F6TTN4_MACMU Loading...

Tripartite motif-containing protein 46

AlphaFold DB , UniProt , Accession F6TTN4, Species MACMU (Macaca mulatta, Rhesus macaque), Gene TRIM46, Length 759 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
1M46.5Very low49.7Very low225 Ų225118.9 Ų118.9100%1.10863%0.632SS**  0-26.30-69.2-167.5-64.300112.8
2A43.3Very low50.4Low71 Ų71115 Ų11559%0.58762%0.622SS**Hα-helixtrans-74-30.1177.200000115.2G4A2-G4 VanDerWaalsContact C-N 3.33Å; A2-G4 PolarHBondContact O-N 3.38Å
3E43.5Very low51.2Low176 Ų176113.6 Ų113.682%0.82261%0.612SS**Hα-helixtrans-73.4-18.5-176.8-65.3-176.2158.500114.7
4G44.1Very low51.7Low43 Ų43112.2 Ų112.244%0.44360%0.601SS.*Hα-helixtrans-81.1-29.2178.200000113.8A2 Q8A2-G4 VanDerWaalsContact C-N 3.33Å; A2-G4 PolarHBondContact O-N 3.38Å; G4-Q8 PolarHBondContact O-N 3.25Å
5E48.3Very low52Low134 Ų134110.8 Ų110.863%0.62659%0.594SS**Hα-helixtrans-76.5-35.1178.7-67.4-178.2153.800111.5Q8 T9E5-Q8 PolarHBondContact O-N 3.23Å; E5-T9 PolarHBondContact O-N 3.06Å; E5-T9 PolarHBondContact O-OG1 2.93Å
6D48.9Very low52.2Low115 Ų115106.4 Ų106.462%0.61558%0.578SS**Hα-helixtrans-67.3-35.5174-79.1-17000112.3T9 F10D6-T9 VanDerWaalsContact CA-OG1 3.27Å; D6-T9 WeakPolarHBondContact CA-OG1 3.49Å; D6-T9 PolarHBondContact O-OG1 3.23Å; D6-T9 VanDerWaalsContact O-OG1 3.05Å; D6-F10 VanDerWaalsContact O-CB 3.28Å; D6-F10 WeakPolarHBondContact O-CB 3.31Å; D6-F10 PolarHBondContact O-N 3.42Å
7M48.1Very low52.4Low128 Ų128105.8 Ų105.863%0.63157%0.573SS**Hα-helixtrans-69.9-42.5176.4-167.568.969.700111.7F10 T11M7-F10 PolarHBondContact O-N 3.34Å; M7-T11 PolarHBondContact O-N 2.94Å; M7-T11 PolarHBondContact O-OG1 3.25Å
8Q52.4Low52.7Low141 Ų141104.6 Ų104.666%0.65957%0.57SS**Hα-helixtrans-66.1-40.6177.2-88.8175.4-19.900112.5G4 E5 T11 S12G4-Q8 PolarHBondContact O-N 3.25Å; E5-Q8 PolarHBondContact O-N 3.23Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.5Å; Q8-T11 PolarHBondContact O-OG1 3.47Å; Q8-S12 WeakPolarHBondContact O-CB 3.37Å; Q8-S12 PolarHBondContact O-N 3.4Å
9T57.3Low53.3Low74 Ų74107.4 Ų107.445%0.45457%0.571SS.*Hα-helixtrans-66.3-38.9173.339.70000111.7E5 D6 S12 I13E5-T9 PolarHBondContact O-N 3.06Å; E5-T9 PolarHBondContact O-OG1 2.93Å; D6-T9 VanDerWaalsContact CA-OG1 3.27Å; D6-T9 WeakPolarHBondContact CA-OG1 3.49Å; D6-T9 PolarHBondContact O-OG1 3.23Å; D6-T9 VanDerWaalsContact O-OG1 3.05Å; T9-S12 PolarHBondContact O-N 3.34Å; T9-I13 WeakPolarHBondContact O-CB 3.31Å; T9-I13 WeakPolarHBondContact O-CD1 3.49Å; T9-I13 WeakPolarHBondContact O-CG1 3.32Å; T9-I13 PolarHBondContact O-N 2.85Å
10F56Low53.6Low127 Ų127106.9 Ų106.956%0.55757%0.567SS**Hα-helixtrans-64.2-43.8174.8-167.9-93.3000112.9D6 M7 S12 I13 M14D6-F10 VanDerWaalsContact O-CB 3.28Å; D6-F10 WeakPolarHBondContact O-CB 3.31Å; D6-F10 PolarHBondContact O-N 3.42Å; M7-F10 PolarHBondContact O-N 3.34Å; F10-S12 VanDerWaalsContact C-N 3.34Å; F10-S12 PolarHBondContact O-N 3.38Å; F10-I13 PolarHBondContact O-N 2.92Å; F10-M14 HydrophobicContact CD1-CG 4.02Å; F10-M14 HydrophobicContact CE1-CG 3.74Å; F10-M14 HydrophobicContact CE1-SD 4.44Å; F10-M14 HydrophobicContact CZ-CG 4.24Å; F10-M14 HydrophobicContact CZ-SD 4.5Å; F10-M14 WeakPolarHBondContact O-CB 3.37Å; F10-M14 WeakPolarHBondContact O-CG 3.33Å; F10-M14 PolarHBondContact O-N 3.22Å
11T58Low53.8Low74 Ų74104.2 Ų104.245%0.45456%0.558SS.*Hα-helixtrans-63-38.5172.731.90000112.6M7 Q8 M14 D15M7-T11 PolarHBondContact O-N 2.94Å; M7-T11 PolarHBondContact O-OG1 3.25Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.5Å; Q8-T11 PolarHBondContact O-OG1 3.47Å; T11-M14 PolarHBondContact O-N 3.36Å; T11-D15 WeakPolarHBondContact O-CB 3.36Å; T11-D15 PolarHBondContact O-N 2.97Å
12S57.9Low54.6Low72 Ų7296.6 Ų96.650%0.50352%0.524SS..Hα-helixtrans-65.7-40.4176.7-175.90000112.1Q8 T9 F10 A16Q8-S12 WeakPolarHBondContact O-CB 3.37Å; Q8-S12 PolarHBondContact O-N 3.4Å; T9-S12 PolarHBondContact O-N 3.34Å; F10-S12 VanDerWaalsContact C-N 3.34Å; F10-S12 PolarHBondContact O-N 3.38Å; S12-A16 VanDerWaalsContact O-CB 3.3Å; S12-A16 WeakPolarHBondContact O-CB 3.24Å; S12-A16 PolarHBondContact O-N 3.44Å
13I61.8Low55.8Low97 Ų9796.8 Ų96.850%0.49752%0.521SS..Hα-helixtrans-66.6-43.6174.5-68163.7000110.4T9 F10 A16 L17T9-I13 WeakPolarHBondContact O-CB 3.31Å; T9-I13 WeakPolarHBondContact O-CD1 3.49Å; T9-I13 WeakPolarHBondContact O-CG1 3.32Å; T9-I13 PolarHBondContact O-N 2.85Å; F10-I13 PolarHBondContact O-N 2.92Å; I13-A16 PolarHBondContact O-N 2.99Å; I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.33Å; I13-L17 WeakPolarHBondContact O-CB 3.43Å; I13-L17 VanDerWaalsContact O-CG 3.22Å; I13-L17 WeakPolarHBondContact O-CG 3.36Å; I13-L17 PolarHBondContact O-N 3.42Å
14M57.1Low56.9Low94 Ų9492.1 Ų92.146%0.46350%0.5SS..Hα-helixtrans-63.7-42.4176.6-75-69.3-88.700112F10 T11 A16 L17 V18F10-M14 HydrophobicContact CD1-CG 4.02Å; F10-M14 HydrophobicContact CE1-CG 3.74Å; F10-M14 HydrophobicContact CE1-SD 4.44Å; F10-M14 HydrophobicContact CZ-CG 4.24Å; F10-M14 HydrophobicContact CZ-SD 4.5Å; F10-M14 WeakPolarHBondContact O-CB 3.37Å; F10-M14 WeakPolarHBondContact O-CG 3.33Å; F10-M14 PolarHBondContact O-N 3.22Å; T11-M14 PolarHBondContact O-N 3.36Å; M14-A16 VanDerWaalsContact C-N 3.34Å; M14-A16 PolarHBondContact O-N 3.04Å; M14-L17 PolarHBondContact O-N 3.19Å; M14-L17 HydrophobicContact SD-CD1 4.43Å; M14-V18 WeakPolarHBondContact O-CB 3.42Å; M14-V18 VanDerWaalsContact O-CG2 3.26Å; M14-V18 WeakPolarHBondContact O-CG2 3.4Å; M14-V18 PolarHBondContact O-N 2.97Å
15D56.8Low58Low91 Ų9195.8 Ų95.849%0.48750%0.504SS..Hα-helixtrans-66.2-35.2174.4-82.7-7.4000112.5T11 R19T11-D15 WeakPolarHBondContact O-CB 3.36Å; T11-D15 PolarHBondContact O-N 2.97Å; D15-R19 VanDerWaalsContact O-CB 3.28Å; D15-R19 WeakPolarHBondContact O-CB 3.45Å; D15-R19 VanDerWaalsContact O-CG 3.26Å; D15-R19 WeakPolarHBondContact O-CG 3.29Å; D15-R19 PolarHBondContact O-N 3.38Å; D15-R19 PolarHBondContact O-NE 3.03Å
16A55.8Low59.3Low41 Ų4193.9 Ų93.934%0.33950%0.498SS..Hα-helixtrans-66.5-43.4172.700000110.9S12 I13 M14 R19 I20S12-A16 VanDerWaalsContact O-CB 3.3Å; S12-A16 WeakPolarHBondContact O-CB 3.24Å; S12-A16 PolarHBondContact O-N 3.44Å; I13-A16 PolarHBondContact O-N 2.99Å; M14-A16 VanDerWaalsContact C-N 3.34Å; M14-A16 PolarHBondContact O-N 3.04Å; A16-R19 PolarHBondContact O-N 2.95Å; A16-I20 WeakPolarHBondContact O-CB 3.28Å; A16-I20 WeakPolarHBondContact O-CD1 3.3Å; A16-I20 WeakPolarHBondContact O-CG1 3.24Å; A16-I20 PolarHBondContact O-N 3.14Å
17L55.1Low60.7Low95 Ų9592.6 Ų92.650%0.49749%0.489SS..Hα-helixtrans-65.5-38.6176.4-71.4170.9000112.2I13 M14 I20 S21I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.33Å; I13-L17 WeakPolarHBondContact O-CB 3.43Å; I13-L17 VanDerWaalsContact O-CG 3.22Å; I13-L17 WeakPolarHBondContact O-CG 3.36Å; I13-L17 PolarHBondContact O-N 3.42Å; M14-L17 PolarHBondContact O-N 3.19Å; M14-L17 HydrophobicContact SD-CD1 4.43Å; L17-I20 PolarHBondContact O-N 2.69Å; L17-S21 WeakPolarHBondContact O-CB 3.35Å; L17-S21 PolarHBondContact O-N 3.44Å
18V58.1Low62.3Low84 Ų8490.1 Ų90.151%0.50948%0.476SS..Hα-helixtrans-67.4-42.1174.1170.70000110.7M14 S21 T22M14-V18 WeakPolarHBondContact O-CB 3.42Å; M14-V18 VanDerWaalsContact O-CG2 3.26Å; M14-V18 WeakPolarHBondContact O-CG2 3.4Å; M14-V18 PolarHBondContact O-N 2.97Å; V18-S21 PolarHBondContact O-N 3.47Å; V18-T22 HydrophobicContact CG1-CG2 4.33Å; V18-T22 WeakPolarHBondContact O-CB 3.43Å; V18-T22 VanDerWaalsContact O-CG2 3.3Å; V18-T22 WeakPolarHBondContact O-CG2 3.3Å; V18-T22 PolarHBondContact O-N 2.79Å; V18-T22 PolarHBondContact O-OG1 2.97Å
19R63.7Low63.8Low158 Ų15890.3 Ų90.360%0.59647%0.474SS*.Hα-helixtrans-63.7-39.6173.7-79-178-86.6-151.2-1.8112.6D15 A16 T22 S23D15-R19 VanDerWaalsContact O-CB 3.28Å; D15-R19 WeakPolarHBondContact O-CB 3.45Å; D15-R19 VanDerWaalsContact O-CG 3.26Å; D15-R19 WeakPolarHBondContact O-CG 3.29Å; D15-R19 PolarHBondContact O-N 3.38Å; D15-R19 PolarHBondContact O-NE 3.03Å; A16-R19 PolarHBondContact O-N 2.95Å; R19-T22 VanDerWaalsContact CA-OG1 3.31Å; R19-T22 WeakPolarHBondContact CA-OG1 3.29Å; R19-T22 PolarHBondContact O-OG1 3.1Å; R19-S23 WeakPolarHBondContact O-CB 3.16Å; R19-S23 PolarHBondContact O-N 3.15Å
20I60.2Low65.1Low97 Ų9794 Ų9450%0.49749%0.487SS..Hα-helixtrans-66.6-45.8174.3-68.9162.3000110.3A16 L17 S23 M24A16-I20 WeakPolarHBondContact O-CB 3.28Å; A16-I20 WeakPolarHBondContact O-CD1 3.3Å; A16-I20 WeakPolarHBondContact O-CG1 3.24Å; A16-I20 PolarHBondContact O-N 3.14Å; L17-I20 PolarHBondContact O-N 2.69Å; I20-S23 PolarHBondContact O-N 3.26Å; I20-M24 HydrophobicContact CG2-CG 4.36Å; I20-M24 WeakPolarHBondContact O-CB 3.37Å; I20-M24 WeakPolarHBondContact O-CG 3.4Å; I20-M24 PolarHBondContact O-N 2.79Å
21S56.2Low66.6Low52 Ų5288.2 Ų88.236%0.36446%0.462SS..Hα-helixtrans-63.5-43.4178.9-177.60000112.6L17 V18 M24 K25L17-S21 WeakPolarHBondContact O-CB 3.35Å; L17-S21 PolarHBondContact O-N 3.44Å; V18-S21 PolarHBondContact O-N 3.47Å; S21-M24 PolarHBondContact O-N 2.85Å; S21-K25 WeakPolarHBondContact O-CG 3.23Å; S21-K25 PolarHBondContact O-N 2.84Å
22T64.9Low68Low65 Ų6587.4 Ų87.440%0.39945%0.454SS..Hα-helixtrans-67.6-39.7174.949.70000111.8V18 R19 K25 N26V18-T22 HydrophobicContact CG1-CG2 4.33Å; V18-T22 WeakPolarHBondContact O-CB 3.43Å; V18-T22 VanDerWaalsContact O-CG2 3.3Å; V18-T22 WeakPolarHBondContact O-CG2 3.3Å; V18-T22 PolarHBondContact O-N 2.79Å; V18-T22 PolarHBondContact O-OG1 2.97Å; R19-T22 VanDerWaalsContact CA-OG1 3.31Å; R19-T22 WeakPolarHBondContact CA-OG1 3.29Å; R19-T22 PolarHBondContact O-OG1 3.1Å; T22-K25 PolarHBondContact O-N 2.9Å; T22-N26 VanDerWaalsContact O-CB 3.31Å; T22-N26 WeakPolarHBondContact O-CB 3.33Å; T22-N26 PolarHBondContact O-N 3.23Å; T22-N26 PolarHBondContact O-ND2 3.27Å
23S66.9Low69.5Low74 Ų7484 Ų8452%0.51743%0.43SS..Hα-helixtrans-60.8-43.8171.8-176.90000112.2R19 I20 K25 N26 M27R19-S23 WeakPolarHBondContact O-CB 3.16Å; R19-S23 PolarHBondContact O-N 3.15Å; I20-S23 PolarHBondContact O-N 3.26Å; S23-K25 PolarHBondContact O-N 2.78Å; S23-N26 PolarHBondContact O-N 2.97Å; S23-M27 WeakPolarHBondContact O-CB 3.44Å; S23-M27 PolarHBondContact O-N 3.49Å
24M66.4Low70.7Confident78 Ų7881.9 Ų81.938%0.38442%0.423SS..Hα-helixtrans-65.7-37.2177.2-68.5-131.9-66.100113I20 S21 E28 Y160I20-M24 HydrophobicContact CG2-CG 4.36Å; I20-M24 WeakPolarHBondContact O-CB 3.37Å; I20-M24 WeakPolarHBondContact O-CG 3.4Å; I20-M24 PolarHBondContact O-N 2.79Å; S21-M24 PolarHBondContact O-N 2.85Å; M24-E28 PolarHBondContact O-N 3.38Å; M24-Y160 PolarHBondContact O-OH 3.07Å
25K68.4Low72.2Confident121 Ų12179.8 Ų79.853%0.52642%0.415SS..Hα-helixtrans-72.3-37174.6-72.9177-177.7-1780112.7S21 T22 S23 M27 E28 K29S21-K25 WeakPolarHBondContact O-CG 3.23Å; S21-K25 PolarHBondContact O-N 2.84Å; T22-K25 PolarHBondContact O-N 2.9Å; S23-K25 PolarHBondContact O-N 2.78Å; K25-M27 VanDerWaalsContact C-N 3.33Å; K25-E28 WeakPolarHBondContact O-CB 3.46Å; K25-E28 PolarHBondContact O-N 2.95Å; K25-K29 PolarHBondContact O-N 3.39Å
26N75.8Confident73.7Confident94 Ų9478 Ų7850%0.50341%0.409SS..Hα-helixtrans-67.6-38.5174.9-71.3-18.7000110.7T22 S23 K29T22-N26 VanDerWaalsContact O-CB 3.31Å; T22-N26 WeakPolarHBondContact O-CB 3.33Å; T22-N26 PolarHBondContact O-N 3.23Å; T22-N26 PolarHBondContact O-ND2 3.27Å; S23-N26 PolarHBondContact O-N 2.97Å; N26-K29 PolarHBondContact O-N 3.07Å
27M77.7Confident75.2Confident88 Ų8883.2 Ų83.243%0.43343%0.427SS..Hα-helixtrans-66.7-35172.6-168.7164.479.900112.5S23 K25 K29 E30 L31 Y160S23-M27 WeakPolarHBondContact O-CB 3.44Å; S23-M27 PolarHBondContact O-N 3.49Å; K25-M27 VanDerWaalsContact C-N 3.33Å; M27-K29 VanDerWaalsContact C-N 3.34Å; M27-K29 PolarHBondContact O-N 3.46Å; M27-E30 PolarHBondContact O-N 3.23Å; M27-L31 HydrophobicContact CG-CD1 4.46Å; M27-L31 WeakPolarHBondContact O-CG 3.41Å; M27-Y160 HydrophobicContact CE-CD2 3.3Å; M27-Y160 HydrophobicContact CE-CE2 3.6Å; M27-Y160 HydrophobicContact CE-CG 4.43Å
28E81.8Confident76.7Confident75 Ų7583.9 Ų83.935%0.3543%0.427SS..Hα-helixtrans-57.5-46.2175.3-162.3169.3-171.100112.1M24 K25 E30 L31 L32 Y160M24-E28 PolarHBondContact O-N 3.38Å; K25-E28 WeakPolarHBondContact O-CB 3.46Å; K25-E28 PolarHBondContact O-N 2.95Å; E28-E30 VanDerWaalsContact C-N 3.26Å; E28-E30 PolarHBondContact O-N 3.37Å; E28-L31 WeakPolarHBondContact O-CA 3.27Å; E28-L31 WeakPolarHBondContact O-CB 3.4Å; E28-L31 PolarHBondContact O-N 2.96Å; E28-L32 WeakPolarHBondContact O-CG 3.16Å; E28-Y160 HydrophobicContact CB-CE1 4.24Å; E28-Y160 VanDerWaalsContact CB-OH 3.27Å; E28-Y160 WeakPolarHBondContact CB-OH 3.41Å; E28-Y160 HydrophobicContact CG-CE1 3.92Å
29K83.3Confident77.9Confident145 Ų14581.1 Ų81.163%0.6341%0.409SS*.Hα-helixtrans-58.4-37-179.1-69.5175.5-179.21760112.7K25 N26 M27 L31K25-K29 PolarHBondContact O-N 3.39Å; N26-K29 PolarHBondContact O-N 3.07Å; M27-K29 VanDerWaalsContact C-N 3.34Å; M27-K29 PolarHBondContact O-N 3.46Å; K29-L31 PolarHBondContact O-N 3.29Å
30E84.3Confident78.8Confident152 Ų15274.7 Ų74.771%0.7139%0.385SS*.Hα-helixtrans-70.2-15177.1-63.6-62.9153.600113.2M27 E28M27-E30 PolarHBondContact O-N 3.23Å; E28-E30 VanDerWaalsContact C-N 3.26Å; E28-E30 PolarHBondContact O-N 3.37Å
31L87.6Confident79.8Confident6 Ų675.9 Ų75.93%0.03139%0.386CS..THydrogen-bonded Turntrans-102.81.1-176.1-61.9178.5000113.9M27 E28 K29 M39 Y40 L153 V156 V157 Y160M27-L31 HydrophobicContact CG-CD1 4.46Å; M27-L31 WeakPolarHBondContact O-CG 3.41Å; E28-L31 WeakPolarHBondContact O-CA 3.27Å; E28-L31 WeakPolarHBondContact O-CB 3.4Å; E28-L31 PolarHBondContact O-N 2.96Å; K29-L31 PolarHBondContact O-N 3.29Å; L31-M39 WeakPolarHBondContact O-CA 3.27Å; L31-Y40 WeakPolarHBondContact O-CD2 3.39Å; L31-Y40 PolarHBondContact O-N 2.88Å; L31-L153 HydrophobicContact CD2-CD1 3.87Å; L31-V156 HydrophobicContact CD1-CG1 4.41Å; L31-V156 HydrophobicContact CD2-CB 4.34Å; L31-V156 HydrophobicContact CD2-CG1 3.62Å; L31-V157 HydrophobicContact CB-CG2 4.15Å; L31-V157 HydrophobicContact CD2-CG2 4.02Å; L31-Y160 HydrophobicContact CD1-CD1 3.71Å; L31-Y160 HydrophobicContact CD1-CD2 4.09Å; L31-Y160 HydrophobicContact CD1-CE1 4.42Å; L31-Y160 HydrophobicContact CD1-CG 3.49Å; L31-Y160 VanDerWaalsContact CD1-CG 3.49Å
32L88.4Confident81Confident57 Ų5777.5 Ų77.530%0.29839%0.388SS..BIsolated β-bridgetrans-91.5141.8179-57-179.7000111.7E28 M39 Y40E28-L32 WeakPolarHBondContact O-CG 3.16Å; L32-M39 HydrophobicContact CD2-CG 4.05Å; L32-Y40 WeakPolarHBondContact O-CE2 3.46Å; L32-Y40 VanDerWaalsContact O-CZ 3.23Å; L32-Y40 PolarHBondContact O-OH 3Å; L32-Y40 VanDerWaalsContact O-OH 3.1Å
33C88.8Confident82.1Confident0 Ų074.4 Ų74.40%037%0.369CS..  trans-78.2129.8173.2176.50000110.3V35 C36 Q37 E38 Y40 C53C33-V35 PolarHBondContact O-N 3.11Å; C33-C36 VanDerWaalsContact CB-SG 3.58Å; C33-Q37 WeakPolarHBondContact O-CA 3.4Å; C33-Q37 PolarHBondContact O-N 3.41Å; C33-E38 WeakPolarHBondContact CB-O 3.2Å; C33-E38 PolarHBondContact N-O 3.06Å; C33-Y40 HydrophobicContact CB-CD1 3.77Å; C33-Y40 HydrophobicContact CB-CE1 3.72Å; C33-Y40 HydrophobicContact CB-CG 4.4Å; C33-C53 VanDerWaalsContact CB-SG 3.56Å; C33-C53 VanDerWaalsContact SG-SG 3.6Å
34P87.8Confident83.1Confident52 Ų5271.2 Ų71.234%0.33835%0.346SS..THydrogen-bonded Turntrans-65.9-15.3-175.426.6-36.4000114.2Y40 P131 A132P34-Y40 WeakPolarHBondContact CD-OH 3.39Å; P34-P131 HydrophobicContact CB-CB 4.35Å; P34-P131 HydrophobicContact CG-CB 4.47Å; P34-A132 HydrophobicContact CG-CB 4.41Å
35V88.1Confident84.1Confident50 Ų5069.7 Ų69.730%0.30334%0.341SS..THydrogen-bonded Turntrans-89.8-58.6179.2-1780000112C33 V52 C56 V60 P131C33-V35 PolarHBondContact O-N 3.11Å; V35-V52 HydrophobicContact CG2-CG2 3.93Å; V35-C56 HydrophobicContact CB-CB 3.74Å; V35-C56 HydrophobicContact CG1-CB 3.77Å; V35-C56 HydrophobicContact CG2-CB 4.13Å; V35-V60 HydrophobicContact CG1-CG2 4.4Å; V35-V60 HydrophobicContact CG2-CG2 4.22Å; V35-P131 HydrophobicContact CG2-CB 4.36Å; V35-P131 HydrophobicContact CG2-CG 3.71Å
36C87.9Confident85.1Confident53 Ų5364.1 Ų64.136%0.35832%0.317SS..THydrogen-bonded Turntrans-91.4-6.7-176.2610000114C33 E38 C56C33-C36 VanDerWaalsContact CB-SG 3.58Å; C36-E38 PolarHBondContact O-N 2.96Å; C36-C56 VanDerWaalsContact SG-SG 3.62Å
37Q87.1Confident85.4Confident152 Ų15261.9 Ų61.971%0.7131%0.308SS*.  trans56.38-175.2-59.7-174.9-10.600115.4C33C33-Q37 WeakPolarHBondContact O-CA 3.4Å; C33-Q37 PolarHBondContact O-N 3.41Å
38E86.9Confident85.7Confident109 Ų10959.3 Ų59.351%0.50930%0.298SS..SBendtrans-91.7157.6172.6-67.8-68.2150.400111.2C33 C36 Y40C33-E38 WeakPolarHBondContact CB-O 3.2Å; C33-E38 PolarHBondContact N-O 3.06Å; C36-E38 PolarHBondContact O-N 2.96Å; E38-Y40 PolarHBondContact O-N 3.44Å
39M83.8Confident85.9Confident26 Ų2660.6 Ų60.613%0.12831%0.311CS..BIsolated β-bridgetrans-55.4138172.2-64.6-179.3-177.900111.5L31 L32 K41 V157 Y160 R161L31-M39 WeakPolarHBondContact O-CA 3.27Å; L32-M39 HydrophobicContact CD2-CG 4.05Å; M39-K41 PolarHBondContact O-N 2.71Å; M39-V157 HydrophobicContact CB-CG1 3.83Å; M39-V157 HydrophobicContact SD-CG1 4.27Å; M39-Y160 HydrophobicContact CE-CD1 3.64Å; M39-Y160 HydrophobicContact CE-CE1 3.52Å; M39-Y160 HydrophobicContact SD-CD1 4.32Å; M39-R161 HydrophobicContact SD-CG 3.64Å
40Y83.1Confident86.1Confident22 Ų2256.8 Ų56.89%0.08630%0.295CS..PPolyproline II helixtrans-51.1128.3-172.9-72.6-80.5000114L31 L32 C33 P34 E38 P43 N51 L153L31-Y40 WeakPolarHBondContact O-CD2 3.39Å; L31-Y40 PolarHBondContact O-N 2.88Å; L32-Y40 WeakPolarHBondContact O-CE2 3.46Å; L32-Y40 VanDerWaalsContact O-CZ 3.23Å; L32-Y40 PolarHBondContact O-OH 3Å; L32-Y40 VanDerWaalsContact O-OH 3.1Å; C33-Y40 HydrophobicContact CB-CD1 3.77Å; C33-Y40 HydrophobicContact CB-CE1 3.72Å; C33-Y40 HydrophobicContact CB-CG 4.4Å; P34-Y40 WeakPolarHBondContact CD-OH 3.39Å; E38-Y40 PolarHBondContact O-N 3.44Å; Y40-P43 HydrophobicContact CD1-CB 3.85Å; Y40-P43 HydrophobicContact CG-CB 4.15Å; Y40-N51 HydrophobicContact CD1-CB 4.41Å; Y40-N51 HydrophobicContact CE1-CB 3.71Å; Y40-N51 WeakPolarHBondContact CE1-O 3.1Å; Y40-N51 PolarHBondContact OH-O 2.86Å; Y40-L153 HydrophobicContact CD1-CD2 4.21Å; Y40-L153 HydrophobicContact CD2-CD1 4.08Å; Y40-L153 HydrophobicContact CD2-CD2 3.55Å; Y40-L153 HydrophobicContact CD2-CG 3.89Å; Y40-L153 HydrophobicContact CE1-CD2 4.36Å; Y40-L153 HydrophobicContact CE2-CD1 4.43Å; Y40-L153 HydrophobicContact CE2-CD2 3.76Å; Y40-L153 HydrophobicContact CE2-CG 4.44Å; Y40-L153 HydrophobicContact CG-CD2 3.81Å; Y40-L153 HydrophobicContact CG-CG 4.24Å
41K81.4Confident86.4Confident123 Ų12351 Ų5154%0.53527%0.27SS..SBendtrans-116.6116.1171.8-63.5176.7-172.1171.10108.6M39 C53M39-K41 PolarHBondContact O-N 2.71Å; K41-C53 PolarHBondContact N-SG 3.25Å; K41-C53 WeakPolarHBondContact O-CA 3.35Å; K41-C53 WeakPolarHBondContact O-CB 3.22Å
42Q81.2Confident86.5Confident86 Ų8650.8 Ų50.840%0.40227%0.268SS..SBendtrans50.157.9-176.8-42.7-165.6-50.900112.6Q54 R149Q42-Q54 HydrophobicContact CB-CB 4.13Å; Q42-Q54 WeakPolarHBondContact O-CB 3.28Å; Q42-Q54 PolarHBondContact O-N 2.92Å; Q42-R149 VanDerWaalsContact CG-NH2 3.29Å
43P87.5Confident86.6Confident0 Ų048.2 Ų48.20%026%0.255CS..EExtended strand (participates in β ladder)trans-64.2138.2-175.625.4-33.4000112.2Y40 V52 R149 N150 L153 E154Y40-P43 HydrophobicContact CD1-CB 3.85Å; Y40-P43 HydrophobicContact CG-CB 4.15Å; P43-V52 CarbonylContact C-O 3.56Å; P43-V52 WeakPolarHBondContact CA-O 3.29Å; P43-R149 CarbonylContact O-C 3.6Å; P43-R149 WeakPolarHBondContact O-CA 3.49Å; P43-R149 WeakPolarHBondContact O-CG 3.21Å; P43-N150 HydrophobicContact CB-CB 4.17Å; P43-N150 HydrophobicContact CG-CB 3.97Å; P43-N150 WeakPolarHBondContact CG-O 3.45Å; P43-N150 PolarHBondContact O-N 3.05Å; P43-L153 HydrophobicContact CB-CD2 3.97Å; P43-L153 HydrophobicContact CG-CB 4.17Å; P43-L153 HydrophobicContact CG-CD2 4.18Å; P43-L153 HydrophobicContact CG-CG 4.27Å; P43-E154 HydrophobicContact CG-CB 4.41Å
44L87.8Confident86.5Confident7 Ų750.4 Ų50.44%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-103.1139.6170.2-61.1177.5000109.6N51 V52 Q54 A57 L144 L147 F148 R149L44-N51 WeakPolarHBondContact O-CA 3.21Å; L44-V52 PolarHBondContact N-O 2.8Å; L44-V52 PolarHBondContact O-N 2.77Å; L44-V52 VanDerWaalsContact O-N 3.17Å; L44-Q54 HydrophobicContact CD1-CB 4.18Å; L44-Q54 HydrophobicContact CD1-CG 4.2Å; L44-Q54 HydrophobicContact CG-CB 4.18Å; L44-A57 HydrophobicContact CD1-CB 4.23Å; L44-L144 HydrophobicContact CD1-CB 4.36Å; L44-L144 HydrophobicContact CD1-CD2 4.28Å; L44-L147 HydrophobicContact CB-CB 4.4Å; L44-L147 HydrophobicContact CB-CD1 4.29Å; L44-L147 HydrophobicContact CD1-CD1 4.35Å; L44-F148 WeakPolarHBondContact CA-O 3.32Å; L44-R149 HydrophobicContact CD2-CB 4.47Å; L44-R149 HydrophobicContact CD2-CG 4.46Å
45V88.5Confident86.4Confident46 Ų4651 Ų5128%0.27928%0.275SS..EExtended strand (participates in β ladder)trans-88.4117.1172.9-172.40000108.9F148 N150V45-F148 PolarHBondContact N-O 2.9Å; V45-N150 HydrophobicContact CG2-CB 3.61Å
46L87.8Confident86.4Confident4 Ų449 Ų492%0.02126%0.263CS..PPolyproline II helixtrans-76.4157.9174.7-63.6170.9000111C48 T49 H50 V52 F128 C130 L139 L147L46-C48 PolarHBondContact O-N 2.81Å; L46-C48 VanDerWaalsContact O-N 3.16Å; L46-T49 WeakPolarHBondContact O-CA 3.27Å; L46-T49 PolarHBondContact O-N 2.79Å; L46-H50 WeakPolarHBondContact CB-O 3.4Å; L46-H50 HydrophobicContact CD1-CB 4.49Å; L46-H50 PolarHBondContact N-O 2.91Å; L46-V52 HydrophobicContact CD1-CG1 4.09Å; L46-V52 HydrophobicContact CD2-CG1 4.12Å; L46-V52 HydrophobicContact CG-CG1 4.09Å; L46-F128 HydrophobicContact CD1-CD1 3.97Å; L46-F128 HydrophobicContact CD1-CE1 3.63Å; L46-F128 HydrophobicContact CD2-CD1 3.75Å; L46-F128 HydrophobicContact CD2-CE1 3.82Å; L46-F128 HydrophobicContact CD2-CG 4.35Å; L46-F128 HydrophobicContact CD2-CZ 4.47Å; L46-F128 HydrophobicContact CG-CE1 4.4Å; L46-C130 HydrophobicContact CD1-CB 4.16Å; L46-L139 HydrophobicContact CD2-CD2 4.24Å; L46-L147 HydrophobicContact CD2-CD1 3.89Å
47P82.6Confident86.4Confident47 Ų4746.5 Ų46.531%0.30525%0.246SC..THydrogen-bonded Turntrans-58.4-24.4173.6-25.431.7000114.9T49 V137 L139 L147P47-T49 PolarHBondContact O-N 2.91Å; P47-V137 HydrophobicContact CB-CG1 3.47Å; P47-V137 VanDerWaalsContact CB-CG1 3.47Å; P47-V137 VanDerWaalsContact CD-CG1 3.46Å; P47-V137 HydrophobicContact CG-CG1 3.54Å; P47-L139 HydrophobicContact CG-CD2 4.44Å; P47-L147 HydrophobicContact CG-CD2 4.3Å
48C84.8Confident86.3Confident33 Ų3346.1 Ų46.122%0.22324%0.238CC..THydrogen-bonded Turntrans-79.68.9170.867.20000113.8L46 H50 V137L46-C48 PolarHBondContact O-N 2.81Å; L46-C48 VanDerWaalsContact O-N 3.16Å; C48-H50 PolarHBondContact O-N 2.88Å; C48-H50 PolarHBondContact O-ND1 2.81Å; C48-H50 PolarHBondContact SG-ND1 2.86Å; C48-V137 HydrophobicContact CB-CG2 3.78Å
49T84.5Confident86.3Confident102 Ų10246.2 Ų46.263%0.62624%0.238SC*.SBendtrans70.6-3.1-179.972.10000117.1L46 P47L46-T49 WeakPolarHBondContact O-CA 3.27Å; L46-T49 PolarHBondContact O-N 2.79Å; P47-T49 PolarHBondContact O-N 2.91Å
50H88.9Confident86.4Confident65 Ų6545.9 Ų45.930%0.30124%0.238SC..  trans-76.7160.8172.5-65.695.8000112.7L46 C48 A132L46-H50 WeakPolarHBondContact CB-O 3.4Å; L46-H50 HydrophobicContact CD1-CB 4.49Å; L46-H50 PolarHBondContact N-O 2.91Å; C48-H50 PolarHBondContact O-N 2.88Å; C48-H50 PolarHBondContact O-ND1 2.81Å; C48-H50 PolarHBondContact SG-ND1 2.86Å; H50-A132 HydrophobicContact CB-CB 3.99Å; H50-A132 VanDerWaalsContact CD2-CB 3.41Å; H50-A132 WeakPolarHBondContact CD2-CB 3.35Å
51N89.9Confident86.4Confident32 Ų3245.6 Ų45.617%0.17124%0.237CC..EExtended strand (participates in β ladder)trans-113.2144.7-176.3-58.6-86.4000111Y40 L44 N150 L153Y40-N51 HydrophobicContact CD1-CB 4.41Å; Y40-N51 HydrophobicContact CE1-CB 3.71Å; Y40-N51 WeakPolarHBondContact CE1-O 3.1Å; Y40-N51 PolarHBondContact OH-O 2.86Å; L44-N51 WeakPolarHBondContact O-CA 3.21Å; N51-N150 PolarHBondContact OD1-ND2 3.34Å; N51-L153 HydrophobicContact CB-CD2 3.63Å
52V90.6Very high86.2Confident0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-146.6143.3173.757.90000109.5V35 P43 L44 L46 C56 A57 F128V35-V52 HydrophobicContact CG2-CG2 3.93Å; P43-V52 CarbonylContact C-O 3.56Å; P43-V52 WeakPolarHBondContact CA-O 3.29Å; L44-V52 PolarHBondContact N-O 2.8Å; L44-V52 PolarHBondContact O-N 2.77Å; L44-V52 VanDerWaalsContact O-N 3.17Å; L46-V52 HydrophobicContact CD1-CG1 4.09Å; L46-V52 HydrophobicContact CD2-CG1 4.12Å; L46-V52 HydrophobicContact CG-CG1 4.09Å; V52-C56 HydrophobicContact CG2-CB 3.73Å; V52-A57 HydrophobicContact CG1-CB 3.8Å; V52-A57 HydrophobicContact CG2-CB 4.26Å; V52-F128 HydrophobicContact CG1-CZ 4.29Å
53C90.3Very high85.8Confident4 Ų444.8 Ų44.83%0.02725%0.247CC..EExtended strand (participates in β ladder)trans-59.6142.6175.5-64.40000110.9C33 K41 A55 C56 A57C33-C53 VanDerWaalsContact CB-SG 3.56Å; C33-C53 VanDerWaalsContact SG-SG 3.6Å; K41-C53 PolarHBondContact N-SG 3.25Å; K41-C53 WeakPolarHBondContact O-CA 3.35Å; K41-C53 WeakPolarHBondContact O-CB 3.22Å; C53-A55 PolarHBondContact O-N 3.21Å; C53-C56 HydrophobicContact CB-CB 4.02Å; C53-C56 PolarHBondContact O-N 3.18Å; C53-C56 VanDerWaalsContact O-N 3.07Å; C53-A57 PolarHBondContact O-N 3.02Å
54Q86.4Confident84.7Confident46 Ų4648.9 Ų48.922%0.21527%0.266CS..Hα-helixtrans-55.9-37.9179.5-179170.615.900113.1Q42 L44 R58Q42-Q54 HydrophobicContact CB-CB 4.13Å; Q42-Q54 WeakPolarHBondContact O-CB 3.28Å; Q42-Q54 PolarHBondContact O-N 2.92Å; L44-Q54 HydrophobicContact CD1-CB 4.18Å; L44-Q54 HydrophobicContact CD1-CG 4.2Å; L44-Q54 HydrophobicContact CG-CB 4.18Å; Q54-R58 WeakPolarHBondContact O-CG 3.14Å; Q54-R58 PolarHBondContact O-N 3.43Å
55A85.4Confident83.3Confident65 Ų6551.4 Ų51.454%0.53729%0.293SS..Hα-helixtrans-66.6-47.8175.100000111.8C53 A57 R58 E59C53-A55 PolarHBondContact O-N 3.21Å; A55-A57 VanDerWaalsContact C-N 3.32Å; A55-A57 PolarHBondContact O-N 3.48Å; A55-R58 WeakPolarHBondContact O-CB 3.31Å; A55-R58 PolarHBondContact O-N 3.37Å; A55-R58 VanDerWaalsContact O-N 3.16Å; A55-E59 PolarHBondContact O-N 3.3Å
56C89Confident82Confident7 Ų753.7 Ų53.75%0.04730%0.298CS..Hα-helixtrans-62-38.3178.2-630000112.6V35 C36 V52 C53 R58 E59 V60V35-C56 HydrophobicContact CB-CB 3.74Å; V35-C56 HydrophobicContact CG1-CB 3.77Å; V35-C56 HydrophobicContact CG2-CB 4.13Å; C36-C56 VanDerWaalsContact SG-SG 3.62Å; V52-C56 HydrophobicContact CG2-CB 3.73Å; C53-C56 HydrophobicContact CB-CB 4.02Å; C53-C56 PolarHBondContact O-N 3.18Å; C53-C56 VanDerWaalsContact O-N 3.07Å; C56-R58 VanDerWaalsContact C-N 3.32Å; C56-R58 PolarHBondContact O-N 2.97Å; C56-E59 PolarHBondContact O-N 2.86Å; C56-V60 VanDerWaalsContact O-CG2 3.28Å; C56-V60 WeakPolarHBondContact O-CG2 3.41Å; C56-V60 PolarHBondContact O-N 3.3Å
57A86.3Confident80Confident0 Ų060.5 Ų60.50%033%0.333CS..Hα-helixtrans-64.9-37.6176.800000112L44 V52 C53 A55 L61 F128 L144L44-A57 HydrophobicContact CD1-CB 4.23Å; V52-A57 HydrophobicContact CG1-CB 3.8Å; V52-A57 HydrophobicContact CG2-CB 4.26Å; C53-A57 PolarHBondContact O-N 3.02Å; A55-A57 VanDerWaalsContact C-N 3.32Å; A55-A57 PolarHBondContact O-N 3.48Å; A57-L61 PolarHBondContact O-N 2.75Å; A57-F128 HydrophobicContact CB-CE2 4.17Å; A57-F128 HydrophobicContact CB-CZ 4.37Å; A57-L144 HydrophobicContact CB-CD1 3.88Å; A57-L144 HydrophobicContact CB-CD2 3.7Å; A57-L144 HydrophobicContact CB-CG 4.46Å
58R86.4Confident78Confident144 Ų14461.6 Ų61.654%0.54335%0.352SS..Hα-helixtrans-67.2-40174.2-72.2175.2-177.1147-2.2111.8Q54 A55 C56 L61 G62 L144Q54-R58 WeakPolarHBondContact O-CG 3.14Å; Q54-R58 PolarHBondContact O-N 3.43Å; A55-R58 WeakPolarHBondContact O-CB 3.31Å; A55-R58 PolarHBondContact O-N 3.37Å; A55-R58 VanDerWaalsContact O-N 3.16Å; C56-R58 VanDerWaalsContact C-N 3.32Å; C56-R58 PolarHBondContact O-N 2.97Å; R58-L61 PolarHBondContact O-N 3.27Å; R58-G62 PolarHBondContact O-N 3.22Å; R58-L144 HydrophobicContact CB-CD1 4.31Å; R58-L144 HydrophobicContact CG-CD1 3.63Å
59E86.4Confident75.7Confident112 Ų11269.1 Ų69.152%0.52338%0.384SS..Hα-helixtrans-63.7-46.4178.2-173174.8-172.900111.7A55 C56 L61 G62 Q63A55-E59 PolarHBondContact O-N 3.3Å; C56-E59 PolarHBondContact O-N 2.86Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 2.97Å; E59-G62 PolarHBondContact O-N 3.37Å; E59-G62 VanDerWaalsContact O-N 3.15Å; E59-Q63 WeakPolarHBondContact O-CG 3.28Å; E59-Q63 PolarHBondContact O-N 3.42Å
60V85.3Confident73.4Confident19 Ų1968.3 Ų68.312%0.11540%0.395CS..Hα-helixtrans-59.2-42.7175.8171.30000111.4V35 C56 Q64 F128 P129V35-V60 HydrophobicContact CG1-CG2 4.4Å; V35-V60 HydrophobicContact CG2-CG2 4.22Å; C56-V60 VanDerWaalsContact O-CG2 3.28Å; C56-V60 WeakPolarHBondContact O-CG2 3.41Å; C56-V60 PolarHBondContact O-N 3.3Å; V60-Q64 WeakPolarHBondContact O-CG 3.47Å; V60-F128 HydrophobicContact CB-CE2 3.86Å; V60-F128 HydrophobicContact CB-CZ 4.12Å; V60-F128 HydrophobicContact CG1-CD2 4.3Å; V60-F128 HydrophobicContact CG1-CE2 3.67Å; V60-F128 HydrophobicContact CG1-CZ 3.88Å; V60-P129 HydrophobicContact CG1-CG 3.8Å
61L82.8Confident70.5Confident15 Ų1568.6 Ų68.68%0.07942%0.416CS..Hα-helixtrans-70.6-33.5175.5-73.4179000113.5A57 R58 E59 Q64 G65 Y66 I126 F128 L139 L144A57-L61 PolarHBondContact O-N 2.75Å; R58-L61 PolarHBondContact O-N 3.27Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 2.97Å; L61-Q64 PolarHBondContact O-N 3.38Å; L61-G65 PolarHBondContact O-N 3.15Å; L61-Y66 HydrophobicContact CD2-CD2 4.38Å; L61-Y66 PolarHBondContact O-N 3.33Å; L61-I126 HydrophobicContact CD2-CG2 3.91Å; L61-F128 HydrophobicContact CD1-CD2 4.36Å; L61-F128 HydrophobicContact CD2-CB 4.47Å; L61-F128 HydrophobicContact CD2-CD2 3.75Å; L61-F128 HydrophobicContact CG-CD2 3.78Å; L61-F128 HydrophobicContact CG-CE2 4.2Å; L61-L139 HydrophobicContact CD1-CD1 4.04Å; L61-L139 HydrophobicContact CD2-CD1 4.49Å; L61-L144 HydrophobicContact CD1-CD1 3.68Å; L61-L144 HydrophobicContact CD1-CD2 3.87Å; L61-L144 HydrophobicContact CD1-CG 3.49Å; L61-L144 VanDerWaalsContact CD1-CG 3.49Å
62G77.3Confident67.7Low41 Ų4174.5 Ų74.542%0.42345%0.448SS..Hα-helixtrans-65.3-38.1176.500000112.4R58 E59 Q64 G65R58-G62 PolarHBondContact O-N 3.22Å; E59-G62 PolarHBondContact O-N 3.37Å; E59-G62 VanDerWaalsContact O-N 3.15Å; G62-Q64 PolarHBondContact O-N 2.81Å; G62-G65 PolarHBondContact O-N 2.77Å
63Q73.8Confident65Low151 Ų15180.1 Ų80.171%0.70648%0.484SS*.Hα-helixtrans-65.6-22.1173.9-69.8175.76.400112.9E59E59-Q63 WeakPolarHBondContact O-CG 3.28Å; E59-Q63 PolarHBondContact O-N 3.42Å
64Q65.1Low62.3Low86 Ų8684.9 Ų84.940%0.40252%0.517SS..THydrogen-bonded Turntrans-935.2177.7-65.1178.9-52.100114V60 L61 G62 Y66V60-Q64 WeakPolarHBondContact O-CG 3.47Å; L61-Q64 PolarHBondContact O-N 3.38Å; G62-Q64 PolarHBondContact O-N 2.81Å; Q64-Y66 HydrophobicContact CB-CD2 4.3Å
65G58.2Low59.6Low60 Ų6088.7 Ų88.762%0.61955%0.549SS*.THydrogen-bonded Turntrans88.37.217400000115.8L61 G62 I67L61-G65 PolarHBondContact O-N 3.15Å; G62-G65 PolarHBondContact O-N 2.77Å; G65-I67 PolarHBondContact O-N 3.25Å; G65-I67 VanDerWaalsContact O-N 3.11Å
66Y61Low57Low95 Ų9594.4 Ų94.437%0.37357%0.565SS.*  trans-83.976.7173.8-68.4-79000111L61 Q64 G68 I126L61-Y66 HydrophobicContact CD2-CD2 4.38Å; L61-Y66 PolarHBondContact O-N 3.33Å; Q64-Y66 HydrophobicContact CB-CD2 4.3Å; Y66-G68 PolarHBondContact O-N 3.27Å; Y66-I126 HydrophobicContact CE1-CG1 4.29Å; Y66-I126 HydrophobicContact CE2-CG2 4.38Å
67I44.9Very low54.4Low147 Ų14799.7 Ų99.775%0.75460%0.599SS**  trans-80.1108.2169.9-59.5179000108.5G65 H69G65-I67 PolarHBondContact O-N 3.25Å; G65-I67 VanDerWaalsContact O-N 3.11Å; I67-H69 PolarHBondContact O-N 3.16Å
68G41.3Very low51.6Low69 Ų69106.7 Ų106.771%0.71164%0.642SS**  trans-73.4120.216700000110.6Y66 G70Y66-G68 PolarHBondContact O-N 3.27Å; G68-G70 PolarHBondContact O-N 3.36Å
69H35.2Very low49Very low192 Ų192104.9 Ų104.989%0.88965%0.651SS**  trans-59.8104.6163.7-81.5-76.6000109.4I67 G71I67-H69 PolarHBondContact O-N 3.16Å; H69-G71 PolarHBondContact O-N 3.15Å
70G37Very low47.3Very low84 Ų84105.3 Ų105.387%0.86666%0.664SS**  trans-77.7109.615800000108.5G68G68-G70 PolarHBondContact O-N 3.36Å
71G28.7Very low44.5Very low72 Ų72108.6 Ų108.674%0.74269%0.693SS**  trans-116.2113.3171.700000110.3H69H69-G71 PolarHBondContact O-N 3.15Å
72D30.6Very low42Very low156 Ų156113.8 Ų113.883%0.83473%0.731SS**  trans-63.9143165.5-138-9.8000110S74D72-S74 PolarHBondContact O-N 3.41Å
73P34Very low39.8Very low118 Ų118118.3 Ų118.377%0.76675%0.75SS**SBendtrans-94.493.1-176.834.1-26.6000111.1
74S32.5Very low38.9Very low103 Ų103116.5 Ų116.572%0.7275%0.752SS**  trans-169.494.315447.20000112.4D72D72-S74 PolarHBondContact O-N 3.41Å
75S30.6Very low37.2Very low126 Ų126117.3 Ų117.388%0.88177%0.767SS**  trans176.5132.6144.426.40000110.3
76E29.8Very low35.8Very low186 Ų186120.4 Ų120.487%0.86977%0.774SS**  trans-67.3161.3-179-74.6-160.9141.800114.3
77P34.7Very low34.4Very low118 Ų118127.4 Ų127.477%0.76680%0.799SS**  trans-95131.9176.535.7-27.2000112
78T27.7Very low33.6Very low147 Ų147125.5 Ų125.590%0.90280%0.799SS**  trans-124122.2154.86.60000108.2
79S31.4Very low33.8Very low106 Ų106127.3 Ų127.374%0.74180%0.799SS**  trans-80.7-175.3170.7-40.10000110.1
80P51.4Low33.9Very low121 Ų121129 Ų12979%0.78680%0.797SS**  cis-136.6-175.4-12.929.9-6.8000114.4
81A26.4Very low33.7Very low87 Ų87132.8 Ų132.872%0.71980%0.796SS**  trans82.1119147.600000119.5
82S29.8Very low33.9Very low125 Ų125134.1 Ų134.187%0.87480%0.795SS**  -176.8138.2111.2-73.30000110.9
83T31.2Very low33.9Very low135 Ų135137.7 Ų137.783%0.82880%0.796SS**  trans-80.7-161.4178.351.30000111.3
84P56.4Low33.8Very low114 Ų114143 Ų14374%0.7480%0.801SS**  -119.6173.7-10633.6-12.7000111.6
85S27.5Very low33.6Very low103 Ų103144.2 Ų144.272%0.7280%0.804SS**  trans179.7114.7144.1-960000111.8
86T29.3Very low33.8Very low124 Ų124144.9 Ų144.976%0.76180%0.797SS**  83.2118.4105.7660000113.2
87R31.2Very low34.4Very low242 Ų242141.8 Ų141.891%0.91379%0.793SS**  149.8123.299.4-147.5171.8-170.5-167.31.8108.9
88S29.1Very low34.3Very low107 Ų107144.8 Ų144.875%0.74879%0.794SS**  trans-61-170.6170.4-37.30000111.9
89P46.2Very low35.6Very low108 Ų108142.9 Ų142.970%0.70178%0.784SS**  cis-144.1164.7-0.227.8-2.6000117.6
90R35.5Very low35.5Very low227 Ų227144 Ų14486%0.85778%0.782SS**  trans37.2136.8134.5-59178.8177.3-175.3-0.8121.1
91L33.6Very low34.6Very low163 Ų163148.6 Ų148.685%0.85378%0.784SS**  -167.7106.7114.2-93.1158.9000107.9
92S32.4Very low34.8Very low101 Ų101151.5 Ų151.571%0.70679%0.786SS**  60.8115.893.2-54.90000113.9
93R30.4Very low34.7Very low230 Ų230152 Ų15287%0.86878%0.78SS**  -174.5116.983.5-176.9177.8-71.1-123.70.4109.1
94R32.5Very low34.9Very low230 Ų230155.2 Ų155.287%0.86878%0.776SS**  51.1132.9103.9-95.4-176.2-175.6-170.32.4114.1
95T28.7Very low33.7Very low129 Ų129156 Ų15679%0.79177%0.774SS**  cis-170.2158.145.7-8.30000112.6
96L35.2Very low33.9Very low140 Ų140157.7 Ų157.773%0.73377%0.774SS**  trans-76.6162.9172.2-142.487.4000112.6K98L96-K98 HydrophobicContact CD2-CG 4.19Å
97P42.4Very low33.9Very low121 Ų121160.9 Ų160.979%0.78678%0.777SS**  -144136.992.225.6-4000114
98K31.5Very low33.8Very low181 Ų181155.4 Ų155.479%0.78778%0.776SS**  89.1158.879.9-103.1-167.7-172.6-178.10114.3L96L96-K98 HydrophobicContact CD2-CG 4.19Å
99P54.8Low33.8Very low106 Ų106153.2 Ų153.269%0.68877%0.771SS**  -129179.6-118.640.5-22.4000114.9
100D29.2Very low33Very low130 Ų130158.6 Ų158.670%0.69578%0.783SS**  trans-172.6123.9139.5-104.4-18.2000113
101R32.4Very low32.8Very low218 Ų218151 Ų15182%0.82378%0.775SS**  66.7110.5115.9-70.2176.2-174.7-148-3.5115.5
102L30.8Very low32.8Very low147 Ų147149.5 Ų149.577%0.7777%0.773SS**  cis78.9102.344.4-145.8115000115.4
103D28.9Very low32.6Very low137 Ų137155.5 Ų155.573%0.73378%0.782SS**  179.6125.3127.7-97.6-22.9000109.3
104R35.3Very low33.3Very low202 Ų202150.4 Ų150.476%0.76278%0.779SS**  65.4136.467.5-78-170.8173.2-166.73.1112.2
105L31.7Very low33.2Very low131 Ų131142.9 Ų142.969%0.68677%0.773SS**  cis-166.1161.18.6-93.8155.6000106
106L31Very low33.9Very low138 Ų138149 Ų14972%0.72378%0.781SS**  178.111895.8-85164.7000110.2
107K29.3Very low33.8Very low190 Ų190151.9 Ų151.983%0.82679%0.788SS**  75.1117.5111.7-78.7-174.2-172.3172.40118.5
108S29.9Very low33.5Very low127 Ų127157.8 Ų157.889%0.88880%0.795SS**  -163.9145.710459.90000109.4
109G28.7Very low33.6Very low62 Ų62153 Ų15364%0.63980%0.796SS**  trans-127166.2-178.100000112
110F29.6Very low32.6Very low221 Ų221152.2 Ų152.297%0.96980%0.799SS**  trans-156.6143.2152.7-97.6-79.4000109.2
111G30.8Very low33.2Very low67 Ų67154.1 Ų154.169%0.69181%0.808SS**  trans-67.2174.3-174.200000114.9
112T32.9Very low33.6Very low132 Ų132152 Ų15281%0.8181%0.807SS**  -168.8147.952.639.20000111.4
113Y28.9Very low34.4Very low226 Ų226148.3 Ų148.389%0.88679%0.792SS**  trans40.5146.8162.1-74.1-86.7000124.8
114P44.1Very low35.8Very low124 Ų124148.9 Ų148.981%0.80579%0.79SS**  trans-96.5116.5-156.936-29.4000114
115G31.9Very low37.3Very low71 Ų71142.9 Ų142.973%0.73278%0.776SS**  trans-105.1109168.800000111.4K117G115-K117 PolarHBondContact O-N 2.87Å
116R42.2Very low39.6Very low257 Ų257138.1 Ų138.197%0.9775%0.75SS**  trans-49105169.8-167.1-174.5-141.3-153.85.5110.8
117K33Very low42.1Very low202 Ų202134.7 Ų134.788%0.87873%0.732SS**  trans-113.8134.8163.3-82.6-171.3177.8179.10110G115G115-K117 PolarHBondContact O-N 2.87Å
118R36.1Very low44.7Very low245 Ų245125.7 Ų125.793%0.92569%0.692SS**  trans-47.7144.1-177.3-65.4171.7-162.4-163.51.1111.3A120R118-A120 PolarHBondContact O-N 3.01Å; R118-A120 VanDerWaalsContact O-N 3.15Å
119G33.1Very low47.4Very low79 Ų79121.4 Ų121.481%0.81466%0.662SS**  trans-49.3118.5175.800000111.7L121G119-L121 PolarHBondContact O-N 3.38Å
120A34.3Very low50.2Low91 Ų91118.6 Ų118.675%0.75263%0.632SS**  trans-72.3115162.400000107R118 H122R118-A120 PolarHBondContact O-N 3.01Å; R118-A120 VanDerWaalsContact O-N 3.15Å; A120-H122 PolarHBondContact O-N 2.9Å; A120-H122 VanDerWaalsContact O-N 3.16Å
121L41.4Very low52.9Low170 Ų170110.8 Ų110.889%0.8960%0.604SS**PPolyproline II helixtrans-53.6119.1158.6-74.7157.7000106.4G119G119-L121 PolarHBondContact O-N 3.38Å
122H41.2Very low55.4Low174 Ų174109.9 Ų109.981%0.80659%0.59SS**PPolyproline II helixtrans-56.1128.7170.4-117.973.1000107.7A120 Q124A120-H122 PolarHBondContact O-N 2.9Å; A120-H122 VanDerWaalsContact O-N 3.16Å; H122-Q124 PolarHBondContact O-N 3.01Å; H122-Q124 VanDerWaalsContact O-N 3.14Å
123P48.6Very low58Low68 Ų68106.4 Ų106.444%0.44257%0.57SS.*PPolyproline II helixtrans-62120.1172.920.2-24.5000108.2V125 E141P123-V125 PolarHBondContact O-N 2.94Å; P123-V125 VanDerWaalsContact O-N 3.14Å; P123-E141 HydrophobicContact CB-CG 3.73Å; P123-E141 WeakPolarHBondContact CB-OE1 3.15Å
124Q58.3Low60.6Low150 Ų150104.5 Ų104.570%0.70157%0.569SS**  trans-68.3112176.3-68.9-127.8-5.200108.4H122 I126H122-Q124 PolarHBondContact O-N 3.01Å; H122-Q124 VanDerWaalsContact O-N 3.14Å; Q124-I126 PolarHBondContact O-N 2.97Å
125V66.4Low62.5Low75 Ų75100 Ų10046%0.45555%0.545SS..  trans-76.7111.8174.5-178.30000107.6P123 M127 E138P123-V125 PolarHBondContact O-N 2.94Å; P123-V125 VanDerWaalsContact O-N 3.14Å; V125-M127 HydrophobicContact CG1-SD 4.03Å; V125-M127 PolarHBondContact O-N 2.98Å; V125-E138 HydrophobicContact CG1-CB 4.18Å; V125-E138 HydrophobicContact CG1-CG 3.79Å
126I80.7Confident65.1Low31 Ų31101.8 Ų101.816%0.15954%0.538CS..  trans-81.4114.8178.1-58.2170.3000108.3L61 Y66 Q124 L139L61-I126 HydrophobicContact CD2-CG2 3.91Å; Y66-I126 HydrophobicContact CE1-CG1 4.29Å; Y66-I126 HydrophobicContact CE2-CG2 4.38Å; Q124-I126 PolarHBondContact O-N 2.97Å; I126-L139 HydrophobicContact CB-CB 4.38Å; I126-L139 HydrophobicContact CG2-CD1 4.23Å; I126-L139 PolarHBondContact O-N 2.77Å
127M81.9Confident67.1Low67 Ų6790.2 Ų90.233%0.3350%0.496SS..EExtended strand (participates in β ladder)trans-88.2135172.3-56.9-56.8-67.500110V125 D136 E138V125-M127 HydrophobicContact CG1-SD 4.03Å; V125-M127 PolarHBondContact O-N 2.98Å; M127-D136 HydrophobicContact CE-CB 3.71Å; M127-E138 HydrophobicContact CE-CG 3.78Å; M127-E138 HydrophobicContact SD-CB 4.42Å; M127-E138 HydrophobicContact SD-CG 3.41Å; M127-E138 WeakPolarHBondContact SD-CG 3.43Å
128F85.3Confident69.5Low0 Ų086.7 Ų86.70%048%0.483CS..EExtended strand (participates in β ladder)trans-121.7119177.1-178.9-86.8000110.5L46 V52 A57 V60 L61 C130 V137 L139L46-F128 HydrophobicContact CD1-CD1 3.97Å; L46-F128 HydrophobicContact CD1-CE1 3.63Å; L46-F128 HydrophobicContact CD2-CD1 3.75Å; L46-F128 HydrophobicContact CD2-CE1 3.82Å; L46-F128 HydrophobicContact CD2-CG 4.35Å; L46-F128 HydrophobicContact CD2-CZ 4.47Å; L46-F128 HydrophobicContact CG-CE1 4.4Å; V52-F128 HydrophobicContact CG1-CZ 4.29Å; A57-F128 HydrophobicContact CB-CE2 4.17Å; A57-F128 HydrophobicContact CB-CZ 4.37Å; V60-F128 HydrophobicContact CB-CE2 3.86Å; V60-F128 HydrophobicContact CB-CZ 4.12Å; V60-F128 HydrophobicContact CG1-CD2 4.3Å; V60-F128 HydrophobicContact CG1-CE2 3.67Å; V60-F128 HydrophobicContact CG1-CZ 3.88Å; L61-F128 HydrophobicContact CD1-CD2 4.36Å; L61-F128 HydrophobicContact CD2-CB 4.47Å; L61-F128 HydrophobicContact CD2-CD2 3.75Å; L61-F128 HydrophobicContact CG-CD2 3.78Å; L61-F128 HydrophobicContact CG-CE2 4.2Å; F128-C130 PolarHBondContact O-N 2.92Å; F128-V137 PolarHBondContact N-O 2.94Å; F128-V137 PolarHBondContact O-N 2.9Å; F128-L139 HydrophobicContact CB-CD1 3.65Å; F128-L139 HydrophobicContact CB-CD2 3.93Å; F128-L139 HydrophobicContact CB-CG 3.68Å; F128-L139 HydrophobicContact CD2-CD1 4.12Å; F128-L139 HydrophobicContact CG-CD1 4.15Å; F128-L139 HydrophobicContact CG-CD2 4.5Å
129P86.8Confident71.6Confident37 Ų3775.7 Ų75.724%0.2444%0.442CS..EExtended strand (participates in β ladder)trans-74.9114.5177.332.2-35.5000108.5V60 P131 D136V60-P129 HydrophobicContact CG1-CG 3.8Å; P129-P131 WeakPolarHBondContact O-CD 3.36Å; P129-D136 WeakPolarHBondContact CA-OD1 3.5Å; P129-D136 WeakPolarHBondContact CB-OD1 3.38Å
130C87.1Confident73.4Confident3 Ų373.5 Ų73.52%0.0242%0.42CS..  trans-77.7118.1178.4-177.50000110.4L46 F128 A132 C133 Q134 G135 V137L46-C130 HydrophobicContact CD1-CB 4.16Å; F128-C130 PolarHBondContact O-N 2.92Å; C130-A132 PolarHBondContact O-N 2.85Å; C130-C133 VanDerWaalsContact CB-SG 3.53Å; C130-Q134 WeakPolarHBondContact O-CA 3.34Å; C130-Q134 PolarHBondContact O-N 3.42Å; C130-G135 WeakPolarHBondContact CB-O 3.44Å; C130-G135 PolarHBondContact N-O 2.99Å; C130-V137 HydrophobicContact CB-CG2 3.94Å
131P85.1Confident75Confident57 Ų5776.6 Ų76.637%0.3742%0.418SS..THydrogen-bonded Turntrans-67.5-20.4-179.2-21.535.6000113.6P34 V35 P129P34-P131 HydrophobicContact CB-CB 4.35Å; P34-P131 HydrophobicContact CG-CB 4.47Å; V35-P131 HydrophobicContact CG2-CB 4.36Å; V35-P131 HydrophobicContact CG2-CG 3.71Å; P129-P131 WeakPolarHBondContact O-CD 3.36Å
132A84.5Confident76.3Confident49 Ų4975.2 Ų75.241%0.40540%0.401SS..THydrogen-bonded Turntrans-83.5-38.7-17800000113.2P34 H50 C130P34-A132 HydrophobicContact CG-CB 4.41Å; H50-A132 HydrophobicContact CB-CB 3.99Å; H50-A132 VanDerWaalsContact CD2-CB 3.41Å; H50-A132 WeakPolarHBondContact CD2-CB 3.35Å; C130-A132 PolarHBondContact O-N 2.85Å
133C86.8Confident78.1Confident59 Ų5967.1 Ų67.140%0.39937%0.366SS..THydrogen-bonded Turntrans-109.50.3179.870.80000114.6C130 G135C130-C133 VanDerWaalsContact CB-SG 3.53Å; C133-G135 PolarHBondContact O-N 2.95Å; C133-G135 VanDerWaalsContact O-N 3.11Å
134Q85.1Confident79.6Confident185 Ų18565.2 Ų65.286%0.86435%0.351SS*.  trans57.921179.8-54.6179.33.900114.7C130C130-Q134 WeakPolarHBondContact O-CA 3.34Å; C130-Q134 PolarHBondContact O-N 3.42Å
135G83.6Confident80.5Confident29 Ų2962 Ų6230%0.29935%0.35SS..  trans-116.9152179.600000112.8C130 C133C130-G135 WeakPolarHBondContact CB-O 3.44Å; C130-G135 PolarHBondContact N-O 2.99Å; C133-G135 PolarHBondContact O-N 2.95Å; C133-G135 VanDerWaalsContact O-N 3.11Å
136D85Confident80.8Confident110 Ų11059.6 Ų59.659%0.58834%0.341SS*.EExtended strand (participates in β ladder)trans-81.7133.4177.7-68.5-39.5000112M127 P129M127-D136 HydrophobicContact CE-CB 3.71Å; P129-D136 WeakPolarHBondContact CA-OD1 3.5Å; P129-D136 WeakPolarHBondContact CB-OD1 3.38Å
137V85.4Confident80.9Confident13 Ų1359.2 Ų59.28%0.07934%0.339CS..EExtended strand (participates in β ladder)trans-122.4127.1-171.9-170.60000111P47 C48 F128 C130 L139P47-V137 HydrophobicContact CB-CG1 3.47Å; P47-V137 VanDerWaalsContact CB-CG1 3.47Å; P47-V137 VanDerWaalsContact CD-CG1 3.46Å; P47-V137 HydrophobicContact CG-CG1 3.54Å; C48-V137 HydrophobicContact CB-CG2 3.78Å; F128-V137 PolarHBondContact N-O 2.94Å; F128-V137 PolarHBondContact O-N 2.9Å; C130-V137 HydrophobicContact CB-CG2 3.94Å; V137-L139 PolarHBondContact O-N 2.88Å
138E83.7Confident80.9Confident128 Ų12858.4 Ų58.460%0.59833%0.334SS*.EExtended strand (participates in β ladder)trans-76116.4178.9-69.5177.2-165.700112.3V125 M127V125-E138 HydrophobicContact CG1-CB 4.18Å; V125-E138 HydrophobicContact CG1-CG 3.79Å; M127-E138 HydrophobicContact CE-CG 3.78Å; M127-E138 HydrophobicContact SD-CB 4.42Å; M127-E138 HydrophobicContact SD-CG 3.41Å; M127-E138 WeakPolarHBondContact SD-CG 3.43Å
139L78.8Confident80.7Confident15 Ų1562.4 Ų62.48%0.07935%0.349CS..  trans-89.9-8.5-179.4-58.9-172.9000114.2L46 P47 L61 I126 F128 V137 L144 L147L46-L139 HydrophobicContact CD2-CD2 4.24Å; P47-L139 HydrophobicContact CG-CD2 4.44Å; L61-L139 HydrophobicContact CD1-CD1 4.04Å; L61-L139 HydrophobicContact CD2-CD1 4.49Å; I126-L139 HydrophobicContact CB-CB 4.38Å; I126-L139 HydrophobicContact CG2-CD1 4.23Å; I126-L139 PolarHBondContact O-N 2.77Å; F128-L139 HydrophobicContact CB-CD1 3.65Å; F128-L139 HydrophobicContact CB-CD2 3.93Å; F128-L139 HydrophobicContact CB-CG 3.68Å; F128-L139 HydrophobicContact CD2-CD1 4.12Å; F128-L139 HydrophobicContact CG-CD1 4.15Å; F128-L139 HydrophobicContact CG-CD2 4.5Å; V137-L139 PolarHBondContact O-N 2.88Å; L139-L144 HydrophobicContact CD1-CD2 3.79Å; L139-L144 HydrophobicContact CD1-CG 4.42Å; L139-L147 HydrophobicContact CD2-CD1 4.04Å; L139-L147 HydrophobicContact CD2-CD2 4.12Å; L139-L147 HydrophobicContact CD2-CG 4.46Å
140G72.6Confident80.4Confident33 Ų3362.1 Ų62.134%0.3435%0.345SS..  trans69.7-173.2-17700000114.2R142 G143G140-R142 VanDerWaalsContact C-N 3.26Å; G140-R142 PolarHBondContact O-N 3.34Å; G140-G143 PolarHBondContact O-N 2.79Å; G140-G143 VanDerWaalsContact O-N 3.17Å
141E67.6Low80.1Confident155 Ų15563.8 Ų63.872%0.72435%0.354SS*.THydrogen-bonded Turntrans-65.5-21.6-169.2-62.9178.1-178.400114.9P123P123-E141 HydrophobicContact CB-CG 3.73Å; P123-E141 WeakPolarHBondContact CB-OE1 3.15Å
142R67.8Low79.9Confident141 Ų14165.4 Ų65.453%0.53236%0.363SS..THydrogen-bonded Turntrans-98.11.6179.6-66.4-165.1-111.8-133.4-3.6113.8G140 L144 A145 D229G140-R142 VanDerWaalsContact C-N 3.26Å; G140-R142 PolarHBondContact O-N 3.34Å; R142-L144 PolarHBondContact O-N 3.28Å; R142-A145 WeakPolarHBondContact O-CB 3.19Å; R142-A145 PolarHBondContact O-N 3.22Å; R142-A145 VanDerWaalsContact O-N 3.17Å; R142-D229 IonicContact CZ-OD1 3.49Å; R142-D229 VanDerWaalsContact CZ-OD1 3.25Å; R142-D229 IonicContact NE-OD1 3.63Å; R142-D229 PolarHBondContact NE-OD1 3.34Å; R142-D229 VanDerWaalsContact NH2-CB 3.34Å; R142-D229 VanDerWaalsContact NH2-CG 3.3Å; R142-D229 IonicContact NH2-OD1 2.97Å; R142-D229 PolarHBondContact NH2-OD1 2.93Å
143G79.7Confident79.7Confident5 Ų564.1 Ų64.15%0.05235%0.349CS..G310 helixtrans50.8-136.3-178.700000112.8G140 A145 G146G140-G143 PolarHBondContact O-N 2.79Å; G140-G143 VanDerWaalsContact O-N 3.17Å; G143-A145 PolarHBondContact O-N 2.82Å; G143-A145 VanDerWaalsContact O-N 3.16Å; G143-G146 PolarHBondContact O-N 2.5Å; G143-G146 VanDerWaalsContact O-N 3.09Å
144L79.9Confident79.3Confident27 Ų2763.1 Ų63.114%0.14134%0.339CS..G310 helixtrans-60.7-25.1-179.6-61.8177.4000114.3L44 A57 R58 L61 L139 R142 G146 L147L44-L144 HydrophobicContact CD1-CB 4.36Å; L44-L144 HydrophobicContact CD1-CD2 4.28Å; A57-L144 HydrophobicContact CB-CD1 3.88Å; A57-L144 HydrophobicContact CB-CD2 3.7Å; A57-L144 HydrophobicContact CB-CG 4.46Å; R58-L144 HydrophobicContact CB-CD1 4.31Å; R58-L144 HydrophobicContact CG-CD1 3.63Å; L61-L144 HydrophobicContact CD1-CD1 3.68Å; L61-L144 HydrophobicContact CD1-CD2 3.87Å; L61-L144 HydrophobicContact CD1-CG 3.49Å; L61-L144 VanDerWaalsContact CD1-CG 3.49Å; L139-L144 HydrophobicContact CD1-CD2 3.79Å; L139-L144 HydrophobicContact CD1-CG 4.42Å; R142-L144 PolarHBondContact O-N 3.28Å; L144-G146 PolarHBondContact O-N 2.81Å; L144-L147 HydrophobicContact CD2-CD1 3.89Å; L144-L147 PolarHBondContact O-N 3.01Å
145A77.3Confident78.8Confident82 Ų8260.5 Ų60.568%0.67832%0.321SS*.G310 helixtrans-71.5-17.5179.200000112.7R142 G143 L147R142-A145 WeakPolarHBondContact O-CB 3.19Å; R142-A145 PolarHBondContact O-N 3.22Å; R142-A145 VanDerWaalsContact O-N 3.17Å; G143-A145 PolarHBondContact O-N 2.82Å; G143-A145 VanDerWaalsContact O-N 3.16Å; A145-L147 VanDerWaalsContact C-N 3.33Å
146G73.3Confident78.6Confident25 Ų2561.1 Ų61.126%0.25832%0.319SS..G310 helixtrans-82.6-5.9173.600000114.4G143 L144G143-G146 PolarHBondContact O-N 2.5Å; G143-G146 VanDerWaalsContact O-N 3.09Å; L144-G146 PolarHBondContact O-N 2.81Å
147L82.6Confident78.4Confident23 Ų2356 Ų5612%0.1229%0.291CS..SBendtrans-89.5146.3-177-59.2-178.4000112.4L44 L46 P47 L139 L144 A145L44-L147 HydrophobicContact CB-CB 4.4Å; L44-L147 HydrophobicContact CB-CD1 4.29Å; L44-L147 HydrophobicContact CD1-CD1 4.35Å; L46-L147 HydrophobicContact CD2-CD1 3.89Å; P47-L147 HydrophobicContact CG-CD2 4.3Å; L139-L147 HydrophobicContact CD2-CD1 4.04Å; L139-L147 HydrophobicContact CD2-CD2 4.12Å; L139-L147 HydrophobicContact CD2-CG 4.46Å; L144-L147 HydrophobicContact CD2-CD1 3.89Å; L144-L147 PolarHBondContact O-N 3.01Å; A145-L147 VanDerWaalsContact C-N 3.33Å
148F80.2Confident77.8Confident51 Ų5158 Ų5822%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-76.4139.4172.7-74.2-81.8000110.9L44 V45 P228 V234 L244L44-F148 WeakPolarHBondContact CA-O 3.32Å; V45-F148 PolarHBondContact N-O 2.9Å; F148-P228 HydrophobicContact CD1-CG 4.14Å; F148-P228 HydrophobicContact CD2-CG 4.43Å; F148-P228 HydrophobicContact CE1-CG 3.96Å; F148-P228 HydrophobicContact CE2-CG 4.25Å; F148-P228 HydrophobicContact CG-CG 4.39Å; F148-P228 HydrophobicContact CZ-CG 4.01Å; F148-V234 HydrophobicContact CE1-CG1 3.97Å; F148-V234 HydrophobicContact CZ-CG1 4.13Å; F148-L244 HydrophobicContact CZ-CB 4.39Å
149R81.4Confident77.3Confident83 Ų8359.7 Ų59.731%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-79.5128.3168.6-155.8174.1156-172.3-10.3109.5Q42 P43 L44 L151 E154Q42-R149 VanDerWaalsContact CG-NH2 3.29Å; P43-R149 CarbonylContact O-C 3.6Å; P43-R149 WeakPolarHBondContact O-CA 3.49Å; P43-R149 WeakPolarHBondContact O-CG 3.21Å; L44-R149 HydrophobicContact CD2-CB 4.47Å; L44-R149 HydrophobicContact CD2-CG 4.46Å; R149-L151 VanDerWaalsContact C-N 3.35Å; R149-L151 PolarHBondContact O-N 2.91Å; R149-E154 IonicContact CZ-OE2 3.73Å; R149-E154 IonicContact NE-OE2 3.39Å; R149-E154 PolarHBondContact NE-OE2 3.18Å; R149-E154 VanDerWaalsContact NH2-CD 3.29Å; R149-E154 IonicContact NH2-OE1 3.65Å; R149-E154 PolarHBondContact NH2-OE1 2.99Å; R149-E154 IonicContact NH2-OE2 3.59Å; R149-E154 PolarHBondContact NH2-OE2 2.92Å
150N82.1Confident77.2Confident31 Ų3159.4 Ų59.417%0.16630%0.299CS..  trans-80.680.8-178.8-164.8-22.3000111.2P43 V45 N51 T152 L153 E154P43-N150 HydrophobicContact CB-CB 4.17Å; P43-N150 HydrophobicContact CG-CB 3.97Å; P43-N150 WeakPolarHBondContact CG-O 3.45Å; P43-N150 PolarHBondContact O-N 3.05Å; V45-N150 HydrophobicContact CG2-CB 3.61Å; N51-N150 PolarHBondContact OD1-ND2 3.34Å; N150-T152 PolarHBondContact O-N 2.85Å; N150-T152 PolarHBondContact OD1-N 2.89Å; N150-L153 HydrophobicContact CB-CB 4.03Å; N150-L153 VanDerWaalsContact CG-CB 3.44Å; N150-L153 PolarHBondContact O-N 3.46Å; N150-L153 PolarHBondContact OD1-N 2.88Å; N150-E154 PolarHBondContact O-N 2.95Å; N150-E154 VanDerWaalsContact O-N 3.09Å
151L80.3Confident77.3Confident39 Ų3961.9 Ų61.920%0.20430%0.298CS..Hα-helixtrans-63.4-25.5179-56.7-178.7000112.7R149 R155 L225R149-L151 VanDerWaalsContact C-N 3.35Å; R149-L151 PolarHBondContact O-N 2.91Å; L151-R155 WeakPolarHBondContact O-CG 3.3Å; L151-R155 PolarHBondContact O-N 2.86Å; L151-L225 HydrophobicContact CD1-CD2 3.63Å; L151-L225 HydrophobicContact CD1-CG 4.34Å; L151-L225 HydrophobicContact CG-CD2 3.97Å
152T79.6Confident77.4Confident90 Ų9060.1 Ų60.155%0.55229%0.29SS*.Hα-helixtrans-71.1-48177.7-56.50000110.8N150 E154 R155 V156N150-T152 PolarHBondContact O-N 2.85Å; N150-T152 PolarHBondContact OD1-N 2.89Å; T152-E154 VanDerWaalsContact C-N 3.3Å; T152-E154 PolarHBondContact O-N 2.83Å; T152-R155 WeakPolarHBondContact O-CB 3.46Å; T152-R155 PolarHBondContact O-N 3.44Å; T152-R155 VanDerWaalsContact O-N 3.11Å; T152-V156 HydrophobicContact CG2-CG2 4.5Å; T152-V156 VanDerWaalsContact O-CG2 3.3Å; T152-V156 WeakPolarHBondContact O-CG2 3.49Å; T152-V156 PolarHBondContact O-N 2.92Å
153L80.8Confident77.4Confident22 Ų2257 Ų5712%0.11529%0.289CS..Hα-helixtrans-62.4-39.7176.2-176.157.3000111.2L31 Y40 P43 N51 N150 R155 V156 V157L31-L153 HydrophobicContact CD2-CD1 3.87Å; Y40-L153 HydrophobicContact CD1-CD2 4.21Å; Y40-L153 HydrophobicContact CD2-CD1 4.08Å; Y40-L153 HydrophobicContact CD2-CD2 3.55Å; Y40-L153 HydrophobicContact CD2-CG 3.89Å; Y40-L153 HydrophobicContact CE1-CD2 4.36Å; Y40-L153 HydrophobicContact CE2-CD1 4.43Å; Y40-L153 HydrophobicContact CE2-CD2 3.76Å; Y40-L153 HydrophobicContact CE2-CG 4.44Å; Y40-L153 HydrophobicContact CG-CD2 3.81Å; Y40-L153 HydrophobicContact CG-CG 4.24Å; P43-L153 HydrophobicContact CB-CD2 3.97Å; P43-L153 HydrophobicContact CG-CB 4.17Å; P43-L153 HydrophobicContact CG-CD2 4.18Å; P43-L153 HydrophobicContact CG-CG 4.27Å; N51-L153 HydrophobicContact CB-CD2 3.63Å; N150-L153 HydrophobicContact CB-CB 4.03Å; N150-L153 VanDerWaalsContact CG-CB 3.44Å; N150-L153 PolarHBondContact O-N 3.46Å; N150-L153 PolarHBondContact OD1-N 2.88Å; L153-R155 VanDerWaalsContact C-N 3.32Å; L153-R155 PolarHBondContact O-N 3.22Å; L153-V156 PolarHBondContact O-N 2.94Å; L153-V156 VanDerWaalsContact O-N 3.17Å; L153-V157 HydrophobicContact CD1-CG2 4.41Å; L153-V157 WeakPolarHBondContact O-CB 3.43Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.36Å; L153-V157 PolarHBondContact O-N 3.25Å
154E79.1Confident76.7Confident39 Ų3960.4 Ų60.418%0.18231%0.309CS..Hα-helixtrans-59.2-41.1172.5-166.4169.4158.500111.9P43 R149 N150 T152 E158P43-E154 HydrophobicContact CG-CB 4.41Å; R149-E154 IonicContact CZ-OE2 3.73Å; R149-E154 IonicContact NE-OE2 3.39Å; R149-E154 PolarHBondContact NE-OE2 3.18Å; R149-E154 VanDerWaalsContact NH2-CD 3.29Å; R149-E154 IonicContact NH2-OE1 3.65Å; R149-E154 PolarHBondContact NH2-OE1 2.99Å; R149-E154 IonicContact NH2-OE2 3.59Å; R149-E154 PolarHBondContact NH2-OE2 2.92Å; N150-E154 PolarHBondContact O-N 2.95Å; N150-E154 VanDerWaalsContact O-N 3.09Å; T152-E154 VanDerWaalsContact C-N 3.3Å; T152-E154 PolarHBondContact O-N 2.83Å; E154-E158 WeakPolarHBondContact O-CB 3.4Å; E154-E158 PolarHBondContact O-N 3.35Å
155R74.9Confident75.8Confident130 Ų13062.5 Ų62.549%0.49133%0.325SS..Hα-helixtrans-68.5-35.3173.9-71.2169.5-164.9-176.73.8113.5L151 T152 L153 R159L151-R155 WeakPolarHBondContact O-CG 3.3Å; L151-R155 PolarHBondContact O-N 2.86Å; T152-R155 WeakPolarHBondContact O-CB 3.46Å; T152-R155 PolarHBondContact O-N 3.44Å; T152-R155 VanDerWaalsContact O-N 3.11Å; L153-R155 VanDerWaalsContact C-N 3.32Å; L153-R155 PolarHBondContact O-N 3.22Å; R155-R159 WeakPolarHBondContact O-CB 3.43Å; R155-R159 WeakPolarHBondContact O-CG 3.49Å; R155-R159 PolarHBondContact O-N 3.32Å
156V79.3Confident74.4Confident42 Ų4265.8 Ų65.826%0.25534%0.337SS..Hα-helixtrans-70.7-46.3179.2176.60000109.8L31 T152 L153 E158 R159 Y160L31-V156 HydrophobicContact CD1-CG1 4.41Å; L31-V156 HydrophobicContact CD2-CB 4.34Å; L31-V156 HydrophobicContact CD2-CG1 3.62Å; T152-V156 HydrophobicContact CG2-CG2 4.5Å; T152-V156 VanDerWaalsContact O-CG2 3.3Å; T152-V156 WeakPolarHBondContact O-CG2 3.49Å; T152-V156 PolarHBondContact O-N 2.92Å; L153-V156 PolarHBondContact O-N 2.94Å; L153-V156 VanDerWaalsContact O-N 3.17Å; V156-E158 VanDerWaalsContact C-N 3.29Å; V156-E158 PolarHBondContact O-N 2.68Å; V156-R159 PolarHBondContact O-N 3.02Å; V156-Y160 WeakPolarHBondContact O-CB 3.46Å; V156-Y160 PolarHBondContact O-N 3.47Å
157V80.1Confident73.3Confident2 Ų268.3 Ų68.31%0.01236%0.363CS..Hα-helixtrans-57.1-43.1173.3169.70000111.1L31 M39 L153 Y160 R161L31-V157 HydrophobicContact CB-CG2 4.15Å; L31-V157 HydrophobicContact CD2-CG2 4.02Å; M39-V157 HydrophobicContact CB-CG1 3.83Å; M39-V157 HydrophobicContact SD-CG1 4.27Å; L153-V157 HydrophobicContact CD1-CG2 4.41Å; L153-V157 WeakPolarHBondContact O-CB 3.43Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.36Å; L153-V157 PolarHBondContact O-N 3.25Å; V157-Y160 PolarHBondContact O-N 2.77Å; V157-R161 WeakPolarHBondContact O-CB 2.87Å; V157-R161 WeakPolarHBondContact O-CG 3.25Å; V157-R161 PolarHBondContact O-N 3.25Å
158E73.3Confident72.2Confident56 Ų5670.2 Ų70.226%0.26239%0.388SS..Hα-helixtrans-65.6-46.1178.6-171.863.3-155.800112.4E154 V156 Y160 R161 Q162E154-E158 WeakPolarHBondContact O-CB 3.4Å; E154-E158 PolarHBondContact O-N 3.35Å; V156-E158 VanDerWaalsContact C-N 3.29Å; V156-E158 PolarHBondContact O-N 2.68Å; E158-Y160 VanDerWaalsContact C-N 3.29Å; E158-Y160 PolarHBondContact O-N 3.36Å; E158-R161 WeakPolarHBondContact O-CB 3.47Å; E158-R161 PolarHBondContact O-N 2.87Å; E158-Q162 VanDerWaalsContact O-CG 3.28Å; E158-Q162 WeakPolarHBondContact O-CG 3.35Å; E158-Q162 PolarHBondContact O-N 2.88Å; E158-Q162 PolarHBondContact OE1-NE2 3.17Å; E158-Q162 VanDerWaalsContact OE1-NE2 3.15Å
159R72.9Confident71.4Confident162 Ų16270.1 Ų70.161%0.61140%0.397SS*.Hα-helixtrans-61.8-39.4175-76-173.6-64.81550.9111.6R155 V156 Q162 S163R155-R159 WeakPolarHBondContact O-CB 3.43Å; R155-R159 WeakPolarHBondContact O-CG 3.49Å; R155-R159 PolarHBondContact O-N 3.32Å; V156-R159 PolarHBondContact O-N 3.02Å; R159-Q162 PolarHBondContact O-N 2.98Å; R159-S163 WeakPolarHBondContact O-CB 2.85Å; R159-S163 PolarHBondContact O-N 3.32Å; R159-S163 PolarHBondContact O-OG 2.89Å
160Y76.4Confident71Confident10 Ų1068.7 Ų68.74%0.03940%0.395CS..Hα-helixtrans-62.9-47.1175.4-176.4-108000111.5M24 M27 E28 L31 M39 V156 V157 E158 Q162 S163 V164M24-Y160 PolarHBondContact O-OH 3.07Å; M27-Y160 HydrophobicContact CE-CD2 3.3Å; M27-Y160 HydrophobicContact CE-CE2 3.6Å; M27-Y160 HydrophobicContact CE-CG 4.43Å; E28-Y160 HydrophobicContact CB-CE1 4.24Å; E28-Y160 VanDerWaalsContact CB-OH 3.27Å; E28-Y160 WeakPolarHBondContact CB-OH 3.41Å; E28-Y160 HydrophobicContact CG-CE1 3.92Å; L31-Y160 HydrophobicContact CD1-CD1 3.71Å; L31-Y160 HydrophobicContact CD1-CD2 4.09Å; L31-Y160 HydrophobicContact CD1-CE1 4.42Å; L31-Y160 HydrophobicContact CD1-CG 3.49Å; L31-Y160 VanDerWaalsContact CD1-CG 3.49Å; M39-Y160 HydrophobicContact CE-CD1 3.64Å; M39-Y160 HydrophobicContact CE-CE1 3.52Å; M39-Y160 HydrophobicContact SD-CD1 4.32Å; V156-Y160 WeakPolarHBondContact O-CB 3.46Å; V156-Y160 PolarHBondContact O-N 3.47Å; V157-Y160 PolarHBondContact O-N 2.77Å; E158-Y160 VanDerWaalsContact C-N 3.29Å; E158-Y160 PolarHBondContact O-N 3.36Å; Y160-Q162 VanDerWaalsContact C-N 3.29Å; Y160-Q162 PolarHBondContact O-N 3.48Å; Y160-S163 VanDerWaalsContact CA-OG 3.3Å; Y160-S163 WeakPolarHBondContact CA-OG 3.12Å; Y160-S163 PolarHBondContact O-N 3.24Å; Y160-S163 VanDerWaalsContact O-N 3.12Å; Y160-S163 PolarHBondContact O-OG 2.66Å; Y160-V164 HydrophobicContact CD1-CG2 4.3Å; Y160-V164 HydrophobicContact CD2-CG2 4.09Å; Y160-V164 HydrophobicContact CE1-CG2 3.91Å; Y160-V164 HydrophobicContact CE2-CG2 3.76Å; Y160-V164 HydrophobicContact CG-CG2 4.4Å; Y160-V164 WeakPolarHBondContact O-CB 3.31Å; Y160-V164 WeakPolarHBondContact O-CG2 3.22Å; Y160-V164 PolarHBondContact O-N 3.14Å
161R75.6Confident71Confident84 Ų8471.3 Ų71.332%0.31741%0.409SS..Hα-helixtrans-55.9-42.8173.6-80.5-177.9154.4128.25.4112.3M39 V157 E158 V164 S165M39-R161 HydrophobicContact SD-CG 3.64Å; V157-R161 WeakPolarHBondContact O-CB 2.87Å; V157-R161 WeakPolarHBondContact O-CG 3.25Å; V157-R161 PolarHBondContact O-N 3.25Å; E158-R161 WeakPolarHBondContact O-CB 3.47Å; E158-R161 PolarHBondContact O-N 2.87Å; R161-V164 PolarHBondContact O-N 3.26Å; R161-S165 WeakPolarHBondContact O-CA 3.5Å; R161-S165 WeakPolarHBondContact O-CB 3.24Å; R161-S165 PolarHBondContact O-N 3.22Å
162Q68.5Low71.2Confident119 Ų11969.7 Ų69.756%0.55640%0.4SS*.Hα-helixtrans-70.3-33.6177.7-69.5169.43.100112.6E158 R159 Y160E158-Q162 VanDerWaalsContact O-CG 3.28Å; E158-Q162 WeakPolarHBondContact O-CG 3.35Å; E158-Q162 PolarHBondContact O-N 2.88Å; E158-Q162 PolarHBondContact OE1-NE2 3.17Å; E158-Q162 VanDerWaalsContact OE1-NE2 3.15Å; R159-Q162 PolarHBondContact O-N 2.98Å; Y160-Q162 VanDerWaalsContact C-N 3.29Å; Y160-Q162 PolarHBondContact O-N 3.48Å
163S67.4Low71.2Confident74 Ų7470.4 Ų70.452%0.51740%0.397SS..Hα-helixtrans-74.8-26.4175.458.70000113.7R159 Y160R159-S163 WeakPolarHBondContact O-CB 2.85Å; R159-S163 PolarHBondContact O-N 3.32Å; R159-S163 PolarHBondContact O-OG 2.89Å; Y160-S163 VanDerWaalsContact CA-OG 3.3Å; Y160-S163 WeakPolarHBondContact CA-OG 3.12Å; Y160-S163 PolarHBondContact O-N 3.24Å; Y160-S163 VanDerWaalsContact O-N 3.12Å; Y160-S163 PolarHBondContact O-OG 2.66Å
164V66.7Low71.3Confident78 Ų7872.7 Ų72.747%0.47341%0.409SS..Hα-helixtrans-94.8-25.9179.1177.70000111.7Y160 R161Y160-V164 HydrophobicContact CD1-CG2 4.3Å; Y160-V164 HydrophobicContact CD2-CG2 4.09Å; Y160-V164 HydrophobicContact CE1-CG2 3.91Å; Y160-V164 HydrophobicContact CE2-CG2 3.76Å; Y160-V164 HydrophobicContact CG-CG2 4.4Å; Y160-V164 WeakPolarHBondContact O-CB 3.31Å; Y160-V164 WeakPolarHBondContact O-CG2 3.22Å; Y160-V164 PolarHBondContact O-N 3.14Å; R161-V164 PolarHBondContact O-N 3.26Å
165S59.8Low71.6Confident70 Ų7072.2 Ų72.249%0.4941%0.41SS..  trans-100.899178.7-170.40000111.4R161 G167R161-S165 WeakPolarHBondContact O-CA 3.5Å; R161-S165 WeakPolarHBondContact O-CB 3.24Å; R161-S165 PolarHBondContact O-N 3.22Å; S165-G167 PolarHBondContact O-N 3.15Å
166V47.4Very low71.5Confident151 Ų15175 Ų7592%0.91543%0.426SS*.SBendtrans-79.2103.8162.4-178.60000107.7
167G50.2Low71.2Confident78 Ų7878.8 Ų78.880%0.80445%0.451SS*.  trans101.228.6155.800000119.9S165 A169S165-G167 PolarHBondContact O-N 3.15Å; G167-A169 PolarHBondContact O-N 3.1Å
168G59.3Low70.6Confident63 Ų6384.2 Ų84.265%0.64949%0.486SS*.  trans-84.4106.4168.700000113.1
169A63.8Low70.8Confident50 Ų5084.3 Ų84.341%0.41349%0.492SS..PPolyproline II helixtrans-63.8131.7173.300000111.5G167 L171 E181G167-A169 PolarHBondContact O-N 3.1Å; A169-L171 PolarHBondContact O-N 2.9Å; A169-E181 HydrophobicContact CB-CB 4.5Å; A169-E181 HydrophobicContact CB-CG 3.92Å; A169-E181 WeakPolarHBondContact CB-OE1 3.45Å
170I72.9Confident71.3Confident53 Ų5381.2 Ų81.227%0.27249%0.487SS..PPolyproline II helixtrans-73.1120.7176.3-63.5175.2000108.1A182 T192 P216 L218I170-A182 HydrophobicContact CG2-CB 4.33Å; I170-A182 WeakPolarHBondContact O-CB 3.4Å; I170-A182 PolarHBondContact O-N 2.72Å; I170-T192 HydrophobicContact CG2-CG2 3.98Å; I170-P216 HydrophobicContact CB-CB 4.2Å; I170-P216 HydrophobicContact CD1-CB 4.34Å; I170-P216 WeakPolarHBondContact CD1-O 3.49Å; I170-P216 HydrophobicContact CG2-CB 4.03Å; I170-L218 HydrophobicContact CG2-CD2 3.96Å; I170-L218 HydrophobicContact CG2-CG 4.06Å
171L82.1Confident71.5Confident86 Ų8686.6 Ų86.645%0.4551%0.512SS..BIsolated β-bridgetrans-89.7154.8-173.9-54.6176.4000112.8A169 P179 T192A169-L171 PolarHBondContact O-N 2.9Å; L171-P179 HydrophobicContact CB-CB 4.36Å; L171-P179 HydrophobicContact CB-CG 4.5Å; L171-P179 HydrophobicContact CD1-CG 4.03Å; L171-T192 PolarHBondContact O-OG1 3.26Å
172C84Confident71.9Confident4 Ų482.8 Ų82.83%0.02750%0.499CS..PPolyproline II helixtrans-70.4128.9173.3179.60000110.1L174 C175 L180 C194C172-L174 VanDerWaalsContact C-N 3.29Å; C172-L174 PolarHBondContact O-N 2.88Å; C172-C175 HydrophobicContact CB-CB 4.39Å; C172-C175 PolarHBondContact SG-SG 3.46Å; C172-L180 VanDerWaalsContact CB-O 3.25Å; C172-L180 WeakPolarHBondContact CB-O 3.44Å; C172-L180 PolarHBondContact N-O 3.29Å; C172-C194 HydrophobicContact CB-CB 3.97Å; C172-C194 PolarHBondContact SG-N 2.94Å
173Q80.8Confident72.5Confident105 Ų10580.1 Ų80.149%0.49149%0.491SS..SBendtrans-83.5-4.9-175.9-65.7172.427.400113.7T192Q173-T192 PolarHBondContact N-O 3.05Å; Q173-T192 PolarHBondContact NE2-OG1 3.24Å
174L82.4Confident73.2Confident70 Ų7079.8 Ų79.837%0.36648%0.48SS..SBendtrans-120.7-3.7-171.4-72.9157.1000113.9C172 F193 C197 F201C172-L174 VanDerWaalsContact C-N 3.29Å; C172-L174 PolarHBondContact O-N 2.88Å; L174-F193 HydrophobicContact CD1-CD1 3.34Å; L174-F193 HydrophobicContact CD1-CE1 3.04Å; L174-F193 HydrophobicContact CD1-CG 4.49Å; L174-F193 HydrophobicContact CD1-CZ 4Å; L174-C197 HydrophobicContact CB-CB 4.2Å; L174-F201 HydrophobicContact CD1-CD2 4.03Å; L174-F201 HydrophobicContact CD1-CE2 4.14Å; L174-F201 HydrophobicContact CD1-CG 4.28Å; L174-F201 HydrophobicContact CD1-CZ 4.47Å; L174-F201 HydrophobicContact CD2-CD2 4.49Å; L174-F201 HydrophobicContact CD2-CE2 3.85Å; L174-F201 HydrophobicContact CD2-CZ 4.11Å
175C85Confident73.9Confident29 Ų2976.1 Ų76.120%0.19646%0.458CS..SBendtrans-70.7142.3173.2-73.70000110.4C172 P179 C197C172-C175 HydrophobicContact CB-CB 4.39Å; C172-C175 PolarHBondContact SG-SG 3.46Å; C175-P179 HydrophobicContact CB-CB 4.26Å; C175-C197 VanDerWaalsContact SG-SG 3.64Å
176K74.5Confident74.9Confident189 Ų18972.8 Ų72.882%0.82243%0.434SS*.SBendtrans-66.2145.2162.6-67.2-177.3-179.9179.60108.7P178K176-P178 CarbonylContact O-C 3.58Å
177P72.2Confident76.1Confident122 Ų12268.3 Ų68.379%0.79241%0.408SS*.SBendtrans-58.8138.6-176.7-21.731.5000112.4
178P66.9Low77.4Confident115 Ų11569.8 Ų69.875%0.74739%0.394SS*.SBendcis-79137.20.631.1-32.9000112.9K176K176-P178 CarbonylContact O-C 3.58Å
179P77.1Confident78.3Confident58 Ų5868.5 Ų68.538%0.37737%0.374SS..PPolyproline II helixtrans-71.1133.3-17929-34000112.1L171 C175L171-P179 HydrophobicContact CB-CB 4.36Å; L171-P179 HydrophobicContact CB-CG 4.5Å; L171-P179 HydrophobicContact CD1-CG 4.03Å; C175-P179 HydrophobicContact CB-CB 4.26Å
180L83.3Confident78.9Confident97 Ų9775.1 Ų75.151%0.50839%0.389SS..PPolyproline II helixtrans-77.3158.8176.7-64174.2000111.5C172 A182 C194C172-L180 VanDerWaalsContact CB-O 3.25Å; C172-L180 WeakPolarHBondContact CB-O 3.44Å; C172-L180 PolarHBondContact N-O 3.29Å; L180-A182 PolarHBondContact O-N 3.17Å; L180-C194 HydrophobicContact CB-CB 4.14Å
181E82.5Confident79.2Confident123 Ų12373.2 Ų73.258%0.57538%0.381SS*.BIsolated β-bridgetrans-59.1131.4170.6-174.8168.7-16600110.7A169A169-E181 HydrophobicContact CB-CB 4.5Å; A169-E181 HydrophobicContact CB-CG 3.92Å; A169-E181 WeakPolarHBondContact CB-OE1 3.45Å
182A82.5Confident79.2Confident5 Ų569.1 Ų69.14%0.04136%0.359CS..PPolyproline II helixtrans-73.8132.6174.800000109.2I170 L180 F193 P216I170-A182 HydrophobicContact CG2-CB 4.33Å; I170-A182 WeakPolarHBondContact O-CB 3.4Å; I170-A182 PolarHBondContact O-N 2.72Å; L180-A182 PolarHBondContact O-N 3.17Å; A182-F193 CarbonylContact C-O 3.47Å; A182-F193 WeakPolarHBondContact CA-O 3.35Å; A182-P216 HydrophobicContact CB-CB 3.96Å; A182-P216 HydrophobicContact CB-CG 4.24Å; A182-P216 WeakPolarHBondContact O-CG 3.4Å
183T81.3Confident79.2Confident63 Ų6369 Ų6939%0.38736%0.358SS..  trans-109.6-16.3177.2540000111.9F193 N195 P216T183-F193 PolarHBondContact N-O 3.49Å; T183-N195 PolarHBondContact OG1-N 3.23Å; T183-N195 VanDerWaalsContact OG1-N 3.09Å; T183-N195 PolarHBondContact OG1-ND2 2.82Å; T183-N195 PolarHBondContact OG1-OD1 2.8Å; T183-P216 VanDerWaalsContact C-CG 3.42Å
184K82.2Confident79.5Confident67 Ų6764.2 Ų64.229%0.29134%0.337SS..EExtended strand (participates in β ladder)trans-135.6143.3179-59.3-171.2177.1-163.90111.3F193 N195 F198 P213K184-F193 PolarHBondContact N-O 3.24Å; K184-F193 PolarHBondContact O-N 3.37Å; K184-F193 VanDerWaalsContact O-O 3.1Å; K184-N195 VanDerWaalsContact CE-OD1 3.29Å; K184-N195 WeakPolarHBondContact CE-OD1 3.48Å; K184-F198 HydrophobicContact CB-CB 4.47Å; K184-F198 HydrophobicContact CB-CD2 3.79Å; K184-F198 HydrophobicContact CB-CE2 4.29Å; K184-F198 HydrophobicContact CB-CG 4.14Å; K184-F198 HydrophobicContact CD-CB 4.21Å; K184-F198 HydrophobicContact CD-CD1 3.78Å; K184-F198 HydrophobicContact CD-CD2 4.13Å; K184-F198 HydrophobicContact CD-CE1 4.19Å; K184-F198 HydrophobicContact CD-CG 3.75Å; K184-P213 HydrophobicContact CD-CB 4.23Å
185G81Confident79.6Confident0 Ų064.5 Ų64.50%034%0.339CS..EExtended strand (participates in β ladder)trans-111.7159.5165.700000110.5T214G185-T214 PolarHBondContact N-O 3.43Å; G185-T214 PolarHBondContact O-N 3.33Å; G185-T214 PolarHBondContact O-OG1 3.34Å
186C81.9Confident79.5Confident0 Ų069.8 Ų69.80%036%0.36CS..EExtended strand (participates in β ladder)trans-134.8118.3168.4174.90000108.8E188 C189 R190 A191 F193 F198 H211 F220C186-E188 VanDerWaalsContact C-N 3.26Å; C186-E188 PolarHBondContact O-N 3.3Å; C186-C189 HydrophobicContact CB-CB 3.91Å; C186-C189 PolarHBondContact SG-N 3.48Å; C186-R190 WeakPolarHBondContact O-CA 3.3Å; C186-R190 PolarHBondContact O-N 3.27Å; C186-A191 PolarHBondContact N-O 3.22Å; C186-A191 VanDerWaalsContact N-O 3.12Å; C186-A191 PolarHBondContact O-N 3.24Å; C186-F193 HydrophobicContact CB-CE2 3.89Å; C186-F198 HydrophobicContact CB-CE2 4.31Å; C186-H211 VanDerWaalsContact SG-CB 3.53Å; C186-H211 PolarHBondContact SG-ND1 3.47Å; C186-F220 WeakPolarHBondContact O-CD1 3.46Å; C186-F220 VanDerWaalsContact O-CE1 3.27Å; C186-F220 WeakPolarHBondContact O-CE1 3.47Å
187T72.8Confident80Confident58 Ų5861.6 Ų61.636%0.35633%0.327SS..THydrogen-bonded Turntrans-67.1-28.2-178.749.10000113.1R190 T214 F220T187-R190 WeakPolarHBondContact O-CG 3.22Å; T187-T214 HydrophobicContact CG2-CG2 3.87Å; T187-F220 HydrophobicContact CG2-CD1 4.13Å
188E77.6Confident80.6Confident109 Ų10956.7 Ų56.751%0.50929%0.293SS..THydrogen-bonded Turntrans-80.7-43.9179-70.2152.8-161.900111.5C186 R190 H211C186-E188 VanDerWaalsContact C-N 3.26Å; C186-E188 PolarHBondContact O-N 3.3Å; E188-R190 VanDerWaalsContact C-N 3.28Å; E188-R190 PolarHBondContact O-N 2.94Å; E188-H211 WeakPolarHBondContact OE2-CA 3.33Å; E188-H211 WeakPolarHBondContact OE2-CB 3.41Å; E188-H211 IonicContact OE2-CD2 2.81Å; E188-H211 PolarHBondContact OE2-CD2 3.14Å; E188-H211 IonicContact OE2-CG 2.95Å; E188-H211 IonicContact OE2-ND1 3.77Å; E188-H211 IonicContact OE2-NE2 2.69Å
189C77.1Confident81.3Confident36 Ų3658.2 Ų58.224%0.24329%0.288CS..THydrogen-bonded Turntrans-77-13.4173.4-69.80000113.6C186 A191 F193 H202 H211C186-C189 HydrophobicContact CB-CB 3.91Å; C186-C189 PolarHBondContact SG-N 3.48Å; C189-A191 PolarHBondContact O-N 3.49Å; C189-F193 HydrophobicContact CB-CE2 4.27Å; C189-F193 HydrophobicContact CB-CZ 4.02Å; C189-H202 PolarHBondContact SG-NE2 2.82Å; C189-H202 VanDerWaalsContact SG-NE2 3.36Å; C189-H211 PolarHBondContact SG-CE1 2.85Å; C189-H211 PolarHBondContact SG-ND1 2.9Å
190R76.3Confident81.7Confident189 Ų18962 Ų6271%0.71330%0.304SS*.THydrogen-bonded Turntrans49.839.2-176-57.3-177.3179.7173.31.9114C186 T187 E188 F220C186-R190 WeakPolarHBondContact O-CA 3.3Å; C186-R190 PolarHBondContact O-N 3.27Å; T187-R190 WeakPolarHBondContact O-CG 3.22Å; E188-R190 VanDerWaalsContact C-N 3.28Å; E188-R190 PolarHBondContact O-N 2.94Å; R190-F220 HydrophobicContact CB-CB 4.23Å; R190-F220 HydrophobicContact CB-CD2 3.82Å; R190-F220 HydrophobicContact CB-CG 4.13Å; R190-F220 HydrophobicContact CG-CB 4.01Å; R190-F220 HydrophobicContact CG-CG 4.41Å; R190-F220 WeakPolarHBondContact O-CD2 3.43Å; R190-F220 WeakPolarHBondContact O-CE2 3.45Å
191A79.6Confident81.5Confident13 Ų1361.8 Ų61.811%0.10730%0.299CS..EExtended strand (participates in β ladder)trans-138.6152.9-179.100000111.9C186 C189 F193 F220C186-A191 PolarHBondContact N-O 3.22Å; C186-A191 VanDerWaalsContact N-O 3.12Å; C186-A191 PolarHBondContact O-N 3.24Å; C189-A191 PolarHBondContact O-N 3.49Å; A191-F193 HydrophobicContact CB-CE1 4.38Å; A191-F193 HydrophobicContact CB-CE2 3.7Å; A191-F193 HydrophobicContact CB-CZ 3.62Å; A191-F193 VanDerWaalsContact O-CD2 3.29Å; A191-F193 WeakPolarHBondContact O-CD2 3.43Å; A191-F193 WeakPolarHBondContact O-CE2 3.17Å; A191-F220 VanDerWaalsContact N-CE2 3.27Å; A191-F220 VanDerWaalsContact N-CZ 3.33Å; A191-F220 WeakPolarHBondContact O-CZ 3.41Å
192T81.4Confident81.7Confident0 Ų056.6 Ų56.60%028%0.275CS..EExtended strand (participates in β ladder)trans-102.6136172.952.50000109.9I170 L171 Q173 P216 T217 F220I170-T192 HydrophobicContact CG2-CG2 3.98Å; L171-T192 PolarHBondContact O-OG1 3.26Å; Q173-T192 PolarHBondContact N-O 3.05Å; Q173-T192 PolarHBondContact NE2-OG1 3.24Å; T192-P216 HydrophobicContact CG2-CB 4.29Å; T192-T217 WeakPolarHBondContact CG2-O 3.24Å; T192-F220 HydrophobicContact CG2-CE2 4.44Å; T192-F220 HydrophobicContact CG2-CZ 3.75Å
193F84.1Confident81.6Confident0 Ų059.2 Ų59.20%029%0.292CS..EExtended strand (participates in β ladder)trans-129140.7-170-55-98.1000110.1L174 A182 T183 K184 C186 C189 A191 C197 F198 F201 H202L174-F193 HydrophobicContact CD1-CD1 3.34Å; L174-F193 HydrophobicContact CD1-CE1 3.04Å; L174-F193 HydrophobicContact CD1-CG 4.49Å; L174-F193 HydrophobicContact CD1-CZ 4Å; A182-F193 CarbonylContact C-O 3.47Å; A182-F193 WeakPolarHBondContact CA-O 3.35Å; T183-F193 PolarHBondContact N-O 3.49Å; K184-F193 PolarHBondContact N-O 3.24Å; K184-F193 PolarHBondContact O-N 3.37Å; K184-F193 VanDerWaalsContact O-O 3.1Å; C186-F193 HydrophobicContact CB-CE2 3.89Å; C189-F193 HydrophobicContact CB-CE2 4.27Å; C189-F193 HydrophobicContact CB-CZ 4.02Å; A191-F193 HydrophobicContact CB-CE1 4.38Å; A191-F193 HydrophobicContact CB-CE2 3.7Å; A191-F193 HydrophobicContact CB-CZ 3.62Å; A191-F193 VanDerWaalsContact O-CD2 3.29Å; A191-F193 WeakPolarHBondContact O-CD2 3.43Å; A191-F193 WeakPolarHBondContact O-CE2 3.17Å; F193-C197 HydrophobicContact CB-CB 4.44Å; F193-C197 HydrophobicContact CD1-CB 4.29Å; F193-F198 HydrophobicContact CB-CB 3.67Å; F193-F198 HydrophobicContact CB-CD2 4.06Å; F193-F198 HydrophobicContact CB-CG 4.38Å; F193-F198 AromaticContact CD2-CD2 3.8Å; F193-F198 HydrophobicContact CD2-CD2 3.8Å; F193-F198 HydrophobicContact CD2-CE2 4.47Å; F193-F198 HydrophobicContact CE2-CD2 4.44Å; F193-F198 HydrophobicContact CG-CB 4.21Å; F193-F198 AromaticContact CG-CD2 3.97Å; F193-F198 HydrophobicContact CG-CD2 3.97Å; F193-F201 HydrophobicContact CD1-CB 4.29Å; F193-F201 HydrophobicContact CE1-CB 3.65Å; F193-F201 HydrophobicContact CE1-CD1 4.08Å; F193-F201 AromaticContact CE1-CG 3.87Å; F193-F201 HydrophobicContact CE1-CG 3.87Å; F193-F201 HydrophobicContact CZ-CB 4.44Å; F193-F201 HydrophobicContact CZ-CD1 4.45Å; F193-H202 AromaticContact CE2-CE1 3.79Å; F193-H202 AromaticContact CZ-CE1 3.61Å
194C87.3Confident81.3Confident6 Ų668.2 Ų68.24%0.04132%0.319CS..  trans-70.1164.9156.573.40000109C172 L180 E196 C197 F198C172-C194 HydrophobicContact CB-CB 3.97Å; C172-C194 PolarHBondContact SG-N 2.94Å; L180-C194 HydrophobicContact CB-CB 4.14Å; C194-E196 PolarHBondContact O-N 3.13Å; C194-E196 VanDerWaalsContact O-N 3.14Å; C194-C197 PolarHBondContact O-N 2.8Å; C194-C197 PolarHBondContact SG-N 2.88Å; C194-C197 VanDerWaalsContact SG-N 3.37Å; C194-F198 WeakPolarHBondContact O-CB 3.48Å; C194-F198 PolarHBondContact O-N 2.77Å
195N84.6Confident80.9Confident76 Ų7668.4 Ų68.441%0.40634%0.339SS..Hα-helixtrans-56-33.8-178-80.4-32.9000113.6T183 K184 K199T183-N195 PolarHBondContact OG1-N 3.23Å; T183-N195 VanDerWaalsContact OG1-N 3.09Å; T183-N195 PolarHBondContact OG1-ND2 2.82Å; T183-N195 PolarHBondContact OG1-OD1 2.8Å; K184-N195 VanDerWaalsContact CE-OD1 3.29Å; K184-N195 WeakPolarHBondContact CE-OD1 3.48Å; N195-K199 WeakPolarHBondContact O-CG 3.33Å; N195-K199 PolarHBondContact O-N 3.47Å
196E82.6Confident80.8Confident139 Ų13971.1 Ų71.165%0.6536%0.356SS*.Hα-helixtrans-74.2-51.3178.5-65.2-169.5156.300112.1C194 F198 K199 L200C194-E196 PolarHBondContact O-N 3.13Å; C194-E196 VanDerWaalsContact O-N 3.14Å; E196-F198 PolarHBondContact O-N 2.91Å; E196-K199 PolarHBondContact O-N 3.25Å; E196-L200 WeakPolarHBondContact O-CG 3.49Å; E196-L200 PolarHBondContact O-N 2.88Å
197C85.3Confident80.5Confident17 Ų1779.1 Ų79.112%0.11539%0.393CS..Hα-helixtrans-61.4-32.6177.4-67.80000112L174 C175 F193 C194 L200 F201L174-C197 HydrophobicContact CB-CB 4.2Å; C175-C197 VanDerWaalsContact SG-SG 3.64Å; F193-C197 HydrophobicContact CB-CB 4.44Å; F193-C197 HydrophobicContact CD1-CB 4.29Å; C194-C197 PolarHBondContact O-N 2.8Å; C194-C197 PolarHBondContact SG-N 2.88Å; C194-C197 VanDerWaalsContact SG-N 3.37Å; C197-L200 PolarHBondContact O-N 2.92Å; C197-F201 WeakPolarHBondContact O-CB 3.42Å; C197-F201 PolarHBondContact O-N 2.77Å
198F84.5Confident80.8Confident19 Ų1980.9 Ų80.98%0.08340%0.396CS..Hα-helixtrans-63.3-46.9176.5-171.8-91.5000111.2K184 C186 F193 C194 E196 L200 F201 H202 P213K184-F198 HydrophobicContact CB-CB 4.47Å; K184-F198 HydrophobicContact CB-CD2 3.79Å; K184-F198 HydrophobicContact CB-CE2 4.29Å; K184-F198 HydrophobicContact CB-CG 4.14Å; K184-F198 HydrophobicContact CD-CB 4.21Å; K184-F198 HydrophobicContact CD-CD1 3.78Å; K184-F198 HydrophobicContact CD-CD2 4.13Å; K184-F198 HydrophobicContact CD-CE1 4.19Å; K184-F198 HydrophobicContact CD-CG 3.75Å; C186-F198 HydrophobicContact CB-CE2 4.31Å; F193-F198 HydrophobicContact CB-CB 3.67Å; F193-F198 HydrophobicContact CB-CD2 4.06Å; F193-F198 HydrophobicContact CB-CG 4.38Å; F193-F198 AromaticContact CD2-CD2 3.8Å; F193-F198 HydrophobicContact CD2-CD2 3.8Å; F193-F198 HydrophobicContact CD2-CE2 4.47Å; F193-F198 HydrophobicContact CE2-CD2 4.44Å; F193-F198 HydrophobicContact CG-CB 4.21Å; F193-F198 AromaticContact CG-CD2 3.97Å; F193-F198 HydrophobicContact CG-CD2 3.97Å; C194-F198 WeakPolarHBondContact O-CB 3.48Å; C194-F198 PolarHBondContact O-N 2.77Å; E196-F198 PolarHBondContact O-N 2.91Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.03Å; F198-F201 PolarHBondContact O-N 3.46Å; F198-H202 HydrophobicContact CD1-CB 4.44Å; F198-H202 AromaticContact CD2-CE1 3.78Å; F198-H202 AromaticContact CD2-ND1 3.7Å; F198-H202 HydrophobicContact CE1-CB 4.1Å; F198-H202 AromaticContact CE2-CE1 3.58Å; F198-H202 AromaticContact CE2-ND1 3.67Å; F198-H202 AromaticContact CE2-NE2 3.94Å; F198-H202 AromaticContact CG-ND1 3.97Å; F198-H202 HydrophobicContact CZ-CB 4.34Å; F198-H202 AromaticContact CZ-CG 3.87Å; F198-H202 AromaticContact CZ-ND1 3.91Å; F198-H202 WeakPolarHBondContact O-CB 3.32Å; F198-H202 PolarHBondContact O-N 2.84Å; F198-H202 PolarHBondContact O-ND1 2.79Å; F198-P213 HydrophobicContact CE1-CB 4.32Å; F198-P213 HydrophobicContact CE2-CB 4.12Å; F198-P213 HydrophobicContact CZ-CB 3.71Å; F198-P213 HydrophobicContact CZ-CG 4.4Å
199K83.3Confident80.7Confident148 Ų14877.8 Ų77.864%0.64339%0.389SS*.Hα-helixtrans-64.9-36.7178.7-70.4174.4-177.7-179.30112.2N195 E196 H202N195-K199 WeakPolarHBondContact O-CG 3.33Å; N195-K199 PolarHBondContact O-N 3.47Å; E196-K199 PolarHBondContact O-N 3.25Å; K199-H202 CarbonylContact O-C 3.38Å
200L84Confident80.7Confident138 Ų13883.9 Ų83.972%0.72341%0.414SS*.Hα-helixtrans-67.9-38.9176.5-70.1170.9000112.4E196 C197 F198E196-L200 WeakPolarHBondContact O-CG 3.49Å; E196-L200 PolarHBondContact O-N 2.88Å; C197-L200 PolarHBondContact O-N 2.92Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 3.03Å
201F79.4Confident81Confident92 Ų9276.7 Ų76.740%0.40439%0.389SS..Hα-helixtrans-85.6-17.7179.8-116.7-105.6000114.2L174 F193 C197 F198L174-F201 HydrophobicContact CD1-CD2 4.03Å; L174-F201 HydrophobicContact CD1-CE2 4.14Å; L174-F201 HydrophobicContact CD1-CG 4.28Å; L174-F201 HydrophobicContact CD1-CZ 4.47Å; L174-F201 HydrophobicContact CD2-CD2 4.49Å; L174-F201 HydrophobicContact CD2-CE2 3.85Å; L174-F201 HydrophobicContact CD2-CZ 4.11Å; F193-F201 HydrophobicContact CD1-CB 4.29Å; F193-F201 HydrophobicContact CE1-CB 3.65Å; F193-F201 HydrophobicContact CE1-CD1 4.08Å; F193-F201 AromaticContact CE1-CG 3.87Å; F193-F201 HydrophobicContact CE1-CG 3.87Å; F193-F201 HydrophobicContact CZ-CB 4.44Å; F193-F201 HydrophobicContact CZ-CD1 4.45Å; C197-F201 WeakPolarHBondContact O-CB 3.42Å; C197-F201 PolarHBondContact O-N 2.77Å; F198-F201 PolarHBondContact O-N 3.46Å
202H86.3Confident80.9Confident14 Ų1483.2 Ų83.27%0.06542%0.417CS..SBendtrans-125.161.7176.8-5275.7000110.3C189 F193 F198 K199 K208 H211C189-H202 PolarHBondContact SG-NE2 2.82Å; C189-H202 VanDerWaalsContact SG-NE2 3.36Å; F193-H202 AromaticContact CE2-CE1 3.79Å; F193-H202 AromaticContact CZ-CE1 3.61Å; F198-H202 HydrophobicContact CD1-CB 4.44Å; F198-H202 AromaticContact CD2-CE1 3.78Å; F198-H202 AromaticContact CD2-ND1 3.7Å; F198-H202 HydrophobicContact CE1-CB 4.1Å; F198-H202 AromaticContact CE2-CE1 3.58Å; F198-H202 AromaticContact CE2-ND1 3.67Å; F198-H202 AromaticContact CE2-NE2 3.94Å; F198-H202 AromaticContact CG-ND1 3.97Å; F198-H202 HydrophobicContact CZ-CB 4.34Å; F198-H202 AromaticContact CZ-CG 3.87Å; F198-H202 AromaticContact CZ-ND1 3.91Å; F198-H202 WeakPolarHBondContact O-CB 3.32Å; F198-H202 PolarHBondContact O-N 2.84Å; F198-H202 PolarHBondContact O-ND1 2.79Å; K199-H202 CarbonylContact O-C 3.38Å; H202-K208 PolarHBondContact CD2-O 2.92Å; H202-H211 AromaticContact CD2-ND1 3.91Å; H202-H211 AromaticContact NE2-ND1 3.72Å
203P81.6Confident80.9Confident60 Ų6086.4 Ų86.439%0.3944%0.437SS..  trans-70.4140.7-179.729.2-33000110.7G205 T206P203-G205 PolarHBondContact O-N 2.98Å; P203-T206 HydrophobicContact CG-CG2 3.85Å; P203-T206 PolarHBondContact O-N 3.12Å; P203-T206 PolarHBondContact O-OG1 2.79Å
204W73.8Confident80.5Confident252 Ų25288.8 Ų88.896%0.95545%0.452SS*.THydrogen-bonded Turntrans-56.7134.2-176.9-170.486.6000111.5
205G74.2Confident79.9Confident70 Ų7095.2 Ų95.272%0.72249%0.485SS*.THydrogen-bonded Turntrans93.31.6-177.500000116P203P203-G205 PolarHBondContact O-N 2.98Å
206T79.6Confident79.2Confident58 Ų5892.8 Ų92.836%0.35647%0.474SS..SBendtrans-103158.8176.463.60000112.9P203 K208 A209P203-T206 HydrophobicContact CG-CG2 3.85Å; P203-T206 PolarHBondContact O-N 3.12Å; P203-T206 PolarHBondContact O-OG1 2.79Å; T206-K208 PolarHBondContact O-N 3.08Å; T206-A209 VanDerWaalsContact O-CB 3.31Å; T206-A209 WeakPolarHBondContact O-CB 3.25Å; T206-A209 PolarHBondContact O-N 2.94Å; T206-A209 PolarHBondContact OG1-N 3.15Å
207Q74.7Confident78.2Confident167 Ų16788.7 Ų88.778%0.7846%0.458SS*.G310 helixtrans-55.5-33.4172.5-79.2-174-18.900112.2A209 Q210Q207-A209 VanDerWaalsContact C-N 3.29Å; Q207-A209 PolarHBondContact O-N 3.48Å; Q207-Q210 WeakPolarHBondContact O-CB 3.47Å; Q207-Q210 PolarHBondContact O-N 2.86Å
208K78.5Confident77.1Confident96 Ų9693.6 Ų93.642%0.41748%0.483SS..G310 helixtrans-66.9-27.7175.9-65.9-171.7177.5-178.70112.7H202 T206 Q210 H211H202-K208 PolarHBondContact CD2-O 2.92Å; T206-K208 PolarHBondContact O-N 3.08Å; K208-Q210 PolarHBondContact O-N 3.3Å; K208-Q210 VanDerWaalsContact O-N 3.13Å; K208-H211 VanDerWaalsContact O-CB 3.32Å; K208-H211 WeakPolarHBondContact O-CB 3.42Å; K208-H211 PolarHBondContact O-N 3.36Å
209A77.1Confident75.9Confident44 Ų4493.7 Ų93.736%0.36449%0.486SS..G310 helixtrans-65.4-15175.500000113.6T206 Q207 H211T206-A209 VanDerWaalsContact O-CB 3.31Å; T206-A209 WeakPolarHBondContact O-CB 3.25Å; T206-A209 PolarHBondContact O-N 2.94Å; T206-A209 PolarHBondContact OG1-N 3.15Å; Q207-A209 VanDerWaalsContact C-N 3.29Å; Q207-A209 PolarHBondContact O-N 3.48Å; A209-H211 VanDerWaalsContact C-N 3.29Å
210Q75.8Confident74.7Confident164 Ų16488.6 Ų88.677%0.76646%0.464SS*.G310 helixtrans-80.6-9.7174.4-57.8-178.1-1.100112.9Q207 K208 E212Q207-Q210 WeakPolarHBondContact O-CB 3.47Å; Q207-Q210 PolarHBondContact O-N 2.86Å; K208-Q210 PolarHBondContact O-N 3.3Å; K208-Q210 VanDerWaalsContact O-N 3.13Å; Q210-E212 PolarHBondContact O-N 3.38Å
211H82.9Confident73.6Confident38 Ų3887.9 Ų87.918%0.17645%0.451CS..SBendtrans-68.8127.7177.5-58.2-178.8000110.5C186 E188 C189 H202 K208 A209 P213C186-H211 VanDerWaalsContact SG-CB 3.53Å; C186-H211 PolarHBondContact SG-ND1 3.47Å; E188-H211 WeakPolarHBondContact OE2-CA 3.33Å; E188-H211 WeakPolarHBondContact OE2-CB 3.41Å; E188-H211 IonicContact OE2-CD2 2.81Å; E188-H211 PolarHBondContact OE2-CD2 3.14Å; E188-H211 IonicContact OE2-CG 2.95Å; E188-H211 IonicContact OE2-ND1 3.77Å; E188-H211 IonicContact OE2-NE2 2.69Å; C189-H211 PolarHBondContact SG-CE1 2.85Å; C189-H211 PolarHBondContact SG-ND1 2.9Å; H202-H211 AromaticContact CD2-ND1 3.91Å; H202-H211 AromaticContact NE2-ND1 3.72Å; K208-H211 VanDerWaalsContact O-CB 3.32Å; K208-H211 WeakPolarHBondContact O-CB 3.42Å; K208-H211 PolarHBondContact O-N 3.36Å; A209-H211 VanDerWaalsContact C-N 3.29Å; H211-P213 WeakPolarHBondContact O-CD 3.27Å
212E77.9Confident72.6Confident150 Ų15087.9 Ų87.970%0.70146%0.46SS*.PPolyproline II helixtrans-74.2123.4-178.6-163.9175.9179.600110.8Q210 T214Q210-E212 PolarHBondContact O-N 3.38Å; E212-T214 PolarHBondContact O-N 3.26Å
213P80.6Confident71.1Confident66 Ų6697.9 Ų97.943%0.42950%0.504SS..EExtended strand (participates in β ladder)trans-70.9122.217725.5-30000110.6K184 F198 H211K184-P213 HydrophobicContact CD-CB 4.23Å; F198-P213 HydrophobicContact CE1-CB 4.32Å; F198-P213 HydrophobicContact CE2-CB 4.12Å; F198-P213 HydrophobicContact CZ-CB 3.71Å; F198-P213 HydrophobicContact CZ-CG 4.4Å; H211-P213 WeakPolarHBondContact O-CD 3.27Å
214T77Confident70.3Confident51 Ų5196.1 Ų96.131%0.31350%0.497SS..EExtended strand (participates in β ladder)trans-97.9172171.464.90000110.8G185 T187 E212G185-T214 PolarHBondContact N-O 3.43Å; G185-T214 PolarHBondContact O-N 3.33Å; G185-T214 PolarHBondContact O-OG1 3.34Å; T187-T214 HydrophobicContact CG2-CG2 3.87Å; E212-T214 PolarHBondContact O-N 3.26Å
215L74.3Confident70.3Confident141 Ų14187.3 Ų87.374%0.73847%0.468SS*.PPolyproline II helixtrans-60.4151.7165.7-76.6163.2000110.4T217L215-T217 PolarHBondContact O-N 3.3Å; L215-T217 PolarHBondContact O-OG1 2.97Å
216P68.8Low70.5Confident25 Ų2587.9 Ų87.916%0.16245%0.453CS..PPolyproline II helixtrans-55.3125.3173.2-18.527.5000110.1I170 A182 T183 T192I170-P216 HydrophobicContact CB-CB 4.2Å; I170-P216 HydrophobicContact CD1-CB 4.34Å; I170-P216 WeakPolarHBondContact CD1-O 3.49Å; I170-P216 HydrophobicContact CG2-CB 4.03Å; A182-P216 HydrophobicContact CB-CB 3.96Å; A182-P216 HydrophobicContact CB-CG 4.24Å; A182-P216 WeakPolarHBondContact O-CG 3.4Å; T183-P216 VanDerWaalsContact C-CG 3.42Å; T192-P216 HydrophobicContact CG2-CB 4.29Å
217T63.6Low70.5Confident53 Ų5385.3 Ų85.333%0.32544%0.437SS..  trans-148.7134.6175.2-51.50000107.8T192 L215 S219 F220T192-T217 WeakPolarHBondContact CG2-O 3.24Å; L215-T217 PolarHBondContact O-N 3.3Å; L215-T217 PolarHBondContact O-OG1 2.97Å; T217-S219 WeakPolarHBondContact CG2-OG 3.46Å; T217-S219 PolarHBondContact O-N 3.43Å; T217-F220 WeakPolarHBondContact O-CE2 3.09Å; T217-F220 WeakPolarHBondContact O-CZ 3.44Å
218L61.3Low70.5Confident119 Ų11979.1 Ų79.162%0.62341%0.411SS*.SBendtrans-75.81.8175.5-63.8172.7000112.9I170I170-L218 HydrophobicContact CG2-CD2 3.96Å; I170-L218 HydrophobicContact CG2-CG 4.06Å
219S58.2Low70.3Confident21 Ų2178 Ų7815%0.14741%0.41CS..  trans-128.698.7-178.368.10000111.1T217 R221T217-S219 WeakPolarHBondContact CG2-OG 3.46Å; T217-S219 PolarHBondContact O-N 3.43Å; S219-R221 PolarHBondContact OG-NE 2.78Å; S219-R221 PolarHBondContact OG-NH2 2.99Å
220F58.9Low70.3Confident41 Ų4177.4 Ų77.418%0.1840%0.4CS..  trans-90113.8174.4-56.8-75.6000109C186 T187 R190 A191 T192 T217C186-F220 WeakPolarHBondContact O-CD1 3.46Å; C186-F220 VanDerWaalsContact O-CE1 3.27Å; C186-F220 WeakPolarHBondContact O-CE1 3.47Å; T187-F220 HydrophobicContact CG2-CD1 4.13Å; R190-F220 HydrophobicContact CB-CB 4.23Å; R190-F220 HydrophobicContact CB-CD2 3.82Å; R190-F220 HydrophobicContact CB-CG 4.13Å; R190-F220 HydrophobicContact CG-CB 4.01Å; R190-F220 HydrophobicContact CG-CG 4.41Å; R190-F220 WeakPolarHBondContact O-CD2 3.43Å; R190-F220 WeakPolarHBondContact O-CE2 3.45Å; A191-F220 VanDerWaalsContact N-CE2 3.27Å; A191-F220 VanDerWaalsContact N-CZ 3.33Å; A191-F220 WeakPolarHBondContact O-CZ 3.41Å; T192-F220 HydrophobicContact CG2-CE2 4.44Å; T192-F220 HydrophobicContact CG2-CZ 3.75Å; T217-F220 WeakPolarHBondContact O-CE2 3.09Å; T217-F220 WeakPolarHBondContact O-CZ 3.44Å
221R60.8Low70.2Confident123 Ų12378.2 Ų78.246%0.46440%0.401SS..  trans-114.2144.2-159.3-61.5179-174.1179.5-2.4113.7S219S219-R221 PolarHBondContact OG-NE 2.78Å; S219-R221 PolarHBondContact OG-NH2 2.99Å
222P58.1Low70Confident92 Ų9279.8 Ų79.860%0.59741%0.408SS*.  trans-69.1150.1163.7-13.228.2000111.9G224P222-G224 VanDerWaalsContact C-N 3.26Å; P222-G224 PolarHBondContact O-N 2.61Å
223K56.1Low70.1Confident224 Ų22478.1 Ų78.197%0.97440%0.401SS*.SBendtrans-68.7-13.7-176.3-68.2-179.5178.8178.40114.9
224G64.8Low70.3Confident24 Ų2476 Ų7625%0.24739%0.386CS..SBendtrans-162.8172.7-178.300000114.1P222 M226P222-G224 VanDerWaalsContact C-N 3.26Å; P222-G224 PolarHBondContact O-N 2.61Å; G224-M226 PolarHBondContact O-N 2.87Å
225L73.8Confident70.7Confident67 Ų6776.1 Ų76.135%0.35139%0.387SS..PPolyproline II helixtrans-77.3117.9171.5-76.3173000109.1L151 V234 L244L151-L225 HydrophobicContact CD1-CD2 3.63Å; L151-L225 HydrophobicContact CD1-CG 4.34Å; L151-L225 HydrophobicContact CG-CD2 3.97Å; L225-V234 HydrophobicContact CB-CG2 3.61Å; L225-V234 HydrophobicContact CD1-CG2 4.48Å; L225-V234 WeakPolarHBondContact O-CG2 3.19Å; L225-V234 PolarHBondContact O-N 2.89Å; L225-L244 HydrophobicContact CD1-CD1 3.98Å
226M77.8Confident71.3Confident81 Ų8170.2 Ų70.240%0.39936%0.356SS..BIsolated β-bridgetrans-97.3140.8179.6-52.2-54.1-7100110.2G224 P228 K231 E232 E233G224-M226 PolarHBondContact O-N 2.87Å; M226-P228 WeakPolarHBondContact O-CD 3.5Å; M226-K231 WeakPolarHBondContact CE-O 3.37Å; M226-E232 CarbonylContact C-O 3.58Å; M226-E232 WeakPolarHBondContact CA-O 3.48Å; M226-E233 HydrophobicContact CE-CG 4.07Å; M226-E233 HydrophobicContact SD-CG 3.71Å
227C79.8Confident72.2Confident4 Ų470.9 Ų70.93%0.02736%0.355CS..PPolyproline II helixtrans-63.9124.5173.1177.10000109.7D229 H230 K231 E232 V234 C246 C249C227-D229 PolarHBondContact O-N 2.94Å; C227-D229 PolarHBondContact SG-N 3.22Å; C227-H230 PolarHBondContact O-N 2.76Å; C227-K231 WeakPolarHBondContact O-CA 3.33Å; C227-K231 PolarHBondContact O-N 3.38Å; C227-E232 VanDerWaalsContact CB-O 3.32Å; C227-E232 WeakPolarHBondContact CB-O 3.37Å; C227-E232 PolarHBondContact N-O 2.98Å; C227-V234 HydrophobicContact CB-CG1 4.03Å; C227-C246 HydrophobicContact CB-CB 3.78Å; C227-C249 VanDerWaalsContact SG-SG 3.61Å
228P74.1Confident73.3Confident37 Ų3768.4 Ų68.424%0.2434%0.34CS..THydrogen-bonded Turntrans-58.4-29.5177.9-25.433.9000112.9F148 M226F148-P228 HydrophobicContact CD1-CG 4.14Å; F148-P228 HydrophobicContact CD2-CG 4.43Å; F148-P228 HydrophobicContact CE1-CG 3.96Å; F148-P228 HydrophobicContact CE2-CG 4.25Å; F148-P228 HydrophobicContact CG-CG 4.39Å; F148-P228 HydrophobicContact CZ-CG 4.01Å; M226-P228 WeakPolarHBondContact O-CD 3.5Å
229D74.9Confident74.4Confident72 Ų7266.7 Ų66.739%0.38533%0.327SS..THydrogen-bonded Turntrans-85.1-35.7-174.1-59.2-43.8000113.8R142 C227R142-D229 IonicContact CZ-OD1 3.49Å; R142-D229 VanDerWaalsContact CZ-OD1 3.25Å; R142-D229 IonicContact NE-OD1 3.63Å; R142-D229 PolarHBondContact NE-OD1 3.34Å; R142-D229 VanDerWaalsContact NH2-CB 3.34Å; R142-D229 VanDerWaalsContact NH2-CG 3.3Å; R142-D229 IonicContact NH2-OD1 2.97Å; R142-D229 PolarHBondContact NH2-OD1 2.93Å; C227-D229 PolarHBondContact O-N 2.94Å; C227-D229 PolarHBondContact SG-N 3.22Å
230H76.7Confident75.6Confident33 Ų3369.5 Ų69.515%0.15334%0.344CS..THydrogen-bonded Turntrans-123.7-5.2-168.1-57107000114.2C227 E232 C246 L248 C249 R252C227-H230 PolarHBondContact O-N 2.76Å; H230-E232 HydrophobicContact CB-CG 4.5Å; H230-E232 PolarHBondContact O-N 2.79Å; H230-E232 VanDerWaalsContact O-N 3.12Å; H230-C246 PolarHBondContact ND1-SG 3.37Å; H230-L248 HydrophobicContact CB-CB 4.4Å; H230-L248 HydrophobicContact CB-CD1 4.02Å; H230-C249 PolarHBondContact CE1-SG 2.92Å; H230-C249 PolarHBondContact ND1-SG 3.22Å; H230-R252 PolarHBondContact CD2-NH1 3.21Å; H230-R252 VanDerWaalsContact CD2-NH1 3.26Å; H230-R252 WeakPolarHBondContact NE2-CD 3.37Å; H230-R252 VanDerWaalsContact NE2-CZ 3.28Å; H230-R252 PolarHBondContact NE2-NE 3.15Å; H230-R252 PolarHBondContact NE2-NH1 3.16Å
231K74.9Confident76.5Confident181 Ų18169.5 Ų69.579%0.78735%0.348SS*.SBendtrans53.628.7-176.8-55.3-178.7-179.7179.40113.5M226 C227M226-K231 WeakPolarHBondContact CE-O 3.37Å; C227-K231 WeakPolarHBondContact O-CA 3.33Å; C227-K231 PolarHBondContact O-N 3.38Å
232E78.3Confident77.5Confident70 Ų7070.5 Ų70.533%0.32736%0.358SS..SBendtrans-106.6157172.3-72.4-173.1163.300111.1M226 C227 H230 V234 C246 L248M226-E232 CarbonylContact C-O 3.58Å; M226-E232 WeakPolarHBondContact CA-O 3.48Å; C227-E232 VanDerWaalsContact CB-O 3.32Å; C227-E232 WeakPolarHBondContact CB-O 3.37Å; C227-E232 PolarHBondContact N-O 2.98Å; H230-E232 HydrophobicContact CB-CG 4.5Å; H230-E232 PolarHBondContact O-N 2.79Å; H230-E232 VanDerWaalsContact O-N 3.12Å; E232-V234 PolarHBondContact O-N 2.81Å; E232-C246 HydrophobicContact CB-CB 3.89Å; E232-L248 HydrophobicContact CG-CD1 4.25Å; E232-L248 WeakPolarHBondContact OE1-CD1 3.4Å; E232-L248 WeakPolarHBondContact OE1-CG 3.5Å; E232-L248 WeakPolarHBondContact OE2-CD1 3.5Å; E232-L248 VanDerWaalsContact OE2-CG 3.27Å; E232-L248 WeakPolarHBondContact OE2-CG 3.44Å
233E80.1Confident78.4Confident116 Ų11672.5 Ų72.554%0.54235%0.354SS..BIsolated β-bridgetrans-62136.2175.7-66.5-173.8168.500112.2M226 T235 C246M226-E233 HydrophobicContact CE-CG 4.07Å; M226-E233 HydrophobicContact SD-CG 3.71Å; E233-T235 PolarHBondContact O-N 3.25Å; E233-C246 VanDerWaalsContact O-CB 3.31Å; E233-C246 WeakPolarHBondContact O-CB 3.49Å
234V84Confident79.7Confident21 Ų2164.6 Ų64.613%0.12732%0.322CS..EExtended strand (participates in β ladder)trans-77.2118.4174.7-60.10000110.1F148 L225 C227 E232 L244F148-V234 HydrophobicContact CE1-CG1 3.97Å; F148-V234 HydrophobicContact CZ-CG1 4.13Å; L225-V234 HydrophobicContact CB-CG2 3.61Å; L225-V234 HydrophobicContact CD1-CG2 4.48Å; L225-V234 WeakPolarHBondContact O-CG2 3.19Å; L225-V234 PolarHBondContact O-N 2.89Å; C227-V234 HydrophobicContact CB-CG1 4.03Å; E232-V234 PolarHBondContact O-N 2.81Å; V234-L244 HydrophobicContact CB-CB 4.12Å; V234-L244 HydrophobicContact CG1-CB 4.36Å; V234-L244 HydrophobicContact CG2-CB 4.1Å; V234-L244 HydrophobicContact CG2-CD1 4.15Å
235T85.1Confident80.6Confident53 Ų5363.6 Ų63.633%0.32531%0.311SS..EExtended strand (participates in β ladder)trans-120.8-11-174.147.10000112.7E233 V245 V263E233-T235 PolarHBondContact O-N 3.25Å; T235-V245 PolarHBondContact N-O 3.39Å; T235-V263 WeakPolarHBondContact O-CG2 3.35Å; T235-V263 PolarHBondContact O-N 2.78Å
236H87.8Confident81.2Confident18 Ų1860.4 Ų60.48%0.08329%0.294CS..EExtended strand (participates in β ladder)trans-127154.8-174.6-66.368.7000111.5V245 Q247 I260H236-V245 HydrophobicContact CB-CG2 3.6Å; H236-V245 PolarHBondContact N-O 3.46Å; H236-V245 PolarHBondContact O-N 3.45Å; H236-Q247 PolarHBondContact CE1-NE2 2.82Å; H236-Q247 VanDerWaalsContact CE1-NE2 3.27Å; H236-Q247 PolarHBondContact CE1-OE1 2.87Å; H236-I260 HydrophobicContact CB-CG2 3.63Å
237Y87.3Confident81.5Confident39 Ų3960.9 Ų60.915%0.15330%0.296CS..EExtended strand (participates in β ladder)trans-122.1121.6175.3177.3-108.3000109.7K239 L244 I260 T261 A266Y237-K239 HydrophobicContact CD1-CG 3.88Å; Y237-K239 HydrophobicContact CE1-CB 4.4Å; Y237-K239 HydrophobicContact CE1-CG 3.82Å; Y237-L244 HydrophobicContact CD2-CD2 4.26Å; Y237-I260 WeakPolarHBondContact O-CA 3.09Å; Y237-T261 PolarHBondContact N-O 2.83Å; Y237-T261 PolarHBondContact O-N 2.98Å; Y237-T261 PolarHBondContact O-OG1 2.81Å; Y237-A266 HydrophobicContact CD1-CB 3.55Å; Y237-A266 HydrophobicContact CE1-CB 4.4Å; Y237-A266 HydrophobicContact CG-CB 3.73Å
238C86.8Confident81.6Confident0 Ų063.8 Ų63.80%031%0.311CS..EExtended strand (participates in β ladder)trans-87.9108.2175.1-175.50000109.4T240 C241 Q242 R243 V245 H255 H258 I260C238-T240 VanDerWaalsContact C-N 3.29Å; C238-T240 PolarHBondContact O-N 2.82Å; C238-C241 HydrophobicContact CB-CB 4.27Å; C238-C241 PolarHBondContact O-N 3.48Å; C238-C241 VanDerWaalsContact SG-SG 3.7Å; C238-Q242 WeakPolarHBondContact O-CA 3.45Å; C238-Q242 PolarHBondContact O-N 2.77Å; C238-R243 PolarHBondContact N-O 3.05Å; C238-R243 PolarHBondContact O-N 3.17Å; C238-V245 HydrophobicContact CB-CG1 4.22Å; C238-H255 PolarHBondContact SG-ND1 3Å; C238-H255 VanDerWaalsContact SG-ND1 3.4Å; C238-H258 WeakPolarHBondContact SG-CB 3.3Å; C238-I260 HydrophobicContact CB-CG1 4.22Å
239K83.6Confident82Confident84 Ų8462.2 Ų62.237%0.36530%0.3SS..THydrogen-bonded Turntrans-65.5-33.1179.1-65.6-173173.8-177.40112.4Y237 K259 T261Y237-K239 HydrophobicContact CD1-CG 3.88Å; Y237-K239 HydrophobicContact CE1-CB 4.4Å; Y237-K239 HydrophobicContact CE1-CG 3.82Å; K239-K259 HydrophobicContact CB-CB 4.34Å; K239-K259 HydrophobicContact CB-CG 4.49Å; K239-K259 WeakPolarHBondContact CB-O 3.26Å; K239-K259 HydrophobicContact CD-CD 4.19Å; K239-K259 HydrophobicContact CD-CG 4.28Å; K239-K259 PolarHBondContact N-O 2.85Å; K239-T261 HydrophobicContact CD-CG2 4.24Å; K239-T261 WeakPolarHBondContact CE-OG1 3.24Å
240T84.1Confident82.2Confident80 Ų8065.2 Ų65.249%0.49131%0.306SS..THydrogen-bonded Turntrans-68.7-42179.7-51.40000111.9C238 K259C238-T240 VanDerWaalsContact C-N 3.29Å; C238-T240 PolarHBondContact O-N 2.82Å; T240-K259 PolarHBondContact OG1-N 3.18Å; T240-K259 VanDerWaalsContact OG1-N 3.09Å
241C77.9Confident82.1Confident40 Ų4069.5 Ų69.527%0.2733%0.334SS..THydrogen-bonded Turntrans-94.1-6.8-180-58.50000114C238 R243 H255 H258C238-C241 HydrophobicContact CB-CB 4.27Å; C238-C241 PolarHBondContact O-N 3.48Å; C238-C241 VanDerