-N 2.87Å; D863-R867 PolarHBondContact O-NE 3.36Å; D863-R867 VanDerWaalsContact O-NE 3.12Å
864L93.2Very high90Very high12 Ų1256.3 Ų56.36%0.06327%0.267CS..Hα-helixtrans-75.7-50.9173.7178.561.1000111S862 E866 R867 V868 F938 E944S862-L864 PolarHBondContact O-N 3.19Å; S862-L864 PolarHBondContact OG-N 2.76Å; L864-E866 VanDerWaalsContact C-N 3.26Å; L864-E866 PolarHBondContact O-N 3.37Å; L864-R867 PolarHBondContact O-N 3.49Å; L864-R867 VanDerWaalsContact O-N 3.14Å; L864-V868 HydrophobicContact CD1-CG2 4.17Å; L864-V868 HydrophobicContact CG-CG2 4.5Å; L864-V868 WeakPolarHBondContact O-CG2 3.47Å; L864-V868 PolarHBondContact O-N 3.09Å; L864-F938 HydrophobicContact CD1-CD1 3.94Å; L864-E944 WeakPolarHBondContact CB-OE1 3.47Å
865G92.3Very high90.2Very high15 Ų1559.9 Ų59.916%0.15528%0.282CS..Hα-helixtrans-59.8-36.7176.800000112.8S862 Q869S862-G865 PolarHBondContact O-N 3.07Å; S862-G865 PolarHBondContact OG-N 3.06Å; G865-Q869 WeakPolarHBondContact O-CB 3.42Å; G865-Q869 PolarHBondContact O-N 2.92Å
866E93.3Very high90.7Very high33 Ų3360.1 Ų60.115%0.15430%0.301CS..Hα-helixtrans-66.5-41.7174.2-173.2173.5147.500112.6I854 M861 S862 L864 R870I854-E866 VanDerWaalsContact CB-OE2 3.24Å; I854-E866 WeakPolarHBondContact CB-OE2 3.48Å; I854-E866 HydrophobicContact CG2-CB 4.08Å; I854-E866 HydrophobicContact CG2-CG 4.06Å; I854-E866 WeakPolarHBondContact CG2-OE2 3.36Å; M861-E866 HydrophobicContact CE-CB 4.36Å; S862-E866 VanDerWaalsContact O-CB 3.26Å; S862-E866 WeakPolarHBondContact O-CB 3.25Å; S862-E866 PolarHBondContact O-N 2.87Å; L864-E866 VanDerWaalsContact C-N 3.26Å; L864-E866 PolarHBondContact O-N 3.37Å; E866-R870 WeakPolarHBondContact O-CB 3.3Å; E866-R870 WeakPolarHBondContact O-CG 3.49Å; E866-R870 PolarHBondContact O-N 3.06Å; E866-R870 IonicContact OE1-CZ 2.84Å; E866-R870 IonicContact OE1-NH1 3.5Å; E866-R870 PolarHBondContact OE1-NH1 2.96Å; E866-R870 IonicContact OE1-NH2 3.32Å; E866-R870 PolarHBondContact OE1-NH2 3.02Å
867R94.4Very high91.1Very high119 Ų11959.1 Ų59.145%0.44930%0.299SS..Hα-helixtrans-67-42.9174.2-75.3-179-59.31432.2112.3D863 L864 R870 H871 F938D863-R867 WeakPolarHBondContact O-CB 3.38Å; D863-R867 WeakPolarHBondContact O-CG 3.4Å; D863-R867 PolarHBondContact O-N 2.87Å; D863-R867 PolarHBondContact O-NE 3.36Å; D863-R867 VanDerWaalsContact O-NE 3.12Å; L864-R867 PolarHBondContact O-N 3.49Å; L864-R867 VanDerWaalsContact O-N 3.14Å; R867-R870 PolarHBondContact O-N 2.72Å; R867-H871 VanDerWaalsContact O-CB 3.3Å; R867-H871 WeakPolarHBondContact O-CB 3.44Å; R867-H871 PolarHBondContact O-N 3.5Å; R867-F938 HydrophobicContact CB-CE1 3.87Å; R867-F938 HydrophobicContact CB-CZ 4.25Å
868V94.6Very high91.7Very high2 Ų256.8 Ų56.81%0.01228%0.282CS..Hα-helixtrans-62.1-48.9176.7172.80000110.3L864 R870 H871 Y872 R900 F938L864-V868 HydrophobicContact CD1-CG2 4.17Å; L864-V868 HydrophobicContact CG-CG2 4.5Å; L864-V868 WeakPolarHBondContact O-CG2 3.47Å; L864-V868 PolarHBondContact O-N 3.09Å; V868-R870 PolarHBondContact O-N 3.29Å; V868-H871 PolarHBondContact O-N 2.97Å; V868-Y872 HydrophobicContact CG1-CD2 4.05Å; V868-Y872 HydrophobicContact CG1-CE2 4.38Å; V868-Y872 WeakPolarHBondContact O-CD2 3.46Å; V868-Y872 PolarHBondContact O-N 2.86Å; V868-Y872 VanDerWaalsContact O-N 3.1Å; V868-R900 HydrophobicContact CG1-CG 4.42Å; V868-R900 HydrophobicContact CG2-CG 4.13Å; V868-F938 HydrophobicContact CG2-CB 4.38Å; V868-F938 HydrophobicContact CG2-CD1 3.82Å; V868-F938 HydrophobicContact CG2-CD2 3.92Å; V868-F938 HydrophobicContact CG2-CE1 4.02Å; V868-F938 HydrophobicContact CG2-CE2 4.11Å; V868-F938 HydrophobicContact CG2-CG 3.79Å; V868-F938 HydrophobicContact CG2-CZ 4.16Å
869Q94.6Very high92.4Very high10 Ų1056.1 Ų56.15%0.04728%0.275CS..Hα-helixtrans-57.1-52176.2-172.774.232.100111.3F856 M861 G865 H871 Y872 E873 N896F856-Q869 HydrophobicContact CZ-CG 4.39Å; M861-Q869 HydrophobicContact CE-CB 4.16Å; G865-Q869 WeakPolarHBondContact O-CB 3.42Å; G865-Q869 PolarHBondContact O-N 2.92Å; Q869-H871 VanDerWaalsContact C-N 3.29Å; Q869-H871 PolarHBondContact O-N 2.97Å; Q869-Y872 PolarHBondContact O-N 3.12Å; Q869-E873 PolarHBondContact NE2-OE2 3.22Å; Q869-E873 WeakPolarHBondContact O-CB 3.32Å; Q869-E873 PolarHBondContact O-N 3.3Å; Q869-N896 PolarHBondContact NE2-O 3.12Å
870R93.6Very high92.9Very high155 Ų15560 Ų6059%0.58530%0.295SS*.Hα-helixtrans-60.1-37.2-180-78.7-170.2-178.6118.913113E866 R867 V868E866-R870 WeakPolarHBondContact O-CB 3.3Å; E866-R870 WeakPolarHBondContact O-CG 3.49Å; E866-R870 PolarHBondContact O-N 3.06Å; E866-R870 IonicContact OE1-CZ 2.84Å; E866-R870 IonicContact OE1-NH1 3.5Å; E866-R870 PolarHBondContact OE1-NH1 2.96Å; E866-R870 IonicContact OE1-NH2 3.32Å; E866-R870 PolarHBondContact OE1-NH2 3.02Å; R867-R870 PolarHBondContact O-N 2.72Å; V868-R870 PolarHBondContact O-N 3.29Å
871H95.2Very high93.1Very high44 Ų4459.7 Ų59.720%0.20429%0.292CS..Hα-helixtrans-68.4-51.6-179-174.887.2000111.6R867 V868 Q869 L874 N877 F938R867-H871 VanDerWaalsContact O-CB 3.3Å; R867-H871 WeakPolarHBondContact O-CB 3.44Å; R867-H871 PolarHBondContact O-N 3.5Å; V868-H871 PolarHBondContact O-N 2.97Å; Q869-H871 VanDerWaalsContact C-N 3.29Å; Q869-H871 PolarHBondContact O-N 2.97Å; H871-L874 PolarHBondContact O-N 3.28Å; H871-N877 WeakPolarHBondContact O-CB 3.4Å; H871-N877 PolarHBondContact O-ND2 3.16Å; H871-F938 HydrophobicContact CB-CE2 3.73Å; H871-F938 HydrophobicContact CB-CZ 3.81Å; H871-F938 AromaticContact CD2-CE2 3.89Å; H871-F938 AromaticContact CG-CE2 3.74Å
872Y95.4Very high92.8Very high0 Ų064.4 Ų64.40%032%0.324CS..Hα-helixtrans-84.1-10.9-175-70-82.9000114.6V868 Q869 L874 R878 V891 Y898 S933 C934 V935 F938V868-Y872 HydrophobicContact CG1-CD2 4.05Å; V868-Y872 HydrophobicContact CG1-CE2 4.38Å; V868-Y872 WeakPolarHBondContact O-CD2 3.46Å; V868-Y872 PolarHBondContact O-N 2.86Å; V868-Y872 VanDerWaalsContact O-N 3.1Å; Q869-Y872 PolarHBondContact O-N 3.12Å; Y872-L874 PolarHBondContact O-N 3.23Å; Y872-R878 VanDerWaalsContact O-CG 3.32Å; Y872-R878 WeakPolarHBondContact O-CG 3.34Å; Y872-R878 PolarHBondContact O-NE 3.35Å; Y872-V891 HydrophobicContact CD1-CG1 4.44Å; Y872-V891 HydrophobicContact CD2-CG1 3.99Å; Y872-V891 HydrophobicContact CD2-CG2 4.42Å; Y872-V891 HydrophobicContact CE1-CB 4.43Å; Y872-V891 HydrophobicContact CE2-CB 4.25Å; Y872-V891 HydrophobicContact CE2-CG1 4.12Å; Y872-V891 HydrophobicContact CE2-CG2 3.74Å; Y872-V891 HydrophobicContact CG-CG1 4.16Å; Y872-Y898 VanDerWaalsContact CB-CD1 3.44Å; Y872-Y898 VanDerWaalsContact CB-CG 3.44Å; Y872-Y898 HydrophobicContact CG-CD1 4.28Å; Y872-Y898 HydrophobicContact CG-CG 4.46Å; Y872-Y898 WeakPolarHBondContact O-CE2 3.4Å; Y872-Y898 VanDerWaalsContact O-CZ 3.24Å; Y872-Y898 PolarHBondContact O-OH 3.03Å; Y872-S933 PolarHBondContact OH-O 3.46Å; Y872-C934 WeakPolarHBondContact OH-CA 3.31Å; Y872-V935 PolarHBondContact OH-N 3.35Å; Y872-V935 VanDerWaalsContact OH-N 3.17Å; Y872-F938 HydrophobicContact CD2-CE2 4.48Å; Y872-F938 AromaticContact CE2-CD2 3.91Å; Y872-F938 HydrophobicContact CE2-CD2 3.91Å; Y872-F938 AromaticContact CE2-CE2 3.89Å; Y872-F938 HydrophobicContact CE2-CE2 3.89Å
873E93.9Very high92.6Very high77 Ų7769.8 Ų69.836%0.3635%0.353SS..Hα-helixtrans-65-27.3167.5-151.372.5-107.600111.7Q869 E875 R878 K893 Y898Q869-E873 PolarHBondContact NE2-OE2 3.22Å; Q869-E873 WeakPolarHBondContact O-CB 3.32Å; Q869-E873 PolarHBondContact O-N 3.3Å; E873-E875 PolarHBondContact O-N 2.63Å; E873-R878 PolarHBondContact O-NH2 3.33Å; E873-K893 IonicContact OE1-NZ 3.49Å; E873-K893 PolarHBondContact OE1-NZ 3.33Å; E873-Y898 HydrophobicContact CB-CE2 4.48Å
874L94.9Very high92.4Very high109 Ų10966 Ų6657%0.57133%0.333SS*.SBendtrans-74.3121171.1-58.8177.4000110.5H871 Y872 A876 N877H871-L874 PolarHBondContact O-N 3.28Å; Y872-L874 PolarHBondContact O-N 3.23Å; L874-A876 VanDerWaalsContact C-N 3.27Å; L874-A876 PolarHBondContact O-N 3.29Å; L874-N877 PolarHBondContact O-N 2.87Å
875E91.7Very high92.2Very high144 Ų14468.9 Ų68.967%0.67335%0.351SS*.G310 helixtrans-63.4-34.8-171.6-41.5-139.9119.500112.6E873 N877 R878E873-E875 PolarHBondContact O-N 2.63Å; E875-N877 PolarHBondContact O-N 2.82Å; E875-N877 VanDerWaalsContact O-N 3.09Å; E875-R878 WeakPolarHBondContact O-CB 3.37Å; E875-R878 PolarHBondContact O-N 2.91Å; E875-R878 IonicContact OE1-CZ 2.66Å; E875-R878 VanDerWaalsContact OE1-CZ 3.26Å; E875-R878 IonicContact OE1-NH1 2.67Å; E875-R878 PolarHBondContact OE1-NH1 2.98Å; E875-R878 IonicContact OE1-NH2 3.06Å; E875-R878 PolarHBondContact OE1-NH2 3.21Å; E875-R878 VanDerWaalsContact OE1-NH2 3.14Å
876A93.3Very high91.9Very high85 Ų8570.9 Ų70.970%0.70236%0.361SS*.G310 helixtrans-61.3-14.9176.300000114.6L874 H879L874-A876 VanDerWaalsContact C-N 3.27Å; L874-A876 PolarHBondContact O-N 3.29Å; A876-H879 PolarHBondContact O-CE1 2.94Å
877N92.6Very high91.5Very high41 Ų4171.6 Ų71.622%0.21938%0.377CS..G310 helixtrans-95.5-11176-66.4-26.3000113.1H871 L874 E875 H879H871-N877 WeakPolarHBondContact O-CB 3.4Å; H871-N877 PolarHBondContact O-ND2 3.16Å; L874-N877 PolarHBondContact O-N 2.87Å; E875-N877 PolarHBondContact O-N 2.82Å; E875-N877 VanDerWaalsContact O-N 3.09Å; N877-H879 PolarHBondContact O-N 2.71Å; N877-H879 PolarHBondContact O-ND1 3Å; N877-H879 VanDerWaalsContact O-ND1 3.09Å
878R93Very high91.3Very high59 Ų5969 Ų6922%0.22337%0.37CS..  trans-81.452.1-171.9-58.1-178.2-164.3154.57113.2Y872 E873 E875 M880 Y898 Y932Y872-R878 VanDerWaalsContact O-CG 3.32Å; Y872-R878 WeakPolarHBondContact O-CG 3.34Å; Y872-R878 PolarHBondContact O-NE 3.35Å; E873-R878 PolarHBondContact O-NH2 3.33Å; E875-R878 WeakPolarHBondContact O-CB 3.37Å; E875-R878 PolarHBondContact O-N 2.91Å; E875-R878 IonicContact OE1-CZ 2.66Å; E875-R878 VanDerWaalsContact OE1-CZ 3.26Å; E875-R878 IonicContact OE1-NH1 2.67Å; E875-R878 PolarHBondContact OE1-NH1 2.98Å; E875-R878 IonicContact OE1-NH2 3.06Å; E875-R878 PolarHBondContact OE1-NH2 3.21Å; E875-R878 VanDerWaalsContact OE1-NH2 3.14Å; R878-M880 PolarHBondContact O-N 3.03Å; R878-Y898 VanDerWaalsContact CZ-OH 3.29Å; R878-Y898 PolarHBondContact NE-OH 3.19Å; R878-Y932 HydrophobicContact CB-CD1 3.99Å; R878-Y932 HydrophobicContact CB-CE1 3.77Å; R878-Y932 WeakPolarHBondContact O-CD1 3.38Å
879H92.8Very high91.3Very high119 Ų11971.4 Ų71.455%0.55138%0.382SS*.PPolyproline II helixtrans-64.3119.2176.1-59.189.2000110.1A876 N877 Y932 S933A876-H879 PolarHBondContact O-CE1 2.94Å; N877-H879 PolarHBondContact O-N 2.71Å; N877-H879 PolarHBondContact O-ND1 3Å; N877-H879 VanDerWaalsContact O-ND1 3.09Å; H879-Y932 CarbonylContact O-C 3.59Å; H879-Y932 VanDerWaalsContact O-CA 3.22Å; H879-Y932 WeakPolarHBondContact O-CA 3.31Å; H879-Y932 WeakPolarHBondContact O-CB 3.17Å; H879-S933 PolarHBondContact O-N 3.38Å
880M91.9Very high91.3Very high113 Ų11370.9 Ų70.956%0.55738%0.38SS*.BIsolated β-bridgetrans-60.6143.3173.7-83.9175.245.600111.1R878R878-M880 PolarHBondContact O-N 3.03Å
881H90Very high91.5Very high7 Ų763.5 Ų63.53%0.03235%0.352CS..PPolyproline II helixtrans-69.7120.9177.6-159-67.7000110.4N883 P884 E888 L931H881-N883 PolarHBondContact CE1-O 2.69Å; H881-P884 HydrophobicContact CB-CG 4.38Å; H881-E888 IonicContact CE1-OE1 3.14Å; H881-E888 IonicContact CE1-OE2 2.65Å; H881-E888 PolarHBondContact CE1-OE2 3.24Å; H881-E888 VanDerWaalsContact NE2-CD 3.28Å; H881-E888 IonicContact NE2-OE1 3.69Å; H881-E888 IonicContact NE2-OE2 3.67Å; H881-E888 PolarHBondContact NE2-OE2 2.99Å; H881-L931 HydrophobicContact CB-CB 4.11Å; H881-L931 HydrophobicContact CB-CD2 3.86Å; H881-L931 HydrophobicContact CB-CG 4.06Å; H881-L931 PolarHBondContact N-O 3.01Å
882P83.7Confident91.4Very high113 Ų11361.4 Ų61.473%0.73434%0.342SS*.SBendtrans-75.3-34.8-167.627.6-34.8000113.6
883N87.4Confident91.3Very high116 Ų11664.8 Ų64.862%0.6236%0.357SS*.SBendtrans-15494.7177.1-177.529.1000109.7H881 V885H881-N883 PolarHBondContact CE1-O 2.69Å; N883-V885 PolarHBondContact O-N 2.67Å
884P88.2Confident91.1Very high13 Ų1362.2 Ų62.28%0.08435%0.345CS..  trans-67.7122.2-176-20.633.4000112.8H881 I903 V906 V912 T928 L931H881-P884 HydrophobicContact CB-CG 4.38Å; P884-I903 HydrophobicContact CB-CD1 3.81Å; P884-V906 VanDerWaalsContact O-CG2 3.3Å; P884-V906 WeakPolarHBondContact O-CG2 3.47Å; P884-V912 HydrophobicContact CB-CG1 3.93Å; P884-V912 HydrophobicContact CG-CG1 4.14Å; P884-T928 HydrophobicContact CG-CG2 3.67Å; P884-L931 HydrophobicContact CB-CD2 3.73Å; P884-L931 HydrophobicContact CG-CD2 3.69Å
885V88.8Confident90.5Very high73 Ų7363.3 Ų63.344%0.44235%0.35SS..  trans-111.3136.6178.6-175.70000110.8N883 G887 E888 I903N883-V885 PolarHBondContact O-N 2.67Å; V885-G887 PolarHBondContact O-N 2.8Å; V885-E888 WeakPolarHBondContact O-CB 3.41Å; V885-E888 PolarHBondContact O-N 3.11Å; V885-E888 VanDerWaalsContact O-N 3.11Å; V885-I903 WeakPolarHBondContact O-CB 3.46Å; V885-I903 WeakPolarHBondContact O-CD1 3.28Å
886P86.9Confident90.3Very high57 Ų5761.5 Ų61.537%0.3735%0.345SS..THydrogen-bonded Turntrans-55.2130.2173.2-26.436.5000112.4V906P886-V906 HydrophobicContact CG-CG2 4.39Å
887G85Confident90.1Very high47 Ų4759 Ų5949%0.48532%0.318SS..THydrogen-bonded Turntrans100.7-22.6-173.600000114.5V885 I903V885-G887 PolarHBondContact O-N 2.8Å; G887-I903 PolarHBondContact N-O 3.13Å
888E90.6Very high90.2Very high66 Ų6657.5 Ų57.531%0.30831%0.309SS..  trans-77.4150.6179.8178.3168.8-155.500112.7H881 V885 I903H881-E888 IonicContact CE1-OE1 3.14Å; H881-E888 IonicContact CE1-OE2 2.65Å; H881-E888 PolarHBondContact CE1-OE2 3.24Å; H881-E888 VanDerWaalsContact NE2-CD 3.28Å; H881-E888 IonicContact NE2-OE1 3.69Å; H881-E888 IonicContact NE2-OE2 3.67Å; H881-E888 PolarHBondContact NE2-OE2 2.99Å; V885-E888 WeakPolarHBondContact O-CB 3.41Å; V885-E888 PolarHBondContact O-N 3.11Å; V885-E888 VanDerWaalsContact O-N 3.11Å; E888-I903 HydrophobicContact CB-CD1 4.08Å; E888-I903 PolarHBondContact O-N 3.05Å
889M93.9Very high90.2Very high51 Ų5155 Ų5525%0.25130%0.3SS..EExtended strand (participates in β ladder)trans-94.4131.9173.6-78.7-173.8-75.700112.3V901 L917 C934 K939M889-V901 CarbonylContact C-O 3.44Å; M889-V901 VanDerWaalsContact CA-O 3.28Å; M889-V901 WeakPolarHBondContact CA-O 3.09Å; M889-L917 HydrophobicContact CG-CD1 4Å; M889-L917 HydrophobicContact SD-CD1 3.75Å; M889-C934 HydrophobicContact CB-CB 4.46Å; M889-C934 WeakPolarHBondContact O-CB 3.27Å; M889-K939 HydrophobicContact CB-CG 4.48Å; M889-K939 HydrophobicContact CE-CB 3.98Å; M889-K939 HydrophobicContact CE-CG 4.37Å; M889-K939 WeakPolarHBondContact CE-O 3.42Å
890A95.2Very high90.3Very high0 Ų049.3 Ų49.30%027%0.274CS..EExtended strand (participates in β ladder)trans-134.7-176.3-179.300000110.7V901 I903 L931 Y932A890-V901 HydrophobicContact CB-CG2 3.97Å; A890-V901 PolarHBondContact N-O 3.37Å; A890-V901 PolarHBondContact O-N 2.94Å; A890-I903 HydrophobicContact CB-CD1 4.36Å; A890-L931 HydrophobicContact CB-CD1 3.72Å; A890-L931 HydrophobicContact CB-CD2 3.85Å; A890-L931 HydrophobicContact CB-CG 3.66Å; A890-Y932 WeakPolarHBondContact CA-O 3.47Å; A890-Y932 WeakPolarHBondContact CB-O 3.39Å
891V96.2Very high90.5Very high0 Ų044 Ų440%025%0.247CC..EExtended strand (participates in β ladder)trans-131.1141.1176.6175.10000110.5Y872 Y898 E899 R900 Y932 C934Y872-V891 HydrophobicContact CD1-CG1 4.44Å; Y872-V891 HydrophobicContact CD2-CG1 3.99Å; Y872-V891 HydrophobicContact CD2-CG2 4.42Å; Y872-V891 HydrophobicContact CE1-CB 4.43Å; Y872-V891 HydrophobicContact CE2-CB 4.25Å; Y872-V891 HydrophobicContact CE2-CG1 4.12Å; Y872-V891 HydrophobicContact CE2-CG2 3.74Å; Y872-V891 HydrophobicContact CG-CG1 4.16Å; V891-Y898 HydrophobicContact CG1-CD1 4.24Å; V891-E899 WeakPolarHBondContact CA-O 3.41Å; V891-R900 HydrophobicContact CG2-CG 4.42Å; V891-Y932 PolarHBondContact N-O 2.88Å; V891-Y932 PolarHBondContact O-N 3.41Å; V891-C934 HydrophobicContact CG2-CB 4.3Å
892V95Very high90.6Very high0 Ų045.3 Ų45.30%025%0.254CS..EExtended strand (participates in β ladder)trans-122.6158.1174.1-61.90000111.5N894 Y898 E899 V901 V914 L916 Y926 L931V892-N894 HydrophobicContact CG2-CB 4.3Å; V892-Y898 WeakPolarHBondContact O-CA 3.27Å; V892-E899 PolarHBondContact N-O 2.92Å; V892-E899 PolarHBondContact O-N 3.27Å; V892-V901 HydrophobicContact CB-CG1 4.43Å; V892-V901 HydrophobicContact CG1-CG1 4.13Å; V892-V901 HydrophobicContact CG1-CG2 4.17Å; V892-V901 HydrophobicContact CG2-CG1 3.62Å; V892-V914 HydrophobicContact CG1-CG2 4.37Å; V892-L916 HydrophobicContact CG2-CD2 4.38Å; V892-Y926 HydrophobicContact CB-CD1 4.49Å; V892-Y926 HydrophobicContact CB-CE1 4.17Å; V892-Y926 HydrophobicContact CB-CE2 4.36Å; V892-Y926 HydrophobicContact CG1-CD1 4.35Å; V892-Y926 HydrophobicContact CG1-CD2 4.12Å; V892-Y926 HydrophobicContact CG1-CE1 4.46Å; V892-Y926 HydrophobicContact CG1-CE2 4.2Å; V892-Y926 HydrophobicContact CG1-CG 4.19Å; V892-Y926 HydrophobicContact CG2-CE1 4.41Å; V892-Y926 HydrophobicContact CG2-CE2 4.06Å; V892-L931 HydrophobicContact CG1-CD1 3.66Å
893K93.3Very high91Very high71 Ų7140 Ų4031%0.30922%0.219SC..EExtended strand (participates in β ladder)trans-94.5103.2165.9-161171.8-159.5152.30110.5E873 R897 Y898E873-K893 IonicContact OE1-NZ 3.49Å; E873-K893 PolarHBondContact OE1-NZ 3.33Å; K893-R897 CarbonylContact C-O 3.55Å; K893-R897 VanDerWaalsContact CA-O 3.27Å; K893-R897 WeakPolarHBondContact CA-O 3.39Å; K893-Y898 HydrophobicContact CB-CD1 4.13Å; K893-Y898 HydrophobicContact CB-CE1 3.84Å; K893-Y898 HydrophobicContact CD-CE1 3.95Å; K893-Y898 HydrophobicContact CD-CE2 4.07Å; K893-Y898 WeakPolarHBondContact CD-OH 3.45Å; K893-Y898 WeakPolarHBondContact CE-OH 3.48Å; K893-Y898 HydrophobicContact CG-CD1 4.3Å; K893-Y898 HydrophobicContact CG-CE1 3.95Å; K893-Y898 HydrophobicContact CG-CE2 4.38Å; K893-Y898 PolarHBondContact NZ-OH 3.12Å
894N88Confident91.1Very high22 Ų2237.3 Ų37.312%0.11821%0.207CC..EExtended strand (participates in β ladder)trans-113.1115.8-177.4-174.415000110.9V892 N896 R897 E899 Y926V892-N894 HydrophobicContact CG2-CB 4.3Å; N894-N896 VanDerWaalsContact C-N 3.3Å; N894-N896 PolarHBondContact O-N 3.49Å; N894-R897 PolarHBondContact N-O 2.86Å; N894-R897 WeakPolarHBondContact O-CB 3.3Å; N894-R897 PolarHBondContact O-N 3.03Å; N894-E899 HydrophobicContact CB-CG 4.39Å; N894-E899 VanDerWaalsContact CB-OE2 3.28Å; N894-E899 WeakPolarHBondContact CB-OE2 3.47Å; N894-E899 PolarHBondContact ND2-OE2 2.74Å; N894-Y926 WeakPolarHBondContact CB-OH 3.49Å; N894-Y926 PolarHBondContact OD1-OH 2.97Å
895I83.4Confident90.9Very high132 Ų13238.6 Ų38.668%0.67722%0.216SC*.THydrogen-bonded Turntrans43.955-178.4-47.8170.4000111.4R897I895-R897 PolarHBondContact O-N 3.45Å; I895-R897 VanDerWaalsContact O-N 3.11Å
896N86.2Confident90.7Very high107 Ų10738.2 Ų38.257%0.57221%0.214SC*.THydrogen-bonded Turntrans62.44.6-177.2-59.2-28.6000117L857 Q869 N894L857-N896 HydrophobicContact CD1-CB 4.01Å; Q869-N896 PolarHBondContact NE2-O 3.12Å; N894-N896 VanDerWaalsContact C-N 3.3Å; N894-N896 PolarHBondContact O-N 3.49Å
897R90.4Very high90.1Very high33 Ų3340.6 Ų40.613%0.12522%0.22CC..EExtended strand (participates in β ladder)trans-95.8151.1168.5-59.8-166.5-60.4-96.3-0.8111.6F856 K893 N894 I895 E899F856-R897 HydrophobicContact CD1-CG 3.98Å; F856-R897 HydrophobicContact CE1-CG 4.07Å; K893-R897 CarbonylContact C-O 3.55Å; K893-R897 VanDerWaalsContact CA-O 3.27Å; K893-R897 WeakPolarHBondContact CA-O 3.39Å; N894-R897 PolarHBondContact N-O 2.86Å; N894-R897 WeakPolarHBondContact O-CB 3.3Å; N894-R897 PolarHBondContact O-N 3.03Å; I895-R897 PolarHBondContact O-N 3.45Å; I895-R897 VanDerWaalsContact O-N 3.11Å; R897-E899 HydrophobicContact CB-CG 3.99Å; R897-E899 IonicContact CZ-OE1 2.72Å; R897-E899 IonicContact NE-OE1 3.86Å; R897-E899 PolarHBondContact NE-OE1 3.33Å; R897-E899 IonicContact NH2-OE1 3.27Å; R897-E899 PolarHBondContact NH2-OE1 3.3Å
898Y94Very high89.4Confident8 Ų841 Ų413%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-96.5123164-69.2-82.7000109.5Y872 E873 R878 V891 V892 K893 Y932Y872-Y898 VanDerWaalsContact CB-CD1 3.44Å; Y872-Y898 VanDerWaalsContact CB-CG 3.44Å; Y872-Y898 HydrophobicContact CG-CD1 4.28Å; Y872-Y898 HydrophobicContact CG-CG 4.46Å; Y872-Y898 WeakPolarHBondContact O-CE2 3.4Å; Y872-Y898 VanDerWaalsContact O-CZ 3.24Å; Y872-Y898 PolarHBondContact O-OH 3.03Å; E873-Y898 HydrophobicContact CB-CE2 4.48Å; R878-Y898 VanDerWaalsContact CZ-OH 3.29Å; R878-Y898 PolarHBondContact NE-OH 3.19Å; V891-Y898 HydrophobicContact CG1-CD1 4.24Å; V892-Y898 WeakPolarHBondContact O-CA 3.27Å; K893-Y898 HydrophobicContact CB-CD1 4.13Å; K893-Y898 HydrophobicContact CB-CE1 3.84Å; K893-Y898 HydrophobicContact CD-CE1 3.95Å; K893-Y898 HydrophobicContact CD-CE2 4.07Å; K893-Y898 WeakPolarHBondContact CD-OH 3.45Å; K893-Y898 WeakPolarHBondContact CE-OH 3.48Å; K893-Y898 HydrophobicContact CG-CD1 4.3Å; K893-Y898 HydrophobicContact CG-CE1 3.95Å; K893-Y898 HydrophobicContact CG-CE2 4.38Å; K893-Y898 PolarHBondContact NZ-OH 3.12Å; Y898-Y932 HydrophobicContact CD1-CD2 4.48Å; Y898-Y932 HydrophobicContact CD1-CE2 4.35Å; Y898-Y932 HydrophobicContact CE1-CD2 4.32Å; Y898-Y932 AromaticContact CE1-CE2 3.82Å; Y898-Y932 HydrophobicContact CE1-CE2 3.82Å
899E93.6Very high88.1Confident6 Ų646 Ų463%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-128.7135.7-170.8-57.9-172143.300110.5V891 V892 N894 R897 L916 T919V891-E899 WeakPolarHBondContact CA-O 3.41Å; V892-E899 PolarHBondContact N-O 2.92Å; V892-E899 PolarHBondContact O-N 3.27Å; N894-E899 HydrophobicContact CB-CG 4.39Å; N894-E899 VanDerWaalsContact CB-OE2 3.28Å; N894-E899 WeakPolarHBondContact CB-OE2 3.47Å; N894-E899 PolarHBondContact ND2-OE2 2.74Å; R897-E899 HydrophobicContact CB-CG 3.99Å; R897-E899 IonicContact CZ-OE1 2.72Å; R897-E899 IonicContact NE-OE1 3.86Å; R897-E899 PolarHBondContact NE-OE1 3.33Å; R897-E899 IonicContact NH2-OE1 3.27Å; R897-E899 PolarHBondContact NH2-OE1 3.3Å; E899-L916 WeakPolarHBondContact OE2-CD1 3.18Å; E899-T919 HydrophobicContact CG-CG2 4.34Å; E899-T919 VanDerWaalsContact OE1-CB 3.27Å; E899-T919 WeakPolarHBondContact OE1-CB 3.28Å; E899-T919 WeakPolarHBondContact OE1-CG2 3.36Å; E899-T919 PolarHBondContact OE1-OG1 2.86Å; E899-T919 PolarHBondContact OE2-OG1 3.34Å
900R95.7Very high87.4Confident1 Ų147 Ų470%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-72.5139173.8-56.7-173.8-56.1151.44.2110V868 V891 L917 D918 F938 S941 P942V868-R900 HydrophobicContact CG1-CG 4.42Å; V868-R900 HydrophobicContact CG2-CG 4.13Å; V891-R900 HydrophobicContact CG2-CG 4.42Å; R900-L917 HydrophobicContact CB-CB 4.42Å; R900-L917 HydrophobicContact CB-CD1 4.18Å; R900-L917 PolarHBondContact O-N 3.39Å; R900-L917 VanDerWaalsContact O-N 3.09Å; R900-D918 IonicContact CZ-OD1 3.82Å; R900-D918 IonicContact CZ-OD2 3.59Å; R900-D918 IonicContact NE-OD1 3.74Å; R900-D918 IonicContact NE-OD2 3.69Å; R900-D918 PolarHBondContact NE-OD2 2.85Å; R900-D918 IonicContact NH2-OD1 3.31Å; R900-D918 PolarHBondContact NH2-OD1 2.77Å; R900-D918 IonicContact NH2-OD2 2.72Å; R900-D918 PolarHBondContact NH2-OD2 2.88Å; R900-F938 WeakPolarHBondContact CD-O 3.22Å; R900-F938 PolarHBondContact NH1-O 3.47Å; R900-S941 PolarHBondContact NH1-O 2.92Å; R900-P942 PolarHBondContact NH2-O 3.24Å
901V95.1Very high87.2Confident0 Ų049.4 Ų49.40%027%0.268CS..EExtended strand (participates in β ladder)trans-134.7154.2-178.3-49.70000111.1M889 A890 V892 V914 Q915 L916 L931M889-V901 CarbonylContact C-O 3.44Å; M889-V901 VanDerWaalsContact CA-O 3.28Å; M889-V901 WeakPolarHBondContact CA-O 3.09Å; A890-V901 HydrophobicContact CB-CG2 3.97Å; A890-V901 PolarHBondContact N-O 3.37Å; A890-V901 PolarHBondContact O-N 2.94Å; V892-V901 HydrophobicContact CB-CG1 4.43Å; V892-V901 HydrophobicContact CG1-CG1 4.13Å; V892-V901 HydrophobicContact CG1-CG2 4.17Å; V892-V901 HydrophobicContact CG2-CG1 3.62Å; V901-V914 HydrophobicContact CB-CB 3.85Å; V901-V914 HydrophobicContact CB-CG2 3.82Å; V901-V914 HydrophobicContact CG1-CG2 3.94Å; V901-V914 HydrophobicContact CG2-CB 3.73Å; V901-V914 HydrophobicContact CG2-CG1 4.08Å; V901-V914 HydrophobicContact CG2-CG2 3.86Å; V901-Q915 CarbonylContact C-O 3.58Å; V901-Q915 WeakPolarHBondContact CA-O 3.35Å; V901-Q915 WeakPolarHBondContact CB-O 3.5Å; V901-L916 HydrophobicContact CG1-CD2 3.52Å; V901-L931 HydrophobicContact CG2-CD1 4Å
902H92.8Very high86.9Confident36 Ų3649.4 Ų49.417%0.16727%0.268CS..EExtended strand (participates in β ladder)trans-110.8124.9170.7173.3-57.7000108.4V904 V914 Q915 L917H902-V904 PolarHBondContact O-N 3.48Å; H902-V914 WeakPolarHBondContact O-CA 3.24Å; H902-Q915 PolarHBondContact N-O 2.86Å; H902-Q915 PolarHBondContact O-N 2.94Å; H902-L917 HydrophobicContact CB-CD1 4.32Å; H902-L917 HydrophobicContact CB-CD2 3.97Å; H902-L917 HydrophobicContact CB-CG 4.38Å
903I91.9Very high86.8Confident0 Ų051.2 Ų51.20%028%0.277CS..EExtended strand (participates in β ladder)trans-69.1124.2179.4-59154.4000108.4P884 V885 G887 E888 A890 V914 L931P884-I903 HydrophobicContact CB-CD1 3.81Å; V885-I903 WeakPolarHBondContact O-CB 3.46Å; V885-I903 WeakPolarHBondContact O-CD1 3.28Å; G887-I903 PolarHBondContact N-O 3.13Å; E888-I903 HydrophobicContact CB-CD1 4.08Å; E888-I903 PolarHBondContact O-N 3.05Å; A890-I903 HydrophobicContact CB-CD1 4.36Å; I903-V914 HydrophobicContact CG1-CG1 4.23Å; I903-L931 HydrophobicContact CD1-CD2 4Å; I903-L931 HydrophobicContact CG1-CD2 4.2Å
904V88.1Confident86.8Confident61 Ų6147.8 Ų47.837%0.3726%0.262SS..EExtended strand (participates in β ladder)trans-95.6-45.6-177.2-179.60000110.3H902 L913 Q915H902-V904 PolarHBondContact O-N 3.48Å; V904-L913 HydrophobicContact CB-CD2 4.29Å; V904-L913 HydrophobicContact CB-CG 4.31Å; V904-L913 WeakPolarHBondContact CB-O 3.41Å; V904-L913 HydrophobicContact CG1-CD2 4.17Å; V904-L913 PolarHBondContact N-O 2.92Å; V904-Q915 HydrophobicContact CG2-CB 3.74Å
905S85.1Confident87Confident40 Ų4048.3 Ų48.328%0.2826%0.264SS..EExtended strand (participates in β ladder)trans-158.3152.2177.446.60000110.8L913S905-L913 PolarHBondContact N-O 3.12Å; S905-L913 PolarHBondContact O-N 2.88Å; S905-L913 WeakPolarHBondContact OG-CB 3.26Å
906V84.6Confident87.5Confident65 Ų6542.1 Ų42.139%0.39423%0.233SC..EExtended strand (participates in β ladder)trans-95.3118.3165.6-1760000106.1P884 P886 S908 V912P884-V906 VanDerWaalsContact O-CG2 3.3Å; P884-V906 WeakPolarHBondContact O-CG2 3.47Å; P886-V906 HydrophobicContact CG-CG2 4.39Å; V906-S908 WeakPolarHBondContact CG1-O 3.21Å; V906-V912 HydrophobicContact CG1-CG1 4.36Å; V906-V912 HydrophobicContact CG2-CG1 4.26Å
907E73.1Confident87.8Confident107 Ų10737.3 Ų37.350%0.521%0.207SC..EExtended strand (participates in β ladder)trans-92.3-25.8-172.4-61.1180139.800111.4M911 L913 S925E907-M911 PolarHBondContact N-O 3.09Å; E907-L913 HydrophobicContact CG-CB 4.16Å; E907-S925 WeakPolarHBondContact OE2-CB 3.46Å; E907-S925 PolarHBondContact OE2-OG 2.91Å
908S71Confident87.9Confident54 Ų5436.3 Ų36.338%0.37820%0.204SC..EExtended strand (participates in β ladder)trans-163174.1169.869.10000109.7V906 S910 M911V906-S908 WeakPolarHBondContact CG1-O 3.21Å; S908-S910 PolarHBondContact O-N 2.83Å; S908-S910 PolarHBondContact OG-N 3.29Å; S908-M911 PolarHBondContact N-O 2.91Å; S908-M911 PolarHBondContact O-N 2.72Å; S908-M911 PolarHBondContact OG-N 3.12Å
909N62.8Low87.7Confident171 Ų17136.6 Ų36.691%0.91421%0.207SC*.THydrogen-bonded Turntrans-56.8-11.3177.6-68.5-2.3000115
910S80.9Confident87.5Confident73 Ų7336.5 Ų36.551%0.5121%0.207SC..THydrogen-bonded Turntrans-122.4-8.7179.265.70000115.5S908 K927 T928S908-S910 PolarHBondContact O-N 2.83Å; S908-S910 PolarHBondContact OG-N 3.29Å; S910-K927 CarbonylContact O-C 3.51Å; S910-K927 VanDerWaalsContact O-CA 3.25Å; S910-K927 WeakPolarHBondContact O-CA 3.49Å; S910-T928 PolarHBondContact O-N 3.49Å; S910-T928 PolarHBondContact O-OG1 2.76Å
911M89.8Confident87.3Confident51 Ų5137.7 Ų37.725%0.25121%0.214SC..EExtended strand (participates in β ladder)trans-128.5132.6-174.3-65.5-60.9-56.700112.6E907 S908 S925 Y926 K927E907-M911 PolarHBondContact N-O 3.09Å; S908-M911 PolarHBondContact N-O 2.91Å; S908-M911 PolarHBondContact O-N 2.72Å; S908-M911 PolarHBondContact OG-N 3.12Å; M911-S925 WeakPolarHBondContact CE-OG 3.37Å; M911-Y926 WeakPolarHBondContact CA-O 3.1Å; M911-Y926 WeakPolarHBondContact CE-O 3.2Å; M911-K927 HydrophobicContact SD-CB 4.39Å; M911-K927 HydrophobicContact SD-CG 3.62Å
912V90.6Very high87Confident0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-125.9129.7-178.4-69.20000111P884 V906 V914 S925 Y926 L931P884-V912 HydrophobicContact CB-CG1 3.93Å; P884-V912 HydrophobicContact CG-CG1 4.14Å; V906-V912 HydrophobicContact CG1-CG1 4.36Å; V906-V912 HydrophobicContact CG2-CG1 4.26Å; V912-V914 HydrophobicContact CB-CG1 4.35Å; V912-V914 HydrophobicContact CG2-CG1 4.13Å; V912-S925 WeakPolarHBondContact O-CA 3.4Å; V912-Y926 WeakPolarHBondContact CG2-O 3.42Å; V912-Y926 PolarHBondContact N-O 2.91Å; V912-Y926 PolarHBondContact O-N 3.43Å; V912-L931 HydrophobicContact CG2-CD2 4.35Å
913L91.9Very high86.8Confident37 Ų3742.7 Ų42.719%0.19424%0.243CC..EExtended strand (participates in β ladder)trans-87.9121.5172.3-173.668.8000109V904 S905 E907 C923V904-L913 HydrophobicContact CB-CD2 4.29Å; V904-L913 HydrophobicContact CB-CG 4.31Å; V904-L913 WeakPolarHBondContact CB-O 3.41Å; V904-L913 HydrophobicContact CG1-CD2 4.17Å; V904-L913 PolarHBondContact N-O 2.92Å; S905-L913 PolarHBondContact N-O 3.12Å; S905-L913 PolarHBondContact O-N 2.88Å; S905-L913 WeakPolarHBondContact OG-CB 3.26Å; E907-L913 HydrophobicContact CG-CB 4.16Å; L913-C923 HydrophobicContact CD1-CB 3.91Å; L913-C923 HydrophobicContact CG-CB 4.15Å
914V92.9Very high86.7Confident0 Ų046.1 Ų46.10%026%0.258CS..EExtended strand (participates in β ladder)trans-128.3138.2-176.7-49.40000111.3V892 V901 H902 I903 V912 C923 F924 Y926 L931V892-V914 HydrophobicContact CG1-CG2 4.37Å; V901-V914 HydrophobicContact CB-CB 3.85Å; V901-V914 HydrophobicContact CB-CG2 3.82Å; V901-V914 HydrophobicContact CG1-CG2 3.94Å; V901-V914 HydrophobicContact CG2-CB 3.73Å; V901-V914 HydrophobicContact CG2-CG1 4.08Å; V901-V914 HydrophobicContact CG2-CG2 3.86Å; H902-V914 WeakPolarHBondContact O-CA 3.24Å; I903-V914 HydrophobicContact CG1-CG1 4.23Å; V912-V914 HydrophobicContact CB-CG1 4.35Å; V912-V914 HydrophobicContact CG2-CG1 4.13Å; V914-C923 CarbonylContact O-C 3.57Å; V914-C923 VanDerWaalsContact O-CA 3.25Å; V914-C923 WeakPolarHBondContact O-CA 3.47Å; V914-F924 PolarHBondContact N-O 2.9Å; V914-F924 PolarHBondContact O-N 3.13Å; V914-Y926 HydrophobicContact CG2-CD2 3.7Å; V914-Y926 HydrophobicContact CG2-CE2 4.06Å; V914-L931 HydrophobicContact CG1-CD1 4.05Å
915Q93.3Very high86.9Confident32 Ų3245.9 Ų45.915%0.1526%0.259CS..EExtended strand (participates in β ladder)trans-92.1129.3174.3175.9167.563.900109.5V901 H902 V904 T921 E922V901-Q915 CarbonylContact C-O 3.58Å; V901-Q915 WeakPolarHBondContact CA-O 3.35Å; V901-Q915 WeakPolarHBondContact CB-O 3.5Å; H902-Q915 PolarHBondContact N-O 2.86Å; H902-Q915 PolarHBondContact O-N 2.94Å; V904-Q915 HydrophobicContact CG2-CB 3.74Å; Q915-T921 PolarHBondContact NE2-O 2.8Å; Q915-E922 WeakPolarHBondContact CA-O 3.35Å
916L93.6Very high87.2Confident3 Ų345.2 Ų45.22%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-68147.9172.2-57.3-171.8000110.6V892 E899 V901 S920 E922 F924V892-L916 HydrophobicContact CG2-CD2 4.38Å; E899-L916 WeakPolarHBondContact OE2-CD1 3.18Å; V901-L916 HydrophobicContact CG1-CD2 3.52Å; L916-S920 CarbonylContact C-O 3.59Å; L916-S920 VanDerWaalsContact C-O 3.27Å; L916-S920 WeakPolarHBondContact CB-O 3.29Å; L916-E922 PolarHBondContact N-O 2.8Å; L916-F924 HydrophobicContact CD1-CD2 3.95Å; L916-F924 HydrophobicContact CD1-CE2 3.5Å; L916-F924 HydrophobicContact CD1-CZ 4.41Å; L916-F924 HydrophobicContact CD2-CD2 4.31Å; L916-F924 HydrophobicContact CG-CD2 3.82Å; L916-F924 HydrophobicContact CG-CE2 3.79Å
917L93.6Very high87.6Confident5 Ų547.7 Ų47.73%0.02626%0.256CS..SBendtrans-110.6-27-175.5-64.9177.1000114.9M889 R900 H902 R943 E944 A945M889-L917 HydrophobicContact CG-CD1 4Å; M889-L917 HydrophobicContact SD-CD1 3.75Å; R900-L917 HydrophobicContact CB-CB 4.42Å; R900-L917 HydrophobicContact CB-CD1 4.18Å; R900-L917 PolarHBondContact O-N 3.39Å; R900-L917 VanDerWaalsContact O-N 3.09Å; H902-L917 HydrophobicContact CB-CD1 4.32Å; H902-L917 HydrophobicContact CB-CD2 3.97Å; H902-L917 HydrophobicContact CB-CG 4.38Å; L917-R943 HydrophobicContact CB-CB 4.22Å; L917-R943 HydrophobicContact CD2-CB 4.3Å; L917-E944 PolarHBondContact O-N 3.28Å; L917-A945 WeakPolarHBondContact O-CB 3.45Å; L917-A945 PolarHBondContact O-N 3.31Å
918D92.1Very high88.3Confident12 Ų1244 Ų446%0.06424%0.242CC..SBendtrans-122.6-18.6-167-58-43.1000114.9R900 E944R900-D918 IonicContact CZ-OD1 3.82Å; R900-D918 IonicContact CZ-OD2 3.59Å; R900-D918 IonicContact NE-OD1 3.74Å; R900-D918 IonicContact NE-OD2 3.69Å; R900-D918 PolarHBondContact NE-OD2 2.85Å; R900-D918 IonicContact NH2-OD1 3.31Å; R900-D918 PolarHBondContact NH2-OD1 2.77Å; R900-D918 IonicContact NH2-OD2 2.72Å; R900-D918 PolarHBondContact NH2-OD2 2.88Å; D918-E944 HydrophobicContact CB-CB 4.24Å; D918-E944 PolarHBondContact OD1-N 2.77Å; D918-E944 VanDerWaalsContact OD1-N 3.12Å
919T88.4Confident89.2Confident15 Ų1544.8 Ų44.89%0.09225%0.246CC..SBendtrans-124.8-16-171.963.20000114.2V835 F859 E899V835-T919 WeakPolarHBondContact CG2-O 3.31Å; F859-T919 HydrophobicContact CD1-CG2 4.48Å; F859-T919 HydrophobicContact CE1-CG2 3.53Å; F859-T919 HydrophobicContact CZ-CG2 3.76Å; E899-T919 HydrophobicContact CG-CG2 4.34Å; E899-T919 VanDerWaalsContact OE1-CB 3.27Å; E899-T919 WeakPolarHBondContact OE1-CB 3.28Å; E899-T919 WeakPolarHBondContact OE1-CG2 3.36Å; E899-T919 PolarHBondContact OE1-OG1 2.86Å; E899-T919 PolarHBondContact OE2-OG1 3.34Å
920S90.9Very high90.5Very high4 Ų440.9 Ų40.93%0.02822%0.223CC..  trans-161164.9175.9-167.90000107.1Y837 L916 E922Y837-S920 PolarHBondContact OH-OG 2.68Å; L916-S920 CarbonylContact C-O 3.59Å; L916-S920 VanDerWaalsContact C-O 3.27Å; L916-S920 WeakPolarHBondContact CB-O 3.29Å; S920-E922 PolarHBondContact OG-N 3.2Å; S920-E922 PolarHBondContact OG-OE2 3.34Å
921T90.6Very high91.2Very high25 Ų2537.4 Ų37.415%0.15320%0.198CC..SBendtrans-106.36.9166.758.60000112.6Y837 A843 Q915 A945 D947Y837-T921 PolarHBondContact OH-N 3.35Å; Y837-T921 PolarHBondContact OH-OG1 2.73Å; A843-T921 HydrophobicContact CB-CG2 4.33Å; Q915-T921 PolarHBondContact NE2-O 2.8Å; T921-A945 HydrophobicContact CG2-CB 4.02Å; T921-D947 HydrophobicContact CG2-CB 4.44Å
922E89.1Confident91.4Very high82 Ų8236.9 Ų36.938%0.38319%0.194SC..  trans-70.1156.4177-77163.6140.700113.2Y837 Q915 L916 S920 F924Y837-E922 HydrophobicContact CD1-CG 4.1Å; Y837-E922 HydrophobicContact CE1-CG 3.46Å; Y837-E922 VanDerWaalsContact CE1-CG 3.46Å; Y837-E922 WeakPolarHBondContact CE1-OE1 3.35Å; Y837-E922 WeakPolarHBondContact CE1-OE2 3.47Å; Q915-E922 WeakPolarHBondContact CA-O 3.35Å; L916-E922 PolarHBondContact N-O 2.8Å; S920-E922 PolarHBondContact OG-N 3.2Å; S920-E922 PolarHBondContact OG-OE2 3.34Å; E922-F924 HydrophobicContact CB-CD2 4.34Å; E922-F924 HydrophobicContact CB-CE2 3.51Å; E922-F924 HydrophobicContact CB-CZ 3.82Å
923C89.6Confident91.6Very high60 Ų6038.6 Ų38.641%0.40521%0.206SC..EExtended strand (participates in β ladder)trans-101.1141.2171-56.20000110.9L913 V914L913-C923 HydrophobicContact CD1-CB 3.91Å; L913-C923 HydrophobicContact CG-CB 4.15Å; V914-C923 CarbonylContact O-C 3.57Å; V914-C923 VanDerWaalsContact O-CA 3.25Å; V914-C923 WeakPolarHBondContact O-CA 3.47Å
924F89.8Confident91.7Very high71 Ų7137.1 Ų37.131%0.31120%0.199SC..EExtended strand (participates in β ladder)trans-134.2141.7178.6-62.3-91.1000109.6V914 L916 E922 Y926V914-F924 PolarHBondContact N-O 2.9Å; V914-F924 PolarHBondContact O-N 3.13Å; L916-F924 HydrophobicContact CD1-CD2 3.95Å; L916-F924 HydrophobicContact CD1-CE2 3.5Å; L916-F924 HydrophobicContact CD1-CZ 4.41Å; L916-F924 HydrophobicContact CD2-CD2 4.31Å; L916-F924 HydrophobicContact CG-CD2 3.82Å; L916-F924 HydrophobicContact CG-CE2 3.79Å; E922-F924 HydrophobicContact CB-CD2 4.34Å; E922-F924 HydrophobicContact CB-CE2 3.51Å; E922-F924 HydrophobicContact CB-CZ 3.82Å; F924-Y926 HydrophobicContact CB-CD2 4.03Å; F924-Y926 HydrophobicContact CB-CE2 3.6Å; F924-Y926 HydrophobicContact CG-CE2 4.45Å
925S91.7Very high91.6Very high57 Ų5739.1 Ų39.140%0.39921%0.211SC..EExtended strand (participates in β ladder)trans-91.7123.6174.7-166.70000109.6E907 M911 V912E907-S925 WeakPolarHBondContact OE2-CB 3.46Å; E907-S925 PolarHBondContact OE2-OG 2.91Å; M911-S925 WeakPolarHBondContact CE-OG 3.37Å; V912-S925 WeakPolarHBondContact O-CA 3.4Å
926Y91.7Very high91.4Very high26 Ų2643 Ų4310%0.10223%0.229CC..EExtended strand (participates in β ladder)trans-122158.4-179.3-79.9-90.6000110.3V892 N894 M911 V912 V914 F924 Q930V892-Y926 HydrophobicContact CB-CD1 4.49Å; V892-Y926 HydrophobicContact CB-CE1 4.17Å; V892-Y926 HydrophobicContact CB-CE2 4.36Å; V892-Y926 HydrophobicContact CG1-CD1 4.35Å; V892-Y926 HydrophobicContact CG1-CD2 4.12Å; V892-Y926 HydrophobicContact CG1-CE1 4.46Å; V892-Y926 HydrophobicContact CG1-CE2 4.2Å; V892-Y926 HydrophobicContact CG1-CG 4.19Å; V892-Y926 HydrophobicContact CG2-CE1 4.41Å; V892-Y926 HydrophobicContact CG2-CE2 4.06Å; N894-Y926 WeakPolarHBondContact CB-OH 3.49Å; N894-Y926 PolarHBondContact OD1-OH 2.97Å; M911-Y926 WeakPolarHBondContact CA-O 3.1Å; M911-Y926 WeakPolarHBondContact CE-O 3.2Å; V912-Y926 WeakPolarHBondContact CG2-O 3.42Å; V912-Y926 PolarHBondContact N-O 2.91Å; V912-Y926 PolarHBondContact O-N 3.43Å; V914-Y926 HydrophobicContact CG2-CD2 3.7Å; V914-Y926 HydrophobicContact CG2-CE2 4.06Å; F924-Y926 HydrophobicContact CB-CD2 4.03Å; F924-Y926 HydrophobicContact CB-CE2 3.6Å; F924-Y926 HydrophobicContact CG-CE2 4.45Å; Y926-Q930 HydrophobicContact CD1-CB 4.23Å
927K91.4Very high91.1Very high116 Ų11647.6 Ų47.650%0.50425%0.253SS..EExtended strand (participates in β ladder)trans-71.6145.9168.5-66.5-177.8176.8-1730110.4S910 M911 S929 Q930S910-K927 CarbonylContact O-C 3.51Å; S910-K927 VanDerWaalsContact O-CA 3.25Å; S910-K927 WeakPolarHBondContact O-CA 3.49Å; M911-K927 HydrophobicContact SD-CB 4.39Å; M911-K927 HydrophobicContact SD-CG 3.62Å; K927-S929 PolarHBondContact O-N 2.92Å; K927-S929 VanDerWaalsContact O-N 3.13Å; K927-Q930 HydrophobicContact CB-CG 4.11Å; K927-Q930 WeakPolarHBondContact O-CB 3.47Å; K927-Q930 PolarHBondContact O-N 3.11Å
928T89Confident91.1Very high31 Ų3147.6 Ų47.619%0.1925%0.252CS..G310 helixtrans-53.3-35.1173.6-53.60000112.3P884 S910 Q930 L931P884-T928 HydrophobicContact CG-CG2 3.67Å; S910-T928 PolarHBondContact O-N 3.49Å; S910-T928 PolarHBondContact O-OG1 2.76Å; T928-Q930 PolarHBondContact O-N 2.85Å; T928-L931 WeakPolarHBondContact O-CB 3.46Å; T928-L931 PolarHBondContact O-N 3.47Å
929S89.3Confident90.9Very high69 Ų6949.3 Ų49.348%0.48326%0.259SS..G310 helixtrans-73.9-4.4176.156.30000115.7K927K927-S929 PolarHBondContact O-N 2.92Å; K927-S929 VanDerWaalsContact O-N 3.13Å
930Q91.3Very high90.8Very high89 Ų8955.3 Ų55.342%0.41629%0.291SS..G310 helixtrans-101.10.3173.1-62.8171.6-48.700112.2Y926 K927 T928Y926-Q930 HydrophobicContact CD1-CB 4.23Å; K927-Q930 HydrophobicContact CB-CG 4.11Å; K927-Q930 WeakPolarHBondContact O-CB 3.47Å; K927-Q930 PolarHBondContact O-N 3.11Å; T928-Q930 PolarHBondContact O-N 2.85Å
931L94Very high90.8Very high0 Ų056.4 Ų56.40%030%0.298CS..EExtended strand (participates in β ladder)trans-98.7127.4-179-157.774.7000110H881 P884 A890 V892 V901 I903 V912 V914 T928H881-L931 HydrophobicContact CB-CB 4.11Å; H881-L931 HydrophobicContact CB-CD2 3.86Å; H881-L931 HydrophobicContact CB-CG 4.06Å; H881-L931 PolarHBondContact N-O 3.01Å; P884-L931 HydrophobicContact CB-CD2 3.73Å; P884-L931 HydrophobicContact CG-CD2 3.69Å; A890-L931 HydrophobicContact CB-CD1 3.72Å; A890-L931 HydrophobicContact CB-CD2 3.85Å; A890-L931 HydrophobicContact CB-CG 3.66Å; V892-L931 HydrophobicContact CG1-CD1 3.66Å; V901-L931 HydrophobicContact CG2-CD1 4Å; I903-L931 HydrophobicContact CD1-CD2 4Å; I903-L931 HydrophobicContact CG1-CD2 4.2Å; V912-L931 HydrophobicContact CG2-CD2 4.35Å; V914-L931 HydrophobicContact CG1-CD1 4.05Å; T928-L931 WeakPolarHBondContact O-CB 3.46Å; T928-L931 PolarHBondContact O-N 3.47Å
932Y95.1Very high90.8Very high40 Ų4057.9 Ų57.916%0.15731%0.308CS..EExtended strand (participates in β ladder)trans-107.5146.7176.3-53.9-66.6000111.2R878 H879 A890 V891 Y898 C934R878-Y932 HydrophobicContact CB-CD1 3.99Å; R878-Y932 HydrophobicContact CB-CE1 3.77Å; R878-Y932 WeakPolarHBondContact O-CD1 3.38Å; H879-Y932 CarbonylContact O-C 3.59Å; H879-Y932 VanDerWaalsContact O-CA 3.22Å; H879-Y932 WeakPolarHBondContact O-CA 3.31Å; H879-Y932 WeakPolarHBondContact O-CB 3.17Å; A890-Y932 WeakPolarHBondContact CA-O 3.47Å; A890-Y932 WeakPolarHBondContact CB-O 3.39Å; V891-Y932 PolarHBondContact N-O 2.88Å; V891-Y932 PolarHBondContact O-N 3.41Å; Y898-Y932 HydrophobicContact CD1-CD2 4.48Å; Y898-Y932 HydrophobicContact CD1-CE2 4.35Å; Y898-Y932 HydrophobicContact CE1-CD2 4.32Å; Y898-Y932 AromaticContact CE1-CE2 3.82Å; Y898-Y932 HydrophobicContact CE1-CE2 3.82Å; Y932-C934 PolarHBondContact O-N 3.06Å
933S93.8Very high91Very high37 Ų3756.1 Ų56.126%0.25930%0.298SS..EExtended strand (participates in β ladder)trans-62.3126.4173.5-58.10000110.6Y872 H879Y872-S933 PolarHBondContact OH-O 3.46Å; H879-S933 PolarHBondContact O-N 3.38Å
934C94.1Very high91.2Very high6 Ų653.5 Ų53.54%0.04128%0.28CS..PPolyproline II helixtrans-72.7129171.1-165.50000109.1Y872 M889 V891 Y932 K939Y872-C934 WeakPolarHBondContact OH-CA 3.31Å; M889-C934 HydrophobicContact CB-CB 4.46Å; M889-C934 WeakPolarHBondContact O-CB 3.27Å; V891-C934 HydrophobicContact CG2-CB 4.3Å; Y932-C934 PolarHBondContact O-N 3.06Å; C934-K939 HydrophobicContact CB-CG 4.1Å; C934-K939 WeakPolarHBondContact O-CE 3.42Å
935V92.3Very high91.4Very high42 Ų4250.2 Ų50.226%0.25527%0.266SS..PPolyproline II helixtrans-79.3144.7173.8-68.90000110.9Y872 I937 F938 K939Y872-V935 PolarHBondContact OH-N 3.35Å; Y872-V935 VanDerWaalsContact OH-N 3.17Å; V935-I937 HydrophobicContact CB-CG1 4.3Å; V935-I937 HydrophobicContact CG2-CD1 4.11Å; V935-I937 HydrophobicContact CG2-CG1 3.6Å; V935-I937 PolarHBondContact O-N 3.31Å; V935-I937 VanDerWaalsContact O-N 3.09Å; V935-F938 HydrophobicContact CG2-CD2 3.33Å; V935-F938 HydrophobicContact CG2-CE2 3.61Å; V935-F938 HydrophobicContact CG2-CG 4.16Å; V935-F938 PolarHBondContact O-N 2.9Å; V935-K939 PolarHBondContact O-N 3.01Å
936E88.1Confident91.5Very high113 Ų11347.5 Ų47.553%0.52825%0.247SC..Hα-helixtrans-51.4-39.4-171.4-56-51.6123.500113.8F938 K939 D940E936-F938 PolarHBondContact O-N 2.91Å; E936-K939 PolarHBondContact O-N 3.48Å; E936-K939 WeakPolarHBondContact OE1-CE 3.43Å; E936-K939 IonicContact OE1-NZ 3.26Å; E936-K939 PolarHBondContact OE1-NZ 3.06Å; E936-K939 WeakPolarHBondContact OE2-CD 3.35Å; E936-K939 IonicContact OE2-NZ 2.74Å; E936-D940 PolarHBondContact O-N 2.82Å
937I88.3Confident91.7Very high100 Ų10046.9 Ų46.951%0.51325%0.245SC..Hα-helixtrans-56.3-14.1175.962.4166.5000115V935V935-I937 HydrophobicContact CB-CG1 4.3Å; V935-I937 HydrophobicContact CG2-CD1 4.11Å; V935-I937 HydrophobicContact CG2-CG1 3.6Å; V935-I937 PolarHBondContact O-N 3.31Å; V935-I937 VanDerWaalsContact O-N 3.09Å
938F92.2Very high92Very high4 Ų441.3 Ų41.32%0.01822%0.221CC..Hα-helixtrans-114.7-9.6174.9-57.4-37.5000113.5L864 R867 V868 H871 Y872 R900 V935 E936L864-F938 HydrophobicContact CD1-CD1 3.94Å; R867-F938 HydrophobicContact CB-CE1 3.87Å; R867-F938 HydrophobicContact CB-CZ 4.25Å; V868-F938 HydrophobicContact CG2-CB 4.38Å; V868-F938 HydrophobicContact CG2-CD1 3.82Å; V868-F938 HydrophobicContact CG2-CD2 3.92Å; V868-F938 HydrophobicContact CG2-CE1 4.02Å; V868-F938 HydrophobicContact CG2-CE2 4.11Å; V868-F938 HydrophobicContact CG2-CG 3.79Å; V868-F938 HydrophobicContact CG2-CZ 4.16Å; H871-F938 HydrophobicContact CB-CE2 3.73Å; H871-F938 HydrophobicContact CB-CZ 3.81Å; H871-F938 AromaticContact CD2-CE2 3.89Å; H871-F938 AromaticContact CG-CE2 3.74Å; Y872-F938 HydrophobicContact CD2-CE2 4.48Å; Y872-F938 AromaticContact CE2-CD2 3.91Å; Y872-F938 HydrophobicContact CE2-CD2 3.91Å; Y872-F938 AromaticContact CE2-CE2 3.89Å; Y872-F938 HydrophobicContact CE2-CE2 3.89Å; R900-F938 WeakPolarHBondContact CD-O 3.22Å; R900-F938 PolarHBondContact NH1-O 3.47Å; V935-F938 HydrophobicContact CG2-CD2 3.33Å; V935-F938 HydrophobicContact CG2-CE2 3.61Å; V935-F938 HydrophobicContact CG2-CG 4.16Å; V935-F938 PolarHBondContact O-N 2.9Å; E936-F938 PolarHBondContact O-N 2.91Å
939K88.9Confident92.3Very high49 Ų4940.8 Ų40.821%0.21322%0.216CC..Hα-helixtrans-77.2-40.1170.6-67.1-172.8-173163.60111.4M889 C934 V935 E936 S941M889-K939 HydrophobicContact CB-CG 4.48Å; M889-K939 HydrophobicContact CE-CB 3.98Å; M889-K939 HydrophobicContact CE-CG 4.37Å; M889-K939 WeakPolarHBondContact CE-O 3.42Å; C934-K939 HydrophobicContact CB-CG 4.1Å; C934-K939 WeakPolarHBondContact O-CE 3.42Å; V935-K939 PolarHBondContact O-N 3.01Å; E936-K939 PolarHBondContact O-N 3.48Å; E936-K939 WeakPolarHBondContact OE1-CE 3.43Å; E936-K939 IonicContact OE1-NZ 3.26Å; E936-K939 PolarHBondContact OE1-NZ 3.06Å; E936-K939 WeakPolarHBondContact OE2-CD 3.35Å; E936-K939 IonicContact OE2-NZ 2.74Å; K939-S941 PolarHBondContact O-N 3.42Å; K939-S941 VanDerWaalsContact O-N 3.13Å
940D86.5Confident92.6Very high141 Ų14137.8 Ų37.875%0.75419%0.194SC*.SBendtrans-65.3-16.3-179-64.1-27.6000114.3E936E936-D940 PolarHBondContact O-N 2.82Å
941S89.3Confident92.8Very high26 Ų2634.7 Ų34.718%0.18218%0.18CC..SBendtrans-83.5135.5-177.2-620000111.8R900 K939R900-S941 PolarHBondContact NH1-O 2.92Å; K939-S941 PolarHBondContact O-N 3.42Å; K939-S941 VanDerWaalsContact O-N 3.13Å
942P91.6Very high92.7Very high56 Ų5634.7 Ų34.736%0.36418%0.18SC..PPolyproline II helixtrans-62.1164.9177.128.1-36.3000112.2F850 R900F850-P942 HydrophobicContact CE1-CG 3.92Å; F850-P942 HydrophobicContact CZ-CB 4.47Å; F850-P942 HydrophobicContact CZ-CG 3.97Å; R900-P942 PolarHBondContact NH2-O 3.24Å
943R92.3Very high92.7Very high45 Ų4532.8 Ų32.817%0.1717%0.173CC..PPolyproline II helixtrans-75.8138.7175.466.1-177.969.2-145-1.2110.4Y823 L917Y823-R943 HydrophobicContact CE2-CG 4.39Å; L917-R943 HydrophobicContact CB-CB 4.22Å; L917-R943 HydrophobicContact CD2-CB 4.3Å
944E93.7Very high92.6Very high6 Ų631 Ų313%0.02816%0.161CC..  trans-93.5-25.4-179.7-64.5-169.5-177.900114.4R845 F850 S862 L864 L917 D918R845-E944 WeakPolarHBondContact CD-OE2 3.45Å; R845-E944 HydrophobicContact CG-CB 4.23Å; R845-E944 IonicContact CZ-OE2 3.45Å; R845-E944 IonicContact NE-OE2 2.7Å; R845-E944 IonicContact NH1-OE2 2.7Å; R845-E944 PolarHBondContact NH1-OE2 3.3Å; F850-E944 HydrophobicContact CB-CG 4.27Å; F850-E944 HydrophobicContact CD1-CG 3.87Å; F850-E944 HydrophobicContact CD2-CG 4.43Å; F850-E944 HydrophobicContact CE1-CG 4.33Å; F850-E944 HydrophobicContact CG-CB 4.42Å; F850-E944 HydrophobicContact CG-CG 3.93Å; S862-E944 WeakPolarHBondContact CB-OE1 3.46Å; S862-E944 VanDerWaalsContact CB-OE2 3.28Å; S862-E944 WeakPolarHBondContact CB-OE2 3.47Å; S862-E944 PolarHBondContact OG-OE1 3.49Å; S862-E944 PolarHBondContact OG-OE2 3.06Å; L864-E944 WeakPolarHBondContact CB-OE1 3.47Å; L917-E944 PolarHBondContact O-N 3.28Å; D918-E944 HydrophobicContact CB-CB 4.24Å; D918-E944 PolarHBondContact OD1-N 2.77Å; D918-E944 VanDerWaalsContact OD1-N 3.12Å
945A94.3Very high92.3Very high1 Ų131 Ų311%0.00816%0.161CC..  trans-87.8124.8178.300000110.9L834 L917 T921L834-A945 HydrophobicContact CD1-CB 3.91Å; L917-A945 WeakPolarHBondContact O-CB 3.45Å; L917-A945 PolarHBondContact O-N 3.31Å; T921-A945 HydrophobicContact CG2-CB 4.02Å
946M95.2Very high91.7Very high0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-119.5140177.7-55.8-177.6176.200109.8Y823 A843 V844 L846 F850 I998Y823-M946 HydrophobicContact CD1-SD 4.39Å; Y823-M946 HydrophobicContact CD2-CE 3.76Å; Y823-M946 HydrophobicContact CD2-CG 4.42Å; Y823-M946 HydrophobicContact CD2-SD 4.12Å; Y823-M946 HydrophobicContact CE1-CB 4.08Å; Y823-M946 HydrophobicContact CE1-CG 4.09Å; Y823-M946 HydrophobicContact CE1-SD 4.39Å; Y823-M946 HydrophobicContact CE2-CE 3.91Å; Y823-M946 HydrophobicContact CE2-CG 3.84Å; Y823-M946 HydrophobicContact CE2-SD 4.15Å; Y823-M946 HydrophobicContact CG-CE 4.36Å; Y823-M946 HydrophobicContact CG-SD 4.26Å; A843-M946 WeakPolarHBondContact CA-O 3.47Å; V844-M946 HydrophobicContact CG2-CB 4.34Å; V844-M946 PolarHBondContact N-O 2.96Å; V844-M946 PolarHBondContact O-N 3.4Å; L846-M946 HydrophobicContact CD1-CE 3.76Å; L846-M946 HydrophobicContact CD1-SD 3.57Å; L846-M946 VanDerWaalsContact CD1-SD 3.57Å; L846-M946 HydrophobicContact CD2-SD 4.38Å; L846-M946 HydrophobicContact CG-CE 4.19Å; L846-M946 HydrophobicContact CG-SD 3.7Å; F850-M946 HydrophobicContact CE2-CE 4.05Å; M946-I998 HydrophobicContact CB-CD1 4.03Å; M946-I998 HydrophobicContact CG-CD1 4.44Å; M946-I998 HydrophobicContact SD-CD1 3.65Å
947D95.3Very high91.5Very high13 Ų1328.1 Ų28.17%0.0715%0.148CC..EExtended strand (participates in β ladder)trans-81.8120.2172.8-178.35.5000109.3S841 L842 T921 R949 I998S841-D947 PolarHBondContact OG-OD1 2.87Å; L842-D947 WeakPolarHBondContact O-CA 3.4Å; T921-D947 HydrophobicContact CG2-CB 4.44Å; D947-R949 WeakPolarHBondContact OD1-CG 3.36Å; D947-R949 IonicContact OD1-NE 2.78Å; D947-R949 PolarHBondContact OD1-NE 2.85Å; D947-R949 IonicContact OD2-CZ 3.49Å; D947-R949 IonicContact OD2-NE 3.7Å; D947-R949 PolarHBondContact OD2-NE 3.46Å; D947-R949 IonicContact OD2-NH2 2.65Å; D947-R949 PolarHBondContact OD2-NH2 3.31Å; D947-I998 PolarHBondContact O-N 3.03Å
948L96.8Very high91.3Very high0 Ų023.4 Ų23.40%012%0.124CC..EExtended strand (participates in β ladder)trans-114.6122-179.5-175.671.2000109.3I829 F831 S841 L842 V844 I998 V1000 I1003I829-L948 HydrophobicContact CD1-CD1 4.02Å; F831-L948 HydrophobicContact CD1-CD2 4.26Å; F831-L948 HydrophobicContact CD2-CD2 4.24Å; F831-L948 HydrophobicContact CE1-CD2 3.67Å; F831-L948 HydrophobicContact CE2-CD2 3.62Å; F831-L948 HydrophobicContact CZ-CD2 3.29Å; S841-L948 WeakPolarHBondContact CA-O 3.4Å; L842-L948 PolarHBondContact N-O 2.96Å; L842-L948 PolarHBondContact O-N 3.47Å; V844-L948 HydrophobicContact CG1-CB 3.9Å; V844-L948 HydrophobicContact CG1-CD2 3.87Å; V844-L948 HydrophobicContact CG2-CB 3.78Å; V844-L948 HydrophobicContact CG2-CD2 4.2Å; L948-I998 WeakPolarHBondContact CA-O 3.36Å; L948-I998 HydrophobicContact CD1-CB 3.82Å; L948-I998 HydrophobicContact CD1-CG2 3.63Å; L948-V1000 HydrophobicContact CD1-CG1 3.7Å; L948-V1000 HydrophobicContact CD1-CG2 4.06Å; L948-V1000 HydrophobicContact CG-CG2 4.25Å; L948-I1003 HydrophobicContact CD2-CD1 3.64Å; L948-I1003 HydrophobicContact CD2-CG1 4.22Å; L948-I1003 HydrophobicContact CG-CD1 4.27Å
949R96Very high90.8Very high20 Ų2026.7 Ų26.78%0.07514%0.141CC..EExtended strand (participates in β ladder)trans-122139.9-175.4-57.7-167.5-176.6-147-3.4112.9H793 A797 A840 D947 L951 T997 I998 F999 V1000H793-R949 PolarHBondContact CE1-NH2 3.02Å; H793-R949 VanDerWaalsContact CE1-NH2 3.33Å; H793-R949 PolarHBondContact NE2-NH2 2.97Å; A797-R949 VanDerWaalsContact CB-NH1 3.26Å; A840-R949 VanDerWaalsContact O-CA 3.25Å; A840-R949 WeakPolarHBondContact O-CA 3.12Å; D947-R949 WeakPolarHBondContact OD1-CG 3.36Å; D947-R949 IonicContact OD1-NE 2.78Å; D947-R949 PolarHBondContact OD1-NE 2.85Å; D947-R949 IonicContact OD2-CZ 3.49Å; D947-R949 IonicContact OD2-NE 3.7Å; D947-R949 PolarHBondContact OD2-NE 3.46Å; D947-R949 IonicContact OD2-NH2 2.65Å; D947-R949 PolarHBondContact OD2-NH2 3.31Å; R949-L951 PolarHBondContact O-N 3.1Å; R949-T997 HydrophobicContact CB-CG2 4.33Å; R949-T997 HydrophobicContact CG-CG2 3.73Å; R949-I998 PolarHBondContact N-O 3.34Å; R949-F999 HydrophobicContact CB-CD1 4.12Å; R949-F999 HydrophobicContact CB-CE1 4.18Å; R949-V1000 WeakPolarHBondContact O-CG2 3.35Å; R949-V1000 PolarHBondContact O-N 3.24Å
950I96.3Very high90.8Very high5 Ų525 Ų253%0.02613%0.134CC..EExtended strand (participates in β ladder)trans-81.5115.5170.1-58.7-179000108.2A840 G952 L953 V1000 I1003 L1011 L1012A840-I950 PolarHBondContact O-N 2.95Å; I950-G952 PolarHBondContact O-N 2.91Å; I950-L953 HydrophobicContact CB-CB 4.08Å; I950-L953 HydrophobicContact CB-CD2 3.97Å; I950-L953 HydrophobicContact CD1-CD2 3.97Å; I950-L953 HydrophobicContact CG2-CB 3.77Å; I950-L953 HydrophobicContact CG2-CD2 3.83Å; I950-L953 HydrophobicContact CG2-CG 4.45Å; I950-L953 PolarHBondContact O-N 3.23Å; I950-V1000 WeakPolarHBondContact CA-O 3.26Å; I950-I1003 HydrophobicContact CD1-CD1 4.44Å; I950-I1003 HydrophobicContact CG1-CD1 4.23Å; I950-I1003 HydrophobicContact CG1-CG1 4.43Å; I950-L1011 HydrophobicContact CD1-CD2 4Å; I950-L1011 HydrophobicContact CD1-CG 4.1Å; I950-L1012 HydrophobicContact CG2-CD1 4.22Å
951L95.2Very high90.7Very high25 Ų2524.3 Ų24.313%0.13113%0.129CC..THydrogen-bonded Turntrans-58.9127.1-173.9-177.266.7000111.8R949 L953 F999 V1000 C1027 Q1028 L1031R949-L951 PolarHBondContact O-N 3.1Å; L951-L953 PolarHBondContact O-N 3.24Å; L951-L953 VanDerWaalsContact O-N 3.14Å; L951-F999 HydrophobicContact CD1-CB 4.36Å; L951-F999 HydrophobicContact CD1-CD1 4Å; L951-F999 HydrophobicContact CD1-CG 4.4Å; L951-V1000 WeakPolarHBondContact CB-O 3.43Å; L951-V1000 PolarHBondContact N-O 2.81Å; L951-C1027 HydrophobicContact CD1-CB 4.16Å; L951-C1027 HydrophobicContact CG-CB 4.46Å; L951-Q1028 HydrophobicContact CD2-CB 4.22Å; L951-L1031 HydrophobicContact CD1-CD1 3.8Å
952G92.8Very high90.5Very high0 Ų024.5 Ų24.50%013%0.126CC..THydrogen-bonded Turntrans73-9.7177.600000116.7I950 Q954 D1024 C1027I950-G952 PolarHBondContact O-N 2.91Å; G952-Q954 PolarHBondContact O-N 2.92Å; G952-Q954 PolarHBondContact O-NE2 3.43Å; G952-D1024 PolarHBondContact O-N 2.74Å; G952-C1027 VanDerWaalsContact CA-CB 3.47Å; G952-C1027 PolarHBondContact N-SG 2.75Å; G952-C1027 VanDerWaalsContact N-SG 3.43Å
953L94.8Very high89.9Confident0 Ų024.1 Ų24.10%012%0.123CC..EExtended strand (participates in β ladder)trans-77.1108-174.3-179.261.5000111.7A840 I950 L951 W962 L1012 V1015 I1016A840-L953 HydrophobicContact CB-CB 4.07Å; A840-L953 HydrophobicContact CB-CD2 3.97Å; A840-L953 HydrophobicContact CB-CG 3.97Å; A840-L953 VanDerWaalsContact CB-O 3.26Å; A840-L953 WeakPolarHBondContact CB-O 3.25Å; I950-L953 HydrophobicContact CB-CB 4.08Å; I950-L953 HydrophobicContact CB-CD2 3.97Å; I950-L953 HydrophobicContact CD1-CD2 3.97Å; I950-L953 HydrophobicContact CG2-CB 3.77Å; I950-L953 HydrophobicContact CG2-CD2 3.83Å; I950-L953 HydrophobicContact CG2-CG 4.45Å; I950-L953 PolarHBondContact O-N 3.23Å; L951-L953 PolarHBondContact O-N 3.24Å; L951-L953 VanDerWaalsContact O-N 3.14Å; L953-W962 HydrophobicContact CD1-CH2 4.37Å; L953-W962 HydrophobicContact CD1-CZ2 4.44Å; L953-W962 HydrophobicContact CG-CH2 4.39Å; L953-W962 HydrophobicContact CG-CZ2 4.06Å; L953-L1012 HydrophobicContact CD1-CD1 3.89Å; L953-L1012 HydrophobicContact CD2-CD1 3.88Å; L953-L1012 HydrophobicContact CG-CD1 4.31Å; L953-V1015 HydrophobicContact CD1-CG1 4.41Å; L953-V1015 HydrophobicContact CD2-CG1 4.24Å; L953-I1016 HydrophobicContact CD1-CG1 4.5Å
954Q91.1Very high89.3Confident0 Ų026.4 Ų26.40%014%0.138CC..EExtended strand (participates in β ladder)trans-131.5156.2-17874.6-160.4-90.500111.6F798 G952 R960 S1021 H1022 D1024F798-Q954 HydrophobicContact CE1-CB 3.9Å; F798-Q954 HydrophobicContact CZ-CB 4.01Å; G952-Q954 PolarHBondContact O-N 2.92Å; G952-Q954 PolarHBondContact O-NE2 3.43Å; Q954-R960 HydrophobicContact CB-CG 4.39Å; Q954-S1021 CarbonylContact O-C 3.5Å; Q954-S1021 WeakPolarHBondContact O-CA 3.48Å; Q954-H1022 HydrophobicContact CG-CB 4.49Å; Q954-H1022 PolarHBondContact N-O 2.71Å; Q954-H1022 PolarHBondContact O-N 2.81Å; Q954-D1024 VanDerWaalsContact NE2-CB 3.27Å
955P87.9Confident88.3Confident6 Ų627.8 Ų27.84%0.03915%0.146CC..EExtended strand (participates in β ladder)trans-76165.4175.232.3-31.5000110.9S957 R960 W962P955-S957 PolarHBondContact O-N 3.34Å; P955-R960 VanDerWaalsContact CG-C 3.47Å; P955-W962 HydrophobicContact CB-CD2 3.93Å; P955-W962 HydrophobicContact CB-CE3 3.99Å; P955-W962 HydrophobicContact CB-CG 4.41Å; P955-W962 HydrophobicContact CB-CZ2 4.49Å; P955-W962 HydrophobicContact CB-CZ3 4.33Å; P955-W962 HydrophobicContact CG-CD2 4.12Å; P955-W962 HydrophobicContact CG-CG 4.18Å
956E79.8Confident87.8Confident59 Ų5927.8 Ų27.828%0.27615%0.146SC..SBendtrans-71.139.3175.8-73.4169.1-146.500114.1M759 R1020 S1021M759-E956 HydrophobicContact CE-CB 3.95Å; M759-E956 HydrophobicContact CE-CG 4.25Å; E956-R1020 HydrophobicContact CB-CB 4.17Å; E956-R1020 HydrophobicContact CG-CB 4.04Å; E956-R1020 PolarHBondContact N-O 2.93Å; E956-R1020 WeakPolarHBondContact OE1-CA 3.07Å; E956-R1020 VanDerWaalsContact OE1-CB 3.31Å; E956-R1020 WeakPolarHBondContact OE1-CB 3.16Å; E956-R1020 WeakPolarHBondContact OE2-CB 3.39Å; E956-R1020 WeakPolarHBondContact OE2-CD 3.29Å; E956-R1020 WeakPolarHBondContact OE2-CG 3.45Å; E956-S1021 PolarHBondContact OE1-N 3.27Å
957S82.7Confident87.5Confident34 Ų3431.2 Ų31.224%0.23816%0.159CC..SBendtrans-131.8142.4178.865.40000111.9P955 D959 R960P955-S957 PolarHBondContact O-N 3.34Å; S957-D959 VanDerWaalsContact C-N 3.3Å; S957-D959 PolarHBondContact O-N 3.33Å; S957-R960 WeakPolarHBondContact O-CA 3.48Å; S957-R960 PolarHBondContact O-N 3.34Å; S957-R960 PolarHBondContact OG-N 3.46Å
958L85.1Confident86.9Confident2 Ų233.2 Ų33.21%0.0117%0.17CC..THydrogen-bonded Turntrans-65.1-34.5178.2-63.8-169.5000112.6W752 C755 D756 M759 L770 Q794 R960W752-L958 HydrophobicContact CD2-CD1 3.96Å; W752-L958 HydrophobicContact CG-CD1 4.29Å; W752-L958 HydrophobicContact CH2-CD1 4.46Å; W752-L958 HydrophobicContact CZ2-CB 3.95Å; W752-L958 HydrophobicContact CZ2-CD1 3.85Å; C755-L958 HydrophobicContact CB-CD1 3.8Å; C755-L958 HydrophobicContact CB-CD2 4.21Å; D756-L958 HydrophobicContact CB-CD1 3.95Å; M759-L958 HydrophobicContact CG-CD2 3.98Å; L770-L958 HydrophobicContact CD2-CD2 3.69Å; Q794-L958 PolarHBondContact NE2-O 3.02Å; L958-R960 PolarHBondContact O-N 2.86Å
959D82.4Confident86.3Confident72 Ų7235.1 Ų35.139%0.38518%0.18SC..THydrogen-bonded Turntrans-66.5-16.1175.1-53.4-54.8000112.4Q794 S957 I961Q794-D959 VanDerWaalsContact NE2-C 3.25Å; Q794-D959 PolarHBondContact NE2-O 3.47Å; S957-D959 VanDerWaalsContact C-N 3.3Å; S957-D959 PolarHBondContact O-N 3.33Å; D959-I961 HydrophobicContact CB-CD1 4.02Å; D959-I961 HydrophobicContact CB-CG1 4.02Å; D959-I961 PolarHBondContact O-N 3.01Å
960R87.7Confident85.9Confident15 Ų1534.2 Ų34.26%0.05718%0.176CC..  trans58.123.1-178.9-67.6153.4151.7-180-8.7114.1Q794 F798 D800 Q954 P955 S957 L958Q794-R960 VanDerWaalsContact CD-CD 3.45Å; F798-R960 HydrophobicContact CE2-CB 4.04Å; F798-R960 HydrophobicContact CE2-CG 4.23Å; D800-R960 PolarHBondContact O-NH1 2.94Å; D800-R960 IonicContact OD1-CZ 3.39Å; D800-R960 IonicContact OD1-NH1 3.54Å; D800-R960 PolarHBondContact OD1-NH1 3.14Å; D800-R960 IonicContact OD1-NH2 2.75Å; D800-R960 PolarHBondContact OD1-NH2 3.1Å; D800-R960 IonicContact OD2-NH2 2.64Å; D800-R960 PolarHBondContact OD2-NH2 3.28Å; Q954-R960 HydrophobicContact CB-CG 4.39Å; P955-R960 VanDerWaalsContact CG-C 3.47Å; S957-R960 WeakPolarHBondContact O-CA 3.48Å; S957-R960 PolarHBondContact O-N 3.34Å; S957-R960 PolarHBondContact OG-N 3.46Å; L958-R960 PolarHBondContact O-N 2.86Å
961I84.8Confident85.5Confident126 Ų12639 Ų3965%0.64619%0.194SC*.PPolyproline II helixtrans-84.2123.3177.3-58.7173.9000109.2D959D959-I961 HydrophobicContact CB-CD1 4.02Å; D959-I961 HydrophobicContact CB-CG1 4.02Å; D959-I961 PolarHBondContact O-N 3.01Å
962W85.6Confident85Confident30 Ų3044.5 Ų44.511%0.11422%0.217CC..PPolyproline II helixtrans-80140171.1-7093.9000110.7P839 A840 L953 P955 A966 V1015 F1019P839-W962 HydrophobicContact CB-CD2 4.21Å; P839-W962 HydrophobicContact CB-CE3 4.07Å; P839-W962 HydrophobicContact CB-CH2 4.05Å; P839-W962 HydrophobicContact CB-CZ2 4.21Å; P839-W962 HydrophobicContact CB-CZ3 3.98Å; P839-W962 HydrophobicContact CG-CD2 3.87Å; P839-W962 HydrophobicContact CG-CE3 3.6Å; P839-W962 HydrophobicContact CG-CG 4.41Å; P839-W962 HydrophobicContact CG-CH2 4.46Å; P839-W962 HydrophobicContact CG-CZ3 3.92Å; A840-W962 HydrophobicContact CB-CZ2 4.17Å; L953-W962 HydrophobicContact CD1-CH2 4.37Å; L953-W962 HydrophobicContact CD1-CZ2 4.44Å; L953-W962 HydrophobicContact CG-CH2 4.39Å; L953-W962 HydrophobicContact CG-CZ2 4.06Å; P955-W962 HydrophobicContact CB-CD2 3.93Å; P955-W962 HydrophobicContact CB-CE3 3.99Å; P955-W962 HydrophobicContact CB-CG 4.41Å; P955-W962 HydrophobicContact CB-CZ2 4.49Å; P955-W962 HydrophobicContact CB-CZ3 4.33Å; P955-W962 HydrophobicContact CG-CD2 4.12Å; P955-W962 HydrophobicContact CG-CG 4.18Å; W962-A966 HydrophobicContact CE3-CB 4.28Å; W962-V1015 HydrophobicContact CH2-CG1 3.76Å; W962-V1015 HydrophobicContact CZ3-CG1 4.11Å; W962-F1019 HydrophobicContact CZ3-CB 4.14Å
963P78.6Confident84.5Confident47 Ų4746.2 Ų46.231%0.30523%0.226SC..PPolyproline II helixtrans-69.7146.8175.429-33.7000111.4D965 A966 R967P963-D965 PolarHBondContact O-N 2.87Å; P963-D965 VanDerWaalsContact O-N 3.13Å; P963-A966 HydrophobicContact CG-CB 3.96Å; P963-A966 PolarHBondContact O-N 2.99Å; P963-R967 PolarHBondContact O-N 3.28Å
964D78.6Confident84.1Confident93 Ų9346.6 Ų46.650%0.49723%0.228SC..Hα-helixtrans-53.8-35.1178.8-70.9-64.6000112.7A966 R967 N968D964-A966 VanDerWaalsContact C-N 3.33Å; D964-A966 PolarHBondContact O-N 3.49Å; D964-R967 PolarHBondContact O-N 3.04Å; D964-R967 IonicContact OD1-CZ 2.62Å; D964-R967 IonicContact OD1-NH1 3.26Å; D964-R967 PolarHBondContact OD1-NH1 2.8Å; D964-R967 IonicContact OD1-NH2 3.74Å; D964-R967 PolarHBondContact OD1-NH2 2.9Å; D964-N968 WeakPolarHBondContact O-CB 3.45Å; D964-N968 PolarHBondContact O-N 2.9Å; D964-N968 PolarHBondContact O-ND2 2.92Å; D964-N968 VanDerWaalsContact O-ND2 3.12Å
965D74.6Confident83.8Confident36 Ų3647.5 Ų47.519%0.19323%0.232CC..Hα-helixtrans-57.6-40.2174.7-10020.2000113P963 N968 L969P963-D965 PolarHBondContact O-N 2.87Å; P963-D965 VanDerWaalsContact O-N 3.13Å; D965-N968 PolarHBondContact O-N 2.86Å; D965-L969 VanDerWaalsContact O-CB 3.22Å; D965-L969 WeakPolarHBondContact O-CB 3.5Å; D965-L969 PolarHBondContact O-N 2.9Å
966A83.1Confident83.2Confident1 Ų156 Ų561%0.00826%0.263CS..Hα-helixtrans-70.6-44.2179.500000111.2P839 W962 P963 D964 N968 L969 V970 F1019P839-A966 HydrophobicContact CG-CB 3.79Å; W962-A966 HydrophobicContact CE3-CB 4.28Å; P963-A966 HydrophobicContact CG-CB 3.96Å; P963-A966 PolarHBondContact O-N 2.99Å; D964-A966 VanDerWaalsContact C-N 3.33Å; D964-A966 PolarHBondContact O-N 3.49Å; A966-N968 PolarHBondContact O-N 2.68Å; A966-L969 PolarHBondContact O-N 2.87Å; A966-V970 WeakPolarHBondContact O-CB 3.41Å; A966-V970 WeakPolarHBondContact O-CG2 3.36Å; A966-V970 PolarHBondContact O-N 2.85Å; A966-F1019 HydrophobicContact CB-CD1 3.66Å; A966-F1019 HydrophobicContact CB-CD2 4.42Å; A966-F1019 HydrophobicContact CB-CE1 3.55Å; A966-F1019 HydrophobicContact CB-CE2 4.33Å; A966-F1019 HydrophobicContact CB-CG 4.1Å; A966-F1019 HydrophobicContact CB-CZ 3.89Å
967R87.6Confident82Confident72 Ų7257.8 Ų57.827%0.27227%0.267SS..Hα-helixtrans-59.2-45.7171.6-175.4-169.270.6-133.1-11.5111.2C836 Y837 P963 D964 R971C836-R967 VanDerWaalsContact O-CD 3.24Å; C836-R967 WeakPolarHBondContact O-CD 3.24Å; C836-R967 VanDerWaalsContact O-CG 3.24Å; C836-R967 WeakPolarHBondContact O-CG 3.06Å; Y837-R967 WeakPolarHBondContact O-CD 3.4Å; P963-R967 PolarHBondContact O-N 3.28Å; D964-R967 PolarHBondContact O-N 3.04Å; D964-R967 IonicContact OD1-CZ 2.62Å; D964-R967 IonicContact OD1-NH1 3.26Å; D964-R967 PolarHBondContact OD1-NH1 2.8Å; D964-R967 IonicContact OD1-NH2 3.74Å; D964-R967 PolarHBondContact OD1-NH2 2.9Å; R967-R971 WeakPolarHBondContact O-CB 3.4Å; R967-R971 PolarHBondContact O-N 2.89Å
968N83.6Confident80.3Confident54 Ų5461.1 Ų61.129%0.28929%0.286SS..Hα-helixtrans-65.6-42.6-178.9-79.9-34.2000112.3D964 D965 A966 R971 K972D964-N968 WeakPolarHBondContact O-CB 3.45Å; D964-N968 PolarHBondContact O-N 2.9Å; D964-N968 PolarHBondContact O-ND2 2.92Å; D964-N968 VanDerWaalsContact O-ND2 3.12Å; D965-N968 PolarHBondContact O-N 2.86Å; A966-N968 PolarHBondContact O-N 2.68Å; N968-R971 PolarHBondContact O-N 3.22Å; N968-R971 PolarHBondContact OD1-NH2 2.9Å; N968-K972 VanDerWaalsContact O-CB 3.3Å; N968-K972 WeakPolarHBondContact O-CB 3.3Å; N968-K972 PolarHBondContact O-N 2.86Å
969L83.9Confident78.3Confident41 Ų4167.2 Ų67.222%0.21531%0.314CS..Hα-helixtrans-68.5-48.5177.1-167.9160.7000110.4D965 A966 R971 K972 D973 F1014 F1019D965-L969 VanDerWaalsContact O-CB 3.22Å; D965-L969 WeakPolarHBondContact O-CB 3.5Å; D965-L969 PolarHBondContact O-N 2.9Å; A966-L969 PolarHBondContact O-N 2.87Å; L969-R971 VanDerWaalsContact C-N 3.3Å; L969-R971 PolarHBondContact O-N 3.38Å; L969-K972 PolarHBondContact O-N 2.95Å; L969-K972 VanDerWaalsContact O-N 3.12Å; L969-D973 HydrophobicContact CD2-CB 3.91Å; L969-D973 HydrophobicContact CG-CB 4.36Å; L969-D973 WeakPolarHBondContact O-CA 3.43Å; L969-D973 VanDerWaalsContact O-CB 3.29Å; L969-D973 WeakPolarHBondContact O-CB 3.39Å; L969-D973 PolarHBondContact O-N 3.21Å; L969-F1014 HydrophobicContact CD2-CE1 3.68Å; L969-F1014 HydrophobicContact CD2-CZ 3.55Å; L969-F1019 HydrophobicContact CB-CZ 4.03Å; L969-F1019 HydrophobicContact CD1-CE1 4.47Å; L969-F1019 HydrophobicContact CD1-CZ 4.18Å; L969-F1019 HydrophobicContact CD2-CZ 3.93Å; L969-F1019 HydrophobicContact CG-CZ 4.26Å
970V88.9Confident76.7Confident0 Ų071.9 Ų71.90%034%0.339CS..Hα-helixtrans-56.5-44.2174.1169.20000111.4P839 A966 K972 F974 F975 L1011 F1014 V1015 F1019P839-V970 HydrophobicContact CB-CG2 4.1Å; P839-V970 HydrophobicContact CG-CG2 4.04Å; A966-V970 WeakPolarHBondContact O-CB 3.41Å; A966-V970 WeakPolarHBondContact O-CG2 3.36Å; A966-V970 PolarHBondContact O-N 2.85Å; V970-K972 PolarHBondContact O-N 3.36Å; V970-F974 HydrophobicContact CG1-CB 4.41Å; V970-F974 WeakPolarHBondContact O-CA 3.37Å; V970-F974 WeakPolarHBondContact O-CB 3.35Å; V970-F974 PolarHBondContact O-N 2.94Å; V970-F975 HydrophobicContact CG1-CD2 3.9Å; V970-F975 HydrophobicContact CG1-CE2 3.51Å; V970-F975 HydrophobicContact CG1-CZ 4.3Å; V970-F975 PolarHBondContact O-N 3.37Å; V970-F975 VanDerWaalsContact O-N 3.09Å; V970-L1011 HydrophobicContact CG1-CD1 3.78Å; V970-F1014 HydrophobicContact CG2-CD1 4.25Å; V970-F1014 HydrophobicContact CG2-CE1 3.99Å; V970-V1015 HydrophobicContact CG2-CG2 3.91Å; V970-F1019 HydrophobicContact CG2-CE2 3.93Å
971R87.8Confident75.1Confident106 Ų10676.1 Ų76.140%0.436%0.358SS..Iπ-helixtrans-60.8-37.5176.1-176.8173.465.4148.3-2.9113.6R967 N968 L969 R976R967-R971 WeakPolarHBondContact O-CB 3.4Å; R967-R971 PolarHBondContact O-N 2.89Å; N968-R971 PolarHBondContact O-N 3.22Å; N968-R971 PolarHBondContact OD1-NH2 2.9Å; L969-R971 VanDerWaalsContact C-N 3.3Å; L969-R971 PolarHBondContact O-N 3.38Å; R971-R976 WeakPolarHBondContact O-CB 3.48Å; R971-R976 WeakPolarHBondContact O-CD 3.35Å; R971-R976 WeakPolarHBondContact O-CG 3.37Å; R971-R976 PolarHBondContact O-N 3.39Å
972K83.3Confident73.7Confident140 Ų14079.9 Ų79.961%0.60936%0.364SS*.Iπ-helixtrans-87.5-41.3-177.7-171.6-168.7168.4-1650113N968 L969 V970 R976N968-K972 VanDerWaalsContact O-CB 3.3Å; N968-K972 WeakPolarHBondContact O-CB 3.3Å; N968-K972 PolarHBondContact O-N 2.86Å; L969-K972 PolarHBondContact O-N 2.95Å; L969-K972 VanDerWaalsContact O-N 3.12Å; V970-K972 PolarHBondContact O-N 3.36Å; K972-R976 CarbonylContact O-C 3.29Å; K972-R976 WeakPolarHBondContact O-CB 3.44Å
973D83.1Confident72.6Confident37 Ų3783.3 Ų83.320%0.19839%0.385CS..Iπ-helixtrans-113-6.9-162-79.549.7000113.7L969 R977 F1014L969-D973 HydrophobicContact CD2-CB 3.91Å; L969-D973 HydrophobicContact CG-CB 4.36Å; L969-D973 WeakPolarHBondContact O-CA 3.43Å; L969-D973 VanDerWaalsContact O-CB 3.29Å; L969-D973 WeakPolarHBondContact O-CB 3.39Å; L969-D973 PolarHBondContact O-N 3.21Å; D973-R977 WeakPolarHBondContact O-CD 3.42Å; D973-R977 PolarHBondContact O-NE 2.99Å; D973-R977 VanDerWaalsContact O-NE 3.1Å; D973-R977 PolarHBondContact O-NH1 2.9Å; D973-R977 IonicContact OD2-CZ 2.72Å; D973-R977 IonicContact OD2-NE 3.82Å; D973-R977 PolarHBondContact OD2-NE 2.92Å; D973-R977 IonicContact OD2-NH2 2.75Å; D973-R977 PolarHBondContact OD2-NH2 2.83Å; D973-F1014 HydrophobicContact CB-CZ 3.91Å; D973-F1014 WeakPolarHBondContact O-CE2 3.27Å
974F86.6Confident72.6Confident8 Ų882.1 Ų82.14%0.03537%0.374CS..Iπ-helixtrans-109.5-64.1161.2-169.7-90.9000110.2V970 R984 F986 D1005 N1009 L1011 F1014V970-F974 HydrophobicContact CG1-CB 4.41Å; V970-F974 WeakPolarHBondContact O-CA 3.37Å; V970-F974 WeakPolarHBondContact O-CB 3.35Å; V970-F974 PolarHBondContact O-N 2.94Å; F974-R984 PolarHBondContact O-NH1 3.35Å; F974-F986 HydrophobicContact CD1-CE1 4.37Å; F974-F986 HydrophobicContact CE1-CD1 4.15Å; F974-F986 AromaticContact CE1-CE1 3.95Å; F974-F986 HydrophobicContact CE1-CE1 3.95Å; F974-D1005 HydrophobicContact CZ-CB 4.47Å; F974-N1009 HydrophobicContact CE2-CB 4.01Å; F974-N1009 WeakPolarHBondContact CZ-O 3.37Å; F974-L1011 HydrophobicContact CB-CD1 4.2Å; F974-L1011 HydrophobicContact CD1-CB 4.39Å; F974-L1011 HydrophobicContact CD1-CD1 3.83Å; F974-L1011 HydrophobicContact CD1-CG 4.47Å; F974-L1011 HydrophobicContact CD2-CD1 4.07Å; F974-L1011 HydrophobicContact CE1-CB 3.88Å; F974-L1011 HydrophobicContact CE1-CD1 4.21Å; F974-L1011 HydrophobicContact CE1-CD2 4.44Å; F974-L1011 HydrophobicContact CE1-CG 4.4Å; F974-L1011 HydrophobicContact CE2-CB 4.04Å; F974-L1011 HydrophobicContact CE2-CD1 4.42Å; F974-L1011 HydrophobicContact CG-CD1 3.76Å; F974-L1011 HydrophobicContact CZ-CB 3.69Å; F974-L1011 HydrophobicContact CZ-CD1 4.49Å; F974-F1014 HydrophobicContact CB-CD1 4.24Å; F974-F1014 HydrophobicContact CB-CD2 4.42Å; F974-F1014 HydrophobicContact CB-CE1 4.15Å; F974-F1014 HydrophobicContact CB-CE2 4.3Å; F974-F1014 HydrophobicContact CB-CG 4.4Å; F974-F1014 HydrophobicContact CB-CZ 4.17Å; F974-F1014 HydrophobicContact CD2-CB 3.91Å; F974-F1014 HydrophobicContact CD2-CD1 4.39Å; F974-F1014 AromaticContact CD2-CD2 3.86Å; F974-F1014 HydrophobicContact CD2-CD2 3.86Å; F974-F1014 HydrophobicContact CD2-CE2 4.48Å; F974-F1014 AromaticContact CD2-CG 3.81Å; F974-F1014 HydrophobicContact CD2-CG 3.81Å; F974-F1014 HydrophobicContact CE2-CB 4.3Å
975F85.2Confident72.9Confident19 Ų1981.3 Ų81.38%0.08337%0.367CS..Iπ-helixtrans-68.2-41.5-172.6-64-55.4000114V833 C836 L842 V970 R984 F986 L1011V833-F975 HydrophobicContact CB-CD1 4.49Å; V833-F975 HydrophobicContact CG2-CD1 3.93Å; V833-F975 HydrophobicContact CG2-CE1 3.73Å; V833-F975 HydrophobicContact CG2-CZ 4.28Å; C836-F975 HydrophobicContact CB-CD2 4.18Å; C836-F975 HydrophobicContact CB-CE2 4.05Å; L842-F975 HydrophobicContact CD1-CE1 4.25Å; L842-F975 HydrophobicContact CD1-CE2 4.35Å; L842-F975 HydrophobicContact CD1-CZ 3.59Å; L842-F975 HydrophobicContact CD2-CE2 3.62Å; L842-F975 HydrophobicContact CD2-CZ 3.71Å; L842-F975 HydrophobicContact CG-CZ 4.33Å; V970-F975 HydrophobicContact CG1-CD2 3.9Å; V970-F975 HydrophobicContact CG1-CE2 3.51Å; V970-F975 HydrophobicContact CG1-CZ 4.3Å; V970-F975 PolarHBondContact O-N 3.37Å; V970-F975 VanDerWaalsContact O-N 3.09Å; F975-R984 PolarHBondContact O-NH1 3.26Å; F975-F986 HydrophobicContact CB-CZ 4.49Å; F975-F986 HydrophobicContact CD1-CD1 4.22Å; F975-F986 AromaticContact CD1-CE1 3.68Å; F975-F986 HydrophobicContact CD1-CE1 3.68Å; F975-F986 HydrophobicContact CD1-CE2 4.17Å; F975-F986 AromaticContact CD1-CZ 3.68Å; F975-F986 HydrophobicContact CD1-CZ 3.68Å; F975-F986 HydrophobicContact CE1-CD1 4.27Å; F975-F986 HydrophobicContact CE1-CE1 4.17Å; F975-F986 HydrophobicContact CE1-CZ 4.49Å; F975-L1011 HydrophobicContact CE1-CD2 4.2Å; F975-L1011 HydrophobicContact CE2-CD2 4.46Å; F975-L1011 HydrophobicContact CZ-CD2 3.6Å
976R74.8Confident73.8Confident183 Ų18379.9 Ų79.969%0.69136%0.36SS*.THydrogen-bonded Turntrans-94.27.6-177-72175.6174.8-159.7-2.2115.6R971 K972R971-R976 WeakPolarHBondContact O-CB 3.48Å; R971-R976 WeakPolarHBondContact O-CD 3.35Å; R971-R976 WeakPolarHBondContact O-CG 3.37Å; R971-R976 PolarHBondContact O-N 3.39Å; K972-R976 CarbonylContact O-C 3.29Å; K972-R976 WeakPolarHBondContact O-CB 3.44Å
977R55.2Low74.4Confident97 Ų9782.8 Ų82.837%0.36637%0.373SS..  trans-74.5150.2-165.7-132.6-173.6-140.6168.20.7114.9D973 H979D973-R977 WeakPolarHBondContact O-CD 3.42Å; D973-R977 PolarHBondContact O-NE 2.99Å; D973-R977 VanDerWaalsContact O-NE 3.1Å; D973-R977 PolarHBondContact O-NH1 2.9Å; D973-R977 IonicContact OD2-CZ 2.72Å; D973-R977 IonicContact OD2-NE 3.82Å; D973-R977 PolarHBondContact OD2-NE 2.92Å; D973-R977 IonicContact OD2-NH2 2.75Å; D973-R977 PolarHBondContact OD2-NH2 2.83Å; R977-H979 PolarHBondContact O-N 2.66Å
978T46.4Very low74.9Confident104 Ų10479.3 Ų79.364%0.63836%0.36SS*.SBendtrans64.7-33.5155.926.70000122.5
979H43.3Very low75.5Confident130 Ų13080.2 Ų80.260%0.60237%0.367SS*.SBendtrans-138.7149.8-178.1-69.2-60.5000116R977 K981R977-H979 PolarHBondContact O-N 2.66Å; H979-K981 HydrophobicContact CB-CG 4.36Å; H979-K981 PolarHBondContact O-N 3.22Å
980N47.3Very low76.1Confident170 Ų17078.5 Ų78.591%0.90936%0.358SS*.  trans-66.518.8178.3-77.8-29.6000115R982N980-R982 PolarHBondContact O-N 2.85Å
981K54.1Low76.4Confident104 Ų10481.7 Ų81.745%0.45237%0.373SS..  trans-65.692.7172.1-67.8176.9-178.9172.10108.6H979 N983 R984 E1007H979-K981 HydrophobicContact CB-CG 4.36Å; H979-K981 PolarHBondContact O-N 3.22Å; K981-N983 PolarHBondContact O-N 3.24Å; K981-N983 VanDerWaalsContact O-N 3.13Å; K981-R984 HydrophobicContact CB-CG 4.1Å; K981-E1007 IonicContact NZ-OE1 3.22Å; K981-E1007 PolarHBondContact NZ-OE1 2.82Å
982R56.8Low76.6Confident206 Ų20677.4 Ų77.478%0.77736%0.36SS*.SBendtrans-57.9-27-179.6-69.7-178.7176.3174.8-1.7112.9R855 N980R855-R982 PolarHBondContact NH2-O 3.27Å; N980-R982 PolarHBondContact O-N 2.85Å
983N62.2Low77.1Confident101 Ų10171.4 Ų71.454%0.5434%0.336SS..  trans-114.394.1172.2-61.3-7.3000108.4R855 K981R855-N983 PolarHBondContact NE-OD1 2.92Å; R855-N983 VanDerWaalsContact NE-OD1 3.13Å; R855-N983 PolarHBondContact NH2-OD1 3.11Å; K981-N983 PolarHBondContact O-N 3.24Å; K981-N983 VanDerWaalsContact O-N 3.13Å
984R78.3Confident77.5Confident22 Ų2270.4 Ų70.48%0.08333%0.33CS..  trans-90.5135.2159.5-61-174.977.5-150.56.1107.7L832 F974 F975 K981 F986 D1005L832-R984 WeakPolarHBondContact CD1-O 3.43Å; F974-R984 PolarHBondContact O-NH1 3.35Å; F975-R984 PolarHBondContact O-NH1 3.26Å; K981-R984 HydrophobicContact CB-CG 4.1Å; R984-F986 HydrophobicContact CB-CE2 4.05Å; R984-F986 HydrophobicContact CB-CZ 4.12Å; R984-D1005 IonicContact CZ-OD2 3.65Å; R984-D1005 VanDerWaalsContact NH2-CG 3.35Å; R984-D1005 IonicContact NH2-OD2 2.66Å; R984-D1005 PolarHBondContact NH2-OD2 2.84Å
985Q85.8Confident77.5Confident76 Ų7672.4 Ų72.436%0.35534%0.34SS..  trans-100.4161.5168.6-74.1-176.3-21.500109.9S847 D1006S847-Q985 VanDerWaalsContact CB-NE2 3.34Å; Q985-D1006 WeakPolarHBondContact CB-OD1 3.34Å; Q985-D1006 PolarHBondContact N-OD2 3.33Å; Q985-D1006 VanDerWaalsContact O-CG 3.31Å
986F93.6Very high77.6Confident7 Ų774.8 Ų74.83%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-134.4150176.4-60.2-87.8000107.8R830 F831 V833 F974 F975 R984 I1003 Y1004 D1005R830-F986 WeakPolarHBondContact CA-O 3.39Å; F831-F986 WeakPolarHBondContact CD1-O 3.22Å; F831-F986 HydrophobicContact CD2-CB 4.03Å; F831-F986 HydrophobicContact CE1-CB 4.33Å; F831-F986 HydrophobicContact CE2-CB 3.55Å; F831-F986 HydrophobicContact CE2-CG 4.45Å; F831-F986 HydrophobicContact CZ-CB 3.72Å; F831-F986 PolarHBondContact N-O 2.9Å; F831-F986 PolarHBondContact O-N 3.32Å; V833-F986 HydrophobicContact CG2-CD2 3.89Å; V833-F986 HydrophobicContact CG2-CE2 4.27Å; V833-F986 HydrophobicContact CG2-CG 4.35Å; F974-F986 HydrophobicContact CD1-CE1 4.37Å; F974-F986 HydrophobicContact CE1-CD1 4.15Å; F974-F986 AromaticContact CE1-CE1 3.95Å; F974-F986 HydrophobicContact CE1-CE1 3.95Å; F975-F986 HydrophobicContact CB-CZ 4.49Å; F975-F986 HydrophobicContact CD1-CD1 4.22Å; F975-F986 AromaticContact CD1-CE1 3.68Å; F975-F986 HydrophobicContact CD1-CE1 3.68Å; F975-F986 HydrophobicContact CD1-CE2 4.17Å; F975-F986 AromaticContact CD1-CZ 3.68Å; F975-F986 HydrophobicContact CD1-CZ 3.68Å; F975-F986 HydrophobicContact CE1-CD1 4.27Å; F975-F986 HydrophobicContact CE1-CE1 4.17Å; F975-F986 HydrophobicContact CE1-CZ 4.49Å; R984-F986 HydrophobicContact CB-CE2 4.05Å; R984-F986 HydrophobicContact CB-CZ 4.12Å; F986-I1003 HydrophobicContact CB-CG2 4.25Å; F986-Y1004 CarbonylContact C-O 3.57Å; F986-Y1004 VanDerWaalsContact CA-O 3.26Å; F986-Y1004 WeakPolarHBondContact CA-O 3.44Å; F986-D1005 HydrophobicContact CD1-CB 3.68Å; F986-D1005 HydrophobicContact CE1-CB 3.57Å
987H95.6Very high78.6Confident61 Ų6166.6 Ų66.628%0.28232%0.319SS..EExtended strand (participates in β ladder)trans-136149.6-178.864.4-84.4000112.1L828 I829 R830 Y1004 D1005L828-H987 HydrophobicContact CD1-CB 4.27Å; I829-H987 WeakPolarHBondContact O-CA 3.26Å; I829-H987 WeakPolarHBondContact O-CB 3.42Å; R830-H987 HydrophobicContact CG-CB 4.41Å; H987-Y1004 PolarHBondContact N-O 2.86Å; H987-Y1004 PolarHBondContact O-N 2.85Å; H987-D1005 PolarHBondContact CE1-O 3.36Å
988A97.2Very high80.5Confident0 Ų062 Ų620%030%0.301CS..EExtended strand (participates in β ladder)trans-154.2158.5-177.900000110.8I829 F831 V1000 N1002 I1003I829-A988 HydrophobicContact CG1-CB 4.27Å; I829-A988 VanDerWaalsContact CG1-O 3.3Å; I829-A988 WeakPolarHBondContact CG1-O 3.28Å; I829-A988 PolarHBondContact N-O 3.25Å; I829-A988 PolarHBondContact O-N 3.47Å; F831-A988 HydrophobicContact CE1-CB 3.8Å; F831-A988 HydrophobicContact CZ-CB 4.37Å; A988-V1000 HydrophobicContact CB-CB 4Å; A988-V1000 HydrophobicContact CB-CG1 3.68Å; A988-V1000 HydrophobicContact CB-CG2 4.18Å; A988-N1002 VanDerWaalsContact CB-O 3.26Å; A988-N1002 WeakPolarHBondContact CB-O 3.48Å; A988-I1003 HydrophobicContact CB-CG1 4.21Å
989V96.9Very high82.9Confident73 Ų7357.2 Ų57.244%0.44227%0.271SS..EExtended strand (participates in β ladder)trans-105.6113.2176.3-177.10000109.4G827 L828 Q991G827-V989 CarbonylContact O-C 3.27Å; G827-V989 WeakPolarHBondContact O-CA 3.48Å; L828-V989 HydrophobicContact CD1-CG2 4.03Å; V989-Q991 PolarHBondContact O-N 2.87Å; V989-Q991 PolarHBondContact O-NE2 2.88Å
990V96.8Very high85.5Confident5 Ų551 Ų513%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-62128.3177.7-179.40000109.6P824 G827 I829 I998P824-V990 HydrophobicContact CB-CG2 4.39Å; P824-V990 HydrophobicContact CG-CG2 4.28Å; G827-V990 PolarHBondContact O-N 3.03Å; I829-V990 HydrophobicContact CD1-CG2 4.01Å; I829-V990 HydrophobicContact CG1-CG2 4.07Å; I829-V990 HydrophobicContact CG2-CG2 3.73Å; V990-I998 HydrophobicContact CB-CG2 4.4Å; V990-I998 HydrophobicContact CG1-CG2 3.96Å; V990-I998 HydrophobicContact CG2-CG2 3.7Å
991Q94.7Very high87.7Confident66 Ų6650.9 Ų50.931%0.30823%0.23SC..EExtended strand (participates in β ladder)trans-94-46.3172.9-59.3-56.3-84.800110.8V989 F999 R1001V989-Q991 PolarHBondContact O-N 2.87Å; V989-Q991 PolarHBondContact O-NE2 2.88Å; Q991-F999 PolarHBondContact N-O 3.41Å; Q991-R1001 HydrophobicContact CG-CG 3.68Å
992S92.7Very high89.7Confident17 Ų1746.5 Ų46.512%0.11921%0.211CC..EExtended strand (participates in β ladder)trans-154.2154.6-178.752.50000109F999 Q1028S992-F999 PolarHBondContact O-N 2.87Å; S992-Q1028 PolarHBondContact OG-NE2 3.24Å; S992-Q1028 PolarHBondContact OG-OE1 3.06Å
993A93.6Very high91.6Very high14 Ų1436.7 Ų36.712%0.11617%0.174CC..EExtended strand (participates in β ladder)trans-130.4124.2168.100000107.2P819 T997P819-A993 HydrophobicContact CB-CB 3.94Å; P819-A993 HydrophobicContact CG-CB 3.91Å; P819-A993 WeakPolarHBondContact CG-O 3.49Å; A993-T997 WeakPolarHBondContact CA-O 3.14Å
994I91.4Very high93.2Very high15 Ų1536 Ų368%0.07716%0.164CC..EExtended strand (participates in β ladder)trans-134.8128.3-173.5-51.5173.3000106.4M812 R996 T997 F999 L1031 M1034 V1035M812-I994 HydrophobicContact CE-CG2 3.98Å; M812-I994 HydrophobicContact SD-CG2 4.1Å; I994-R996 PolarHBondContact O-N 3.32Å; I994-T997 PolarHBondContact N-O 2.86Å; I994-T997 WeakPolarHBondContact O-CB 3.12Å; I994-T997 PolarHBondContact O-N 2.81Å; I994-T997 VanDerWaalsContact O-N 3.08Å; I994-F999 HydrophobicContact CB-CE2 4.24Å; I994-F999 HydrophobicContact CD1-CE2 4.26Å; I994-F999 HydrophobicContact CG1-CE2 4.37Å; I994-L1031 HydrophobicContact CD1-CB 3.9Å; I994-M1034 HydrophobicContact CG2-CE 4.3Å; I994-V1035 HydrophobicContact CD1-CG2 4.15Å; I994-V1035 HydrophobicContact CG2-CG2 3.62Å
995H86.6Confident93.7Very high50 Ų5035.1 Ų35.123%0.23116%0.161CC..THydrogen-bonded Turntrans50.5-133.9-171.3-164.361.8000111.9M812 E816 V817 P819 P820 T997M812-H995 HydrophobicContact CE-CB 3.89Å; E816-H995 WeakPolarHBondContact CA-ND1 3.3Å; E816-H995 WeakPolarHBondContact CB-ND1 3.49Å; E816-H995 WeakPolarHBondContact O-CA 3.43Å; E816-H995 WeakPolarHBondContact O-CB 3.33Å; E816-H995 PolarHBondContact O-N 3.08Å; E816-H995 PolarHBondContact O-ND1 3.4Å; V817-H995 PolarHBondContact O-N 2.7Å; P819-H995 VanDerWaalsContact CA-O 3.25Å; P819-H995 WeakPolarHBondContact CA-O 3.49Å; P819-H995 WeakPolarHBondContact CB-O 3.29Å; P820-H995 WeakPolarHBondContact CD-O 3.16Å; H995-T997 VanDerWaalsContact C-N 3.25Å; H995-T997 PolarHBondContact O-N 2.82Å
996R87.5Confident93.6Very high70 Ų7035.2 Ų35.226%0.26416%0.164SC..THydrogen-bonded Turntrans-86.614.7179.7-60.8172.4-173.2-1620113.1Y823 I994Y823-R996 VanDerWaalsContact CE1-O 3.3Å; Y823-R996 WeakPolarHBondContact CE1-O 3.37Å; Y823-R996 PolarHBondContact OH-O 3.09Å; I994-R996 PolarHBondContact O-N 3.32Å
997T93.9Very high93.2Very high11 Ų1139.1 Ų39.17%0.06718%0.183CC..EExtended strand (participates in β ladder)trans-120.1132.7-170.7-48.10000112.1R949 A993 I994 H995 F999R949-T997 HydrophobicContact CB-CG2 4.33Å; R949-T997 HydrophobicContact CG-CG2 3.73Å; A993-T997 WeakPolarHBondContact CA-O 3.14Å; I994-T997 PolarHBondContact N-O 2.86Å; I994-T997 WeakPolarHBondContact O-CB 3.12Å; I994-T997 PolarHBondContact O-N 2.81Å; I994-T997 VanDerWaalsContact O-N 3.08Å; H995-T997 VanDerWaalsContact C-N 3.25Å; H995-T997 PolarHBondContact O-N 2.82Å; T997-F999 HydrophobicContact CG2-CD2 4.24Å; T997-F999 HydrophobicContact CG2-CE1 4.11Å; T997-F999 HydrophobicContact CG2-CE2 3.67Å; T997-F999 HydrophobicContact CG2-CZ 3.6Å
998I96.3Very high92.7Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-105.4126.3173.7-57.7171000108.6Y823 P824 M946 D947 L948 R949 V990 V1000Y823-I998 HydrophobicContact CD1-CD1 3.86Å; Y823-I998 HydrophobicContact CD1-CG1 3.61Å; Y823-I998 HydrophobicContact CE1-CD1 4.23Å; Y823-I998 HydrophobicContact CE1-CG1 4.01Å; P824-I998 HydrophobicContact CG-CD1 3.98Å; M946-I998 HydrophobicContact CB-CD1 4.03Å; M946-I998 HydrophobicContact CG-CD1 4.44Å; M946-I998 HydrophobicContact SD-CD1 3.65Å; D947-I998 PolarHBondContact O-N 3.03Å; L948-I998 WeakPolarHBondContact CA-O 3.36Å; L948-I998 HydrophobicContact CD1-CB 3.82Å; L948-I998 HydrophobicContact CD1-CG2 3.63Å; R949-I998 PolarHBondContact N-O 3.34Å; V990-I998 HydrophobicContact CB-CG2 4.4Å; V990-I998 HydrophobicContact CG1-CG2 3.96Å; V990-I998 HydrophobicContact CG2-CG2 3.7Å; I998-V1000 HydrophobicContact CG2-CG1 4.48Å
999F96.5Very high92.3Very high3 Ų342.5 Ų42.51%0.01322%0.215CC..EExtended strand (participates in β ladder)trans-104.2131.2178.8-65.9-86.4000111.6R949 L951 Q991 S992 I994 T997 L1031R949-F999 HydrophobicContact CB-CD1 4.12Å; R949-F999 HydrophobicContact CB-CE1 4.18Å; L951-F999 HydrophobicContact CD1-CB 4.36Å; L951-F999 HydrophobicContact CD1-CD1 4Å; L951-F999 HydrophobicContact CD1-CG 4.4Å; Q991-F999 PolarHBondContact N-O 3.41Å; S992-F999 PolarHBondContact O-N 2.87Å; I994-F999 HydrophobicContact CB-CE2 4.24Å; I994-F999 HydrophobicContact CD1-CE2 4.26Å; I994-F999 HydrophobicContact CG1-CE2 4.37Å; T997-F999 HydrophobicContact CG2-CD2 4.24Å; T997-F999 HydrophobicContact CG2-CE1 4.11Å; T997-F999 HydrophobicContact CG2-CE2 3.67Å; T997-F999 HydrophobicContact CG2-CZ 3.6Å; F999-L1031 HydrophobicContact CD1-CD1 4.01Å; F999-L1031 HydrophobicContact CD2-CD1 4.43Å; F999-L1031 HydrophobicContact CE1-CD1 3.65Å; F999-L1031 HydrophobicContact CE2-CD1 4.12Å; F999-L1031 HydrophobicContact CG-CD1 4.38Å; F999-L1031 HydrophobicContact CZ-CD1 3.71Å; F999-L1031 HydrophobicContact CZ-CD2 4.07Å
1000V97.1Very high92.1Very high0 Ų041.1 Ų41.10%021%0.205CC..EExtended strand (participates in β ladder)trans-130150.6178.6-65.10000110.3L948 R949 I950 L951 A988 I998 N1002 I1003L948-V1000 HydrophobicContact CD1-CG1 3.7Å; L948-V1000 HydrophobicContact CD1-CG2 4.06Å; L948-V1000 HydrophobicContact CG-CG2 4.25Å; R949-V1000 WeakPolarHBondContact O-CG2 3.35Å; R949-V1000 PolarHBondContact O-N 3.24Å; I950-V1000 WeakPolarHBondContact CA-O 3.26Å; L951-V1000 WeakPolarHBondContact CB-O 3.43Å; L951-V1000 PolarHBondContact N-O 2.81Å; A988-V1000 HydrophobicContact CB-CB 4Å; A988-V1000 HydrophobicContact CB-CG1 3.68Å; A988-V1000 HydrophobicContact CB-CG2 4.18Å; I998-V1000 HydrophobicContact CG2-CG1 4.48Å; V1000-N1002 VanDerWaalsContact C-N 3.31Å; V1000-I1003 HydrophobicContact CG2-CD1 4.41Å; V1000-I1003 HydrophobicContact CG2-CG1 3.96Å
1001R94.6Very high92Very high168 Ų16840.9 Ų40.963%0.63420%0.204SC*.SBendtrans-70.1-31.8172.7-63.3-167.2-170.4-153.7-1.9112.4Q991Q991-R1001 HydrophobicContact CG-CG 3.68Å
1002N95.9Very high91.9Very high11 Ų1138.6 Ų38.66%0.05919%0.194CC..  trans-162.4166.9-172.8-155-6.3000111.3A988 V1000 Y1004 D1010 L1012A988-N1002 VanDerWaalsContact CB-O 3.26Å; A988-N1002 WeakPolarHBondContact CB-O 3.48Å; V1000-N1002 VanDerWaalsContact C-N 3.31Å; N1002-Y1004 HydrophobicContact CB-CE2 3.99Å; N1002-Y1004 WeakPolarHBondContact ND2-CE1 3.3Å; N1002-Y1004 PolarHBondContact ND2-OH 2.95Å; N1002-D1010 PolarHBondContact ND2-OD1 2.87Å; N1002-D1010 PolarHBondContact ND2-OD2 3.29Å; N1002-D1010 PolarHBondContact OD1-OD1 3.22Å; N1002-D1010 VanDerWaalsContact OD1-OD1 3.11Å; N1002-L1012 HydrophobicContact CB-CB 4.5Å; N1002-L1012 WeakPolarHBondContact OD1-CB 3.4Å; N1002-L1012 PolarHBondContact OD1-N 2.87Å
1003I96.4Very high91.9Very high1 Ų140.2 Ų40.21%0.00521%0.205CC..  trans-129.5132.1174.6-66.2174.6000108.4F831 L842 L948 I950 F986 A988 V1000 L1011F831-I1003 HydrophobicContact CE2-CG2 4.36Å; F831-I1003 HydrophobicContact CZ-CB 4.5Å; F831-I1003 HydrophobicContact CZ-CD1 4.15Å; F831-I1003 HydrophobicContact CZ-CG1 4.09Å; F831-I1003 HydrophobicContact CZ-CG2 3.75Å; L842-I1003 HydrophobicContact CD1-CD1 3.49Å; L842-I1003 VanDerWaalsContact CD1-CD1 3.49Å; L948-I1003 HydrophobicContact CD2-CD1 3.64Å; L948-I1003 HydrophobicContact CD2-CG1 4.22Å; L948-I1003 HydrophobicContact CG-CD1 4.27Å; I950-I1003 HydrophobicContact CD1-CD1 4.44Å; I950-I1003 HydrophobicContact CG1-CD1 4.23Å; I950-I1003 HydrophobicContact CG1-CG1 4.43Å; F986-I1003 HydrophobicContact CB-CG2 4.25Å; A988-I1003 HydrophobicContact CB-CG1 4.21Å; V1000-I1003 HydrophobicContact CG2-CD1 4.41Å; V1000-I1003 HydrophobicContact CG2-CG1 3.96Å; I1003-L1011 HydrophobicContact CB-CB 4.13Å; I1003-L1011 HydrophobicContact CB-CD2 4.07Å; I1003-L1011 HydrophobicContact CD1-CD2 4.23Å; I1003-L1011 HydrophobicContact CG2-CD2 4.32Å; I1003-L1011 WeakPolarHBondContact O-CB 3.48Å; I1003-L1011 PolarHBondContact O-N 2.89Å
1004Y95.2Very high91.7Very high85 Ų8540.4 Ų40.433%0.33320%0.203SC..EExtended strand (participates in β ladder)trans-118.3152178.8-53.9-79.6000111F986 H987 N1002 N1009 D1010F986-Y1004 CarbonylContact C-O 3.57Å; F986-Y1004 VanDerWaalsContact CA-O 3.26Å; F986-Y1004 WeakPolarHBondContact CA-O 3.44Å; H987-Y1004 PolarHBondContact N-O 2.86Å; H987-Y1004 PolarHBondContact O-N 2.85Å; N1002-Y1004 HydrophobicContact CB-CE2 3.99Å; N1002-Y1004 WeakPolarHBondContact ND2-CE1 3.3Å; N1002-Y1004 PolarHBondContact ND2-OH 2.95Å; Y1004-N1009 VanDerWaalsContact CA-O 3.31Å; Y1004-N1009 WeakPolarHBondContact CA-O 3.46Å; Y1004-D1010 HydrophobicContact CD1-CB 4.21Å; Y1004-D1010 HydrophobicContact CE1-CB 4.05Å
1005D90Very high91.6Very high4 Ų439.7 Ų39.72%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-97.6173.9170.77315.2000113F974 R984 F986 H987 E1007 G1008 N1009F974-D1005 HydrophobicContact CZ-CB 4.47Å; R984-D1005 IonicContact CZ-OD2 3.65Å; R984-D1005 VanDerWaalsContact NH2-CG 3.35Å; R984-D1005 IonicContact NH2-OD2 2.66Å; R984-D1005 PolarHBondContact NH2-OD2 2.84Å; F986-D1005 HydrophobicContact CD1-CB 3.68Å; F986-D1005 HydrophobicContact CE1-CB 3.57Å; H987-D1005 PolarHBondContact CE1-O 3.36Å; D1005-E1007 PolarHBondContact O-N 3Å; D1005-E1007 WeakPolarHBondContact OD1-CA 3.34Å; D1005-E1007 WeakPolarHBondContact OD1-CB 3.48Å; D1005-E1007 PolarHBondContact OD1-N 3.49Å; D1005-G1008 PolarHBondContact O-N 2.92Å; D1005-G1008 PolarHBondContact OD1-N 3Å; D1005-N1009 PolarHBondContact N-O 3.17Å; D1005-N1009 WeakPolarHBondContact OD1-CB 3.33Å; D1005-N1009 PolarHBondContact OD1-N 2.8Å; D1005-N1009 PolarHBondContact OD1-ND2 2.72Å; D1005-N1009 WeakPolarHBondContact OD2-CB 3.38Å; D1005-N1009 PolarHBondContact OD2-ND2 2.82Å
1006D84.3Confident91.7Very high78 Ų7840.9 Ų40.942%0.41721%0.207SC..THydrogen-bonded Turntrans-57.7-13178.5-57.5-42.2000114.6Q985Q985-D1006 WeakPolarHBondContact CB-OD1 3.34Å; Q985-D1006 PolarHBondContact N-OD2 3.33Å; Q985-D1006 VanDerWaalsContact O-CG 3.31Å
1007E84.1Confident91.5Very high90 Ų9043.6 Ų43.642%0.42123%0.227SC..THydrogen-bonded Turntrans-106.63.9-179.5-73.8157.6-153.500111.6K981 D1005 N1009K981-E1007 IonicContact NZ-OE1 3.22Å; K981-E1007 PolarHBondContact NZ-OE1 2.82Å; D1005-E1007 PolarHBondContact O-N 3Å; D1005-E1007 WeakPolarHBondContact OD1-CA 3.34Å; D1005-E1007 WeakPolarHBondContact OD1-CB 3.48Å; D1005-E1007 PolarHBondContact OD1-N 3.49Å; E1007-N1009 WeakPolarHBondContact CB-ND2 3.38Å
1008G85.4Confident90.8Very high52 Ų5248.6 Ų48.654%0.53624%0.244SC..  trans80.69.7179.200000114.4D1005D1005-G1008 PolarHBondContact O-N 2.92Å; D1005-G1008 PolarHBondContact OD1-N 3Å
1009N89.6Confident90Very high79 Ų7949.6 Ų49.642%0.42225%0.249SC..  trans-71.2136.7178.1-56.9-84.1000110.6F974 Y1004 D1005 E1007F974-N1009 HydrophobicContact CE2-CB 4.01Å; F974-N1009 WeakPolarHBondContact CZ-O 3.37Å; Y1004-N1009 VanDerWaalsContact CA-O 3.31Å; Y1004-N1009 WeakPolarHBondContact CA-O 3.46Å; D1005-N1009 PolarHBondContact N-O 3.17Å; D1005-N1009 WeakPolarHBondContact OD1-CB 3.33Å; D1005-N1009 PolarHBondContact OD1-N 2.8Å; D1005-N1009 PolarHBondContact OD1-ND2 2.72Å; D1005-N1009 WeakPolarHBondContact OD2-CB 3.38Å; D1005-N1009 PolarHBondContact OD2-ND2 2.82Å; E1007-N1009 WeakPolarHBondContact CB-ND2 3.38Å
1010D92.8Very high89.1Confident44 Ų4454.3 Ų54.324%0.23527%0.266CS..BIsolated β-bridgetrans-94.9123.2-174.5172.2-15000111.3N1002 Y1004 L1012 S1013 F1014N1002-D1010 PolarHBondContact ND2-OD1 2.87Å; N1002-D1010 PolarHBondContact ND2-OD2 3.29Å; N1002-D1010 PolarHBondContact OD1-OD1 3.22Å; N1002-D1010 VanDerWaalsContact OD1-OD1 3.11Å; Y1004-D1010 HydrophobicContact CD1-CB 4.21Å; Y1004-D1010 HydrophobicContact CE1-CB 4.05Å; D1010-L1012 WeakPolarHBondContact OD1-CA 3.45Å; D1010-L1012 WeakPolarHBondContact OD1-CB 3.41Å; D1010-L1012 PolarHBondContact OD1-N 3.13Å; D1010-S1013 VanDerWaalsContact CG-OG 3.24Å; D1010-S1013 PolarHBondContact OD1-N 2.98Å; D1010-S1013 WeakPolarHBondContact OD2-CB 3.32Å; D1010-S1013 PolarHBondContact OD2-OG 3.46Å; D1010-F1014 WeakPolarHBondContact O-CB 3.42Å; D1010-F1014 PolarHBondContact O-N 3.14Å
1011L93.4Very high88.6Confident1 Ų155.2 Ų55.21%0.00527%0.273CS..Hα-helixtrans-74.5-41.9178.2-179.255.1000113.4I950 V970 F974 F975 I1003 F1014 V1015I950-L1011 HydrophobicContact CD1-CD2 4Å; I950-L1011 HydrophobicContact CD1-CG 4.1Å; V970-L1011 HydrophobicContact CG1-CD1 3.78Å; F974-L1011 HydrophobicContact CB-CD1 4.2Å; F974-L1011 HydrophobicContact CD1-CB 4.39Å; F974-L1011 HydrophobicContact CD1-CD1 3.83Å; F974-L1011 HydrophobicContact CD1-CG 4.47Å; F974-L1011 HydrophobicContact CD2-CD1 4.07Å; F974-L1011 HydrophobicContact CE1-CB 3.88Å; F974-L1011 HydrophobicContact CE1-CD1 4.21Å; F974-L1011 HydrophobicContact CE1-CD2 4.44Å; F974-L1011 HydrophobicContact CE1-CG 4.4Å; F974-L1011 HydrophobicContact CE2-CB 4.04Å; F974-L1011 HydrophobicContact CE2-CD1 4.42Å; F974-L1011 HydrophobicContact CG-CD1 3.76Å; F974-L1011 HydrophobicContact CZ-CB 3.69Å; F974-L1011 HydrophobicContact CZ-CD1 4.49Å; F975-L1011 HydrophobicContact CE1-CD2 4.2Å; F975-L1011 HydrophobicContact CE2-CD2 4.46Å; F975-L1011 HydrophobicContact CZ-CD2 3.6Å; I1003-L1011 HydrophobicContact CB-CB 4.13Å; I1003-L1011 HydrophobicContact CB-CD2 4.07Å; I1003-L1011 HydrophobicContact CD1-CD2 4.23Å; I1003-L1011 HydrophobicContact CG2-CD2 4.32Å; I1003-L1011 WeakPolarHBondContact O-CB 3.48Å; I1003-L1011 PolarHBondContact O-N 2.89Å; L1011-F1014 HydrophobicContact CD1-CD1 4.4Å; L1011-F1014 WeakPolarHBondContact O-CB 3.41Å; L1011-F1014 PolarHBondContact O-N 3.26Å; L1011-F1014 VanDerWaalsContact O-N 3.16Å; L1011-V1015 HydrophobicContact CD1-CG2 3.91Å; L1011-V1015 HydrophobicContact CG-CG2 4.42Å; L1011-V1015 WeakPolarHBondContact O-CB 3.5Å; L1011-V1015 VanDerWaalsContact O-CG2 3.28Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.22Å; L1011-V1015 PolarHBondContact O-N 3.35Å
1012L93.4Very high88.3Confident18 Ų1850.1 Ų50.19%0.09426%0.256CS..Hα-helixtrans-59.5-49.3177.8176.765000110.5I950 L953 N1002 D1010 F1014 V1015 I1016I950-L1012 HydrophobicContact CG2-CD1 4.22Å; L953-L1012 HydrophobicContact CD1-CD1 3.89Å; L953-L1012 HydrophobicContact CD2-CD1 3.88Å; L953-L1012 HydrophobicContact CG-CD1 4.31Å; N1002-L1012 HydrophobicContact CB-CB 4.5Å; N1002-L1012 WeakPolarHBondContact OD1-CB 3.4Å; N1002-L1012 PolarHBondContact OD1-N 2.87Å; D1010-L1012 WeakPolarHBondContact OD1-CA 3.45Å; D1010-L1012 WeakPolarHBondContact OD1-CB 3.41Å; D1010-L1012 PolarHBondContact OD1-N 3.13Å; L1012-F1014 VanDerWaalsContact C-N 3.34Å; L1012-F1014 PolarHBondContact O-N 2.85Å; L1012-V1015 PolarHBondContact O-N 3.09Å; L1012-I1016 HydrophobicContact CD1-CD1 3.66Å; L1012-I1016 HydrophobicContact CD1-CG1 4.2Å; L1012-I1016 HydrophobicContact CG-CD1 3.91Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; L1012-I1016 PolarHBondContact O-N 3.32Å
1013S91.5Very high88.1Confident51 Ų5152.9 Ų52.936%0.35727%0.269SS..Hα-helixtrans-65.5-34.3173.7-66.20000112.1D1010 V1015 N1017D1010-S1013 VanDerWaalsContact CG-OG 3.24Å; D1010-S1013 PolarHBondContact OD1-N 2.98Å; D1010-S1013 WeakPolarHBondContact OD2-CB 3.32Å; D1010-S1013 PolarHBondContact OD2-OG 3.46Å; S1013-V1015 VanDerWaalsContact C-N 3.28Å; S1013-V1015 PolarHBondContact O-N 3.37Å; S1013-N1017 WeakPolarHBondContact O-CB 3.38Å; S1013-N1017 PolarHBondContact O-N 3.22Å; S1013-N1017 PolarHBondContact O-ND2 2.88Å
1014F90Very high87.8Confident17 Ų1753.6 Ų53.68%0.07527%0.272CS..Hα-helixtrans-61.6-38.2173.1178.1-81.7000112.1L969 V970 D973 F974 D1010 L1011 L1012 R1018L969-F1014 HydrophobicContact CD2-CE1 3.68Å; L969-F1014 HydrophobicContact CD2-CZ 3.55Å; V970-F1014 HydrophobicContact CG2-CD1 4.25Å; V970-F1014 HydrophobicContact CG2-CE1 3.99Å; D973-F1014 HydrophobicContact CB-CZ 3.91Å; D973-F1014 WeakPolarHBondContact O-CE2 3.27Å; F974-F1014 HydrophobicContact CB-CD1 4.24Å; F974-F1014 HydrophobicContact CB-CD2 4.42Å; F974-F1014 HydrophobicContact CB-CE1 4.15Å; F974-F1014 HydrophobicContact CB-CE2 4.3Å; F974-F1014 HydrophobicContact CB-CG 4.4Å; F974-F1014 HydrophobicContact CB-CZ 4.17Å; F974-F1014 HydrophobicContact CD2-CB 3.91Å; F974-F1014 HydrophobicContact CD2-CD1 4.39Å; F974-F1014 AromaticContact CD2-CD2 3.86Å; F974-F1014 HydrophobicContact CD2-CD2 3.86Å; F974-F1014 HydrophobicContact CD2-CE2 4.48Å; F974-F1014 AromaticContact CD2-CG 3.81Å; F974-F1014 HydrophobicContact CD2-CG 3.81Å; F974-F1014 HydrophobicContact CE2-CB 4.3Å; D1010-F1014 WeakPolarHBondContact O-CB 3.42Å; D1010-F1014 PolarHBondContact O-N 3.14Å; L1011-F1014 HydrophobicContact CD1-CD1 4.4Å; L1011-F1014 WeakPolarHBondContact O-CB 3.41Å; L1011-F1014 PolarHBondContact O-N 3.26Å; L1011-F1014 VanDerWaalsContact O-N 3.16Å; L1012-F1014 VanDerWaalsContact C-N 3.34Å; L1012-F1014 PolarHBondContact O-N 2.85Å; F1014-R1018 VanDerWaalsContact CD2-NH1 3.29Å; F1014-R1018 WeakPolarHBondContact O-CB 3.38Å; F1014-R1018 WeakPolarHBondContact O-CD 3.06Å; F1014-R1018 WeakPolarHBondContact O-CG 3.25Å; F1014-R1018 PolarHBondContact O-NH1 2.72Å
1015V90.3Very high87.6Confident0 Ų058.2 Ų58.20%030%0.297CS..Hα-helixtrans-77.7-53.4-177.9169.20000111.7P839 L953 W962 V970 L1011 L1012 S1013 N1017 R1018 F1019P839-V1015 HydrophobicContact CB-CG1 3.96Å; P839-V1015 HydrophobicContact CB-CG2 3.78Å; L953-V1015 HydrophobicContact CD1-CG1 4.41Å; L953-V1015 HydrophobicContact CD2-CG1 4.24Å; W962-V1015 HydrophobicContact CH2-CG1 3.76Å; W962-V1015 HydrophobicContact CZ3-CG1 4.11Å; V970-V1015 HydrophobicContact CG2-CG2 3.91Å; L1011-V1015 HydrophobicContact CD1-CG2 3.91Å; L1011-V1015 HydrophobicContact CG-CG2 4.42Å; L1011-V1015 WeakPolarHBondContact O-CB 3.5Å; L1011-V1015 VanDerWaalsContact O-CG2 3.28Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.22Å; L1011-V1015 PolarHBondContact O-N 3.35Å; L1012-V1015 PolarHBondContact O-N 3.09Å; S1013-V1015 VanDerWaalsContact C-N 3.28Å; S1013-V1015 PolarHBondContact O-N 3.37Å; V1015-N1017 VanDerWaalsContact C-N 3.29Å; V1015-N1017 PolarHBondContact O-N 3.42Å; V1015-R1018 PolarHBondContact O-N 3.49Å; V1015-F1019 HydrophobicContact CB-CD2 4.33Å; V1015-F1019 HydrophobicContact CG1-CD2 4Å; V1015-F1019 HydrophobicContact CG2-CD2 4.49Å; V1015-F1019 WeakPolarHBondContact O-CD2 3.32Å; V1015-F1019 PolarHBondContact O-N 3.31Å
1016I87.4Confident87.6Confident76 Ų7661.2 Ų61.239%0.3932%0.317SS..Hα-helixtrans-58.9-41.4-177.9-69.2174.9000111.1L953 L1012 R1018L953-I1016 HydrophobicContact CD1-CG1 4.5Å; L1012-I1016 HydrophobicContact CD1-CD1 3.66Å; L1012-I1016 HydrophobicContact CD1-CG1 4.2Å; L1012-I1016 HydrophobicContact CG-CD1 3.91Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; L1012-I1016 PolarHBondContact O-N 3.32Å; I1016-R1018 PolarHBondContact O-N 3.46Å; I1016-R1018 VanDerWaalsContact O-N 3.12Å
1017N83.3Confident88.1Confident126 Ų12657.5 Ų57.567%0.67430%0.298SS*.THydrogen-bonded Turntrans-743.6178-69.4-66.8000114.6S1013 V1015S1013-N1017 WeakPolarHBondContact O-CB 3.38Å; S1013-N1017 PolarHBondContact O-N 3.22Å; S1013-N1017 PolarHBondContact O-ND2 2.88Å; V1015-N1017 VanDerWaalsContact C-N 3.29Å; V1015-N1017 PolarHBondContact O-N 3.42Å
1018R78.8Confident88.5Confident116 Ų11655.1 Ų55.144%0.43829%0.287SS..THydrogen-bonded Turntrans-134.2-22.4-177.4-70.4-178179.173.29.1115F1014 V1015 I1016F1014-R1018 VanDerWaalsContact CD2-NH1 3.29Å; F1014-R1018 WeakPolarHBondContact O-CB 3.38Å; F1014-R1018 WeakPolarHBondContact O-CD 3.06Å; F1014-R1018 WeakPolarHBondContact O-CG 3.25Å; F1014-R1018 PolarHBondContact O-NH1 2.72Å; V1015-R1018 PolarHBondContact O-N 3.49Å; I1016-R1018 PolarHBondContact O-N 3.46Å; I1016-R1018 VanDerWaalsContact O-N 3.12Å
1019F81.3Confident89Confident21 Ų2158.4 Ų58.49%0.09229%0.291CS..SBendtrans-134.4140.6-173.9-52.5-70.8000111.8W962 A966 L969 V970 V1015 S1021W962-F1019 HydrophobicContact CZ3-CB 4.14Å; A966-F1019 HydrophobicContact CB-CD1 3.66Å; A966-F1019 HydrophobicContact CB-CD2 4.42Å; A966-F1019 HydrophobicContact CB-CE1 3.55Å; A966-F1019 HydrophobicContact CB-CE2 4.33Å; A966-F1019 HydrophobicContact CB-CG 4.1Å; A966-F1019 HydrophobicContact CB-CZ 3.89Å; L969-F1019 HydrophobicContact CB-CZ 4.03Å; L969-F1019 HydrophobicContact CD1-CE1 4.47Å; L969-F1019 HydrophobicContact CD1-CZ 4.18Å; L969-F1019 HydrophobicContact CD2-CZ 3.93Å; L969-F1019 HydrophobicContact CG-CZ 4.26Å; V970-F1019 HydrophobicContact CG2-CE2 3.93Å; V1015-F1019 HydrophobicContact CB-CD2 4.33Å; V1015-F1019 HydrophobicContact CG1-CD2 4Å; V1015-F1019 HydrophobicContact CG2-CD2 4.49Å; V1015-F1019 WeakPolarHBondContact O-CD2 3.32Å; V1015-F1019 PolarHBondContact O-N 3.31Å; F1019-S1021 WeakPolarHBondContact O-CB 3.18Å; F1019-S1021 PolarHBondContact O-N 3.44Å; F1019-S1021 PolarHBondContact O-OG 3.5Å
1020R77.6Confident89.2Confident102 Ų10257.3 Ų57.339%0.38528%0.283SS..  trans-56.3101.5167.5-76.4-172.6-163.7-139.36.1110.8H576 K762 E956H576-R1020 PolarHBondContact CD2-NH1 3.01Å; H576-R1020 PolarHBondContact NE2-NH2 2.83Å; K762-R1020 VanDerWaalsContact CE-NH1 3.35Å; E956-R1020 HydrophobicContact CB-CB 4.17Å; E956-R1020 HydrophobicContact CG-CB 4.04Å; E956-R1020 PolarHBondContact N-O 2.93Å; E956-R1020 WeakPolarHBondContact OE1-CA 3.07Å; E956-R1020 VanDerWaalsContact OE1-CB 3.31Å; E956-R1020 WeakPolarHBondContact OE1-CB 3.16Å; E956-R1020 WeakPolarHBondContact OE2-CB 3.39Å; E956-R1020 WeakPolarHBondContact OE2-CD 3.29Å; E956-R1020 WeakPolarHBondContact OE2-CG 3.45Å
1021S86.6Confident89.3Confident19 Ų1955.3 Ų55.313%0.13327%0.272CS..EExtended strand (participates in β ladder)trans-154.4153.4-169.455.70000110.9Q954 E956 F1019Q954-S1021 CarbonylContact O-C 3.5Å; Q954-S1021 WeakPolarHBondContact O-CA 3.48Å; E956-S1021 PolarHBondContact OE1-N 3.27Å; F1019-S1021 WeakPolarHBondContact O-CB 3.18Å; F1019-S1021 PolarHBondContact O-N 3.44Å; F1019-S1021 PolarHBondContact O-OG 3.5Å
1022H88.1Confident89.3Confident61 Ų6158.2 Ų58.228%0.28229%0.287SS..EExtended strand (participates in β ladder)trans-132.7139.6-177170.168.7000108.8R765 Q954R765-H1022 VanDerWaalsContact CD-NE2 3.33Å; R765-H1022 WeakPolarHBondContact CD-NE2 3.37Å; R765-H1022 PolarHBondContact NE-CD2 3.14Å; R765-H1022 PolarHBondContact NE-NE2 3.4Å; Q954-H1022 HydrophobicContact CG-CB 4.49Å; Q954-H1022 PolarHBondContact N-O 2.71Å; Q954-H1022 PolarHBondContact O-N 2.81Å
1023Q90.5Very high89.2Confident70 Ų7059.3 Ų59.333%0.32730%0.299SS..EExtended strand (participates in β ladder)trans-104.2115.5173.1-171.9165.317.800108.7E1025Q1023-E1025 PolarHBondContact O-N 3.38Å
1024D90.4Very high89.3Confident15 Ų1557.2 Ų57.28%0.0828%0.284CS..  trans-88.198.1178.9-172.2-29.1000109G952 Q954 C1026 C1027 K1030G952-D1024 PolarHBondContact O-N 2.74Å; Q954-D1024 VanDerWaalsContact NE2-CB 3.27Å; D1024-C1026 PolarHBondContact O-N 3.42Å; D1024-C1026 PolarHBondContact OD1-N 2.86Å; D1024-C1027 HydrophobicContact CB-CB 4.37Å; D1024-C1027 WeakPolarHBondContact O-CB 3.47Å; D1024-C1027 PolarHBondContact O-N 2.82Å; D1024-C1027 PolarHBondContact OD1-N 3.13Å; D1024-K1030 IonicContact OD1-NZ 3.01Å; D1024-K1030 IonicContact OD2-NZ 2.98Å; D1024-K1030 PolarHBondContact OD2-NZ 3.33Å
1025E90.1Very high89.4Confident182 Ų18258.1 Ų58.185%0.8529%0.291SS*.THydrogen-bonded Turntrans-61.6-27.4-177.6-60-175.7162.200112.3Q1023 C1027Q1023-E1025 PolarHBondContact O-N 3.38Å; E1025-C1027 PolarHBondContact O-N 3.21Å
1026C90.8Very high89.4Confident67 Ų6765.5 Ų65.545%0.45333%0.327SS..THydrogen-bonded Turntrans-78.8-2.4176.5-61.10000113.6D1024 Q1028 L1029 K1030D1024-C1026 PolarHBondContact O-N 3.42Å; D1024-C1026 PolarHBondContact OD1-N 2.86Å; C1026-Q1028 VanDerWaalsContact C-N 3.27Å; C1026-Q1028 PolarHBondContact O-N 2.86Å; C1026-L1029 PolarHBondContact O-N 2.8Å; C1026-L1029 VanDerWaalsContact O-N 3.09Å; C1026-K1030 WeakPolarHBondContact O-CG 3.38Å; C1026-K1030 PolarHBondContact O-N 2.78Å; C1026-K1030 VanDerWaalsContact O-N 3.1Å
1027C94.1Very high89.5Confident1 Ų164.8 Ų64.81%0.00733%0.329CS..Hα-helixtrans-56.6-34.8-175.9-175.10000114L951 G952 D1024 E1025 L1031L951-C1027 HydrophobicContact CD1-CB 4.16Å; L951-C1027 HydrophobicContact CG-CB 4.46Å; G952-C1027 VanDerWaalsContact CA-CB 3.47Å; G952-C1027 PolarHBondContact N-SG 2.75Å; G952-C1027 VanDerWaalsContact N-SG 3.43Å; D1024-C1027 HydrophobicContact CB-CB 4.37Å; D1024-C1027 WeakPolarHBondContact O-CB 3.47Å; D1024-C1027 PolarHBondContact O-N 2.82Å; D1024-C1027 PolarHBondContact OD1-N 3.13Å; E1025-C1027 PolarHBondContact O-N 3.21Å; C1027-L1031 VanDerWaalsContact O-CG 3.32Å; C1027-L1031 WeakPolarHBondContact O-CG 3.44Å; C1027-L1031 PolarHBondContact O-N 3.46Å; C1027-L1031 VanDerWaalsContact O-N 3.14Å
1028Q94Very high89.8Confident40 Ų4059.9 Ų59.919%0.18730%0.304CS..Hα-helixtrans-66.7-47.8175.8-169.558.666.200110.8L951 S992 C1026 K1030 L1031 D1032L951-Q1028 HydrophobicContact CD2-CB 4.22Å; S992-Q1028 PolarHBondContact OG-NE2 3.24Å; S992-Q1028 PolarHBondContact OG-OE1 3.06Å; C1026-Q1028 VanDerWaalsContact C-N 3.27Å; C1026-Q1028 PolarHBondContact O-N 2.86Å; Q1028-K1030 PolarHBondContact O-N 3.01Å; Q1028-L1031 PolarHBondContact O-N 3.4Å; Q1028-D1032 PolarHBondContact NE2-OD1 2.65Å; Q1028-D1032 PolarHBondContact O-N 2.78Å
1029L94.4Very high90.2Very high120 Ų12058.7 Ų58.763%0.62830%0.302SS*.Hα-helixtrans-58.9-35.6179.3-59.2174.8000112.3C1026 A1033C1026-L1029 PolarHBondContact O-N 2.8Å; C1026-L1029 VanDerWaalsContact O-N 3.09Å; L1029-A1033 VanDerWaalsContact O-CB 3.27Å; L1029-A1033 WeakPolarHBondContact O-CB 3.36Å; L1029-A1033 PolarHBondContact O-N 2.87Å
1030K94.4Very high90.4Very high57 Ų5762.6 Ų62.625%0.24832%0.324CS..Hα-helixtrans-68-42.9174.4-64174.1-179.1-177.90112.3F798 D800 D1024 C1026 Q1028 A1033 M1034F798-K1030 WeakPolarHBondContact O-CB 3.43Å; F798-K1030 WeakPolarHBondContact O-CD 3.49Å; D800-K1030 HydrophobicContact CB-CD 4.39Å; D800-K1030 WeakPolarHBondContact OD2-CE 3.28Å; D800-K1030 IonicContact OD2-NZ 3.61Å; D800-K1030 PolarHBondContact OD2-NZ 3.36Å; D1024-K1030 IonicContact OD1-NZ 3.01Å; D1024-K1030 IonicContact OD2-NZ 2.98Å; D1024-K1030 PolarHBondContact OD2-NZ 3.33Å; C1026-K1030 WeakPolarHBondContact O-CG 3.38Å; C1026-K1030 PolarHBondContact O-N 2.78Å; C1026-K1030 VanDerWaalsContact O-N 3.1Å; Q1028-K1030 PolarHBondContact O-N 3.01Å; K1030-A1033 PolarHBondContact O-N 2.85Å; K1030-M1034 WeakPolarHBondContact O-CB 3.1Å; K1030-M1034 PolarHBondContact O-N 2.86Å
1031L94.3Very high90.3Very high1 Ų158.8 Ų58.81%0.00531%0.313CS..Hα-helixtrans-67-38.4175.9-70.9166.6000111.7L951 I994 F999 C1027 Q1028 M1034 V1035L951-L1031 HydrophobicContact CD1-CD1 3.8Å; I994-L1031 HydrophobicContact CD1-CB 3.9Å; F999-L1031 HydrophobicContact CD1-CD1 4.01Å; F999-L1031 HydrophobicContact CD2-CD1 4.43Å; F999-L1031 HydrophobicContact CE1-CD1 3.65Å; F999-L1031 HydrophobicContact CE2-CD1 4.12Å; F999-L1031 HydrophobicContact CG-CD1 4.38Å; F999-L1031 HydrophobicContact CZ-CD1 3.71Å; F999-L1031 HydrophobicContact CZ-CD2 4.07Å; C1027-L1031 VanDerWaalsContact O-CG 3.32Å; C1027-L1031 WeakPolarHBondContact O-CG 3.44Å; C1027-L1031 PolarHBondContact O-N 3.46Å; C1027-L1031 VanDerWaalsContact O-N 3.14Å; Q1028-L1031 PolarHBondContact O-N 3.4Å; L1031-M1034 HydrophobicContact CD2-CE 3.9Å; L1031-M1034 WeakPolarHBondContact O-CB 3.06Å; L1031-M1034 PolarHBondContact O-N 3.42Å; L1031-V1035 WeakPolarHBondContact O-CG2 3.35Å; L1031-V1035 PolarHBondContact O-N 3.09Å
1032D93.7Very high89.5Confident62 Ų6261.9 Ų61.933%0.33233%0.332SS..Hα-helixtrans-65.8-42.9175.1-59.4-24.5000110.7Q1028 V1035 M1036Q1028-D1032 PolarHBondContact NE2-OD1 2.65Å; Q1028-D1032 PolarHBondContact O-N 2.78Å; D1032-V1035 PolarHBondContact O-N 2.89Å; D1032-M1036 WeakPolarHBondContact O-CG 3.25Å; D1032-M1036 PolarHBondContact O-N 3.14Å
1033A92.5Very high88.3Confident41 Ų4165.4 Ų65.434%0.33934%0.344SS..Hα-helixtrans-62.4-43173.800000112.4L1029 K1030 V1035 M1036 S1037L1029-A1033 VanDerWaalsContact O-CB 3.27Å; L1029-A1033 WeakPolarHBondContact O-CB 3.36Å; L1029-A1033 PolarHBondContact O-N 2.87Å; K1030-A1033 PolarHBondContact O-N 2.85Å; A1033-V1035 VanDerWaalsContact C-N 3.32Å; A1033-V1035 PolarHBondContact O-N 2.94Å; A1033-M1036 PolarHBondContact O-N 3.05Å; A1033-S1037 WeakPolarHBondContact O-CB 3.4Å; A1033-S1037 PolarHBondContact O-N 3.09Å; A1033-S1037 PolarHBondContact O-OG 3.45Å
1034M92.1Very high86.2Confident8 Ų871.5 Ų71.54%0.03938%0.375CS..Hα-helixtrans-56.3-46.4172.5176.8-1656700111.1M795 M812 I994 K1030 L1031 S1037 S1038M795-M1034 HydrophobicContact CG-CG 4.21Å; M795-M1034 HydrophobicContact CG-SD 3.6Å; M795-M1034 HydrophobicContact SD-CB 4.21Å; M795-M1034 HydrophobicContact SD-CG 3.85Å; M795-M1034 HydrophobicContact SD-SD 3.73Å; M812-M1034 HydrophobicContact CB-CG 4.19Å; M812-M1034 HydrophobicContact CE-CE 4.06Å; M812-M1034 HydrophobicContact SD-CE 3.91Å; I994-M1034 HydrophobicContact CG2-CE 4.3Å; K1030-M1034 WeakPolarHBondContact O-CB 3.1Å; K1030-M1034 PolarHBondContact O-N 2.86Å; L1031-M1034 HydrophobicContact CD2-CE 3.9Å; L1031-M1034 WeakPolarHBondContact O-CB 3.06Å; L1031-M1034 PolarHBondContact O-N 3.42Å; M1034-S1037 WeakPolarHBondContact CA-OG 3.44Å; M1034-S1037 PolarHBondContact O-N 3.26Å; M1034-S1037 PolarHBondContact O-OG 2.96Å; M1034-S1038 PolarHBondContact O-N 3.01Å
1035V92.4Very high86Confident36 Ų3674.4 Ų74.422%0.21839%0.39CS..Hα-helixtrans-63.3-45.3177.2163.70000111.9M812 V817 I994 L1031 D1032 A1033 S1037 S1038M812-V1035 HydrophobicContact SD-CG2 4.12Å; V817-V1035 HydrophobicContact CG1-CG1 3.61Å; V817-V1035 HydrophobicContact CG1-CG2 4.38Å; V817-V1035 HydrophobicContact CG2-CG1 4.3Å; I994-V1035 HydrophobicContact CD1-CG2 4.15Å; I994-V1035 HydrophobicContact CG2-CG2 3.62Å; L1031-V1035 WeakPolarHBondContact O-CG2 3.35Å; L1031-V1035 PolarHBondContact O-N 3.09Å; D1032-V1035 PolarHBondContact O-N 2.89Å; A1033-V1035 VanDerWaalsContact C-N 3.32Å; A1033-V1035 PolarHBondContact O-N 2.94Å; V1035-S1037 VanDerWaalsContact C-N 3.26Å; V1035-S1037 PolarHBondContact O-N 2.97Å; V1035-S1038 VanDerWaalsContact O-CB 3.25Å; V1035-S1038 WeakPolarHBondContact O-CB 3.14Å; V1035-S1038 PolarHBondContact O-N 3.28Å; V1035-S1038 PolarHBondContact O-OG 2.9Å
1036M91.3Very high85.8Confident154 Ų15468.7 Ų68.776%0.75937%0.366SS*.Hα-helixtrans-64-29.9176.2-70.3-174-65.800112.8D1032 A1033 S1038D1032-M1036 WeakPolarHBondContact O-CG 3.25Å; D1032-M1036 PolarHBondContact O-N 3.14Å; A1033-M1036 PolarHBondContact O-N 3.05Å; M1036-S1038 VanDerWaalsContact C-N 3.26Å; M1036-S1038 PolarHBondContact O-N 2.81Å
1037S89.1Confident85.5Confident62 Ų6268.8 Ų68.843%0.43436%0.361SS..THydrogen-bonded Turntrans-80.94.5176.875.60000114.9A1033 M1034 V1035A1033-S1037 WeakPolarHBondContact O-CB 3.4Å; A1033-S1037 PolarHBondContact O-N 3.09Å; A1033-S1037 PolarHBondContact O-OG 3.45Å; M1034-S1037 WeakPolarHBondContact CA-OG 3.44Å; M1034-S1037 PolarHBondContact O-N 3.26Å; M1034-S1037 PolarHBondContact O-OG 2.96Å; V1035-S1037 VanDerWaalsContact C-N 3.26Å; V1035-S1037 PolarHBondContact O-N 2.97Å
1038S89.7Confident85Confident22 Ų2272.8 Ų72.815%0.15438%0.382CS..  trans-64.8135.4-173.1570000113.6M812 M1034 V1035 M1036M812-S1038 VanDerWaalsContact O-CA 3.25Å; M812-S1038 WeakPolarHBondContact O-CA 3.29Å; M812-S1038 WeakPolarHBondContact O-CB 3.47Å; M1034-S1038 PolarHBondContact O-N 3.01Å; V1035-S1038 VanDerWaalsContact O-CB 3.25Å; V1035-S1038 WeakPolarHBondContact O-CB 3.14Å; V1035-S1038 PolarHBondContact O-N 3.28Å; V1035-S1038 PolarHBondContact O-OG 2.9Å; M1036-S1038 VanDerWaalsContact C-N 3.26Å; M1036-S1038 PolarHBondContact O-N 2.81Å
1039K87.4Confident84.4Confident92 Ų9274.8 Ų74.840%0.439%0.394SS..BIsolated β-bridgetrans-111.4161.9-175.8-55.6-169.1-171.6-176.90110.8E782 V811 M812 W813 R814E782-K1039 IonicContact OE1-NZ 2.72Å; E782-K1039 PolarHBondContact OE1-NZ 3.34Å; V811-K1039 HydrophobicContact CG1-CB 3.98Å; V811-K1039 HydrophobicContact CG1-CD 3.89Å; V811-K1039 HydrophobicContact CG1-CG 3.71Å; M812-K1039 PolarHBondContact O-N 2.94Å; W813-K1039 CarbonylContact C-O 3.44Å; W813-K1039 VanDerWaalsContact CA-O 3.24Å; W813-K1039 WeakPolarHBondContact CA-O 3.22Å; R814-K1039 PolarHBondContact N-O 3.22Å
1040D84.1Confident83.7Confident102 Ų10271.8 Ų71.855%0.54538%0.378SS..  trans-67.1150.3172.7-61.5-57.6000110.9R814 P1042R814-D1040 WeakPolarHBondContact CD-OD1 3.16Å; R814-D1040 IonicContact CZ-OD1 2.67Å; R814-D1040 IonicContact CZ-OD2 3.04Å; R814-D1040 VanDerWaalsContact CZ-OD2 3.26Å; R814-D1040 IonicContact NE-OD1 2.8Å; R814-D1040 IonicContact NH1-OD1 3.17Å; R814-D1040 PolarHBondContact NH1-OD1 3.12Å; R814-D1040 IonicContact NH1-OD2 2.69Å; R814-D1040 PolarHBondContact NH1-OD2 3.04Å; R814-D1040 IonicContact NH2-OD2 2.95Å; D1040-P1042 WeakPolarHBondContact O-CD 3.27Å
1041C77.1Confident83Confident22 Ų2272.9 Ų72.915%0.14939%0.388CS..  trans-76.3122.1176.3-175.90000109.6W813 Y1043 M1044W813-C1041 HydrophobicContact CB-CB 4.37Å; W813-C1041 HydrophobicContact CD2-CB 3.99Å; W813-C1041 HydrophobicContact CE3-CB 4.48Å; W813-C1041 HydrophobicContact CG-CB 3.94Å; C1041-Y1043 PolarHBondContact O-N 3.07Å; C1041-M1044 HydrophobicContact CB-CG 4.16Å; C1041-M1044 HydrophobicContact CB-SD 4.4Å
1042P68.4Low82.1Confident84 Ų8478.4 Ų78.455%0.54542%0.417SS..THydrogen-bonded Turntrans-77.414.3-177.434-37.4000113.8D1040D1040-P1042 WeakPolarHBondContact O-CD 3.27Å
1043Y63.5Low81.1Confident136 Ų13679.8 Ų79.853%0.53342%0.424SS..THydrogen-bonded Turntrans-132.322.3-176.1-55-61.1000112.6C1041C1041-Y1043 PolarHBondContact O-N 3.07Å
1044M46Very low80.1Confident198 Ų19883.3 Ų83.398%0.97543%0.432SS*.  trans-97.50167.6-76.7-173.9171.500110.7D815 C1041D815-M1044 HydrophobicContact CB-CE 4.04Å; D815-M1044 WeakPolarHBondContact OD2-CE 3.41Å; C1041-M1044 HydrophobicContact CB-CG 4.16Å; C1041-M1044 HydrophobicContact CB-SD 4.4Å

Retrieved 1,044 of 1,044 residues in 556.1 ms (Link to these results)

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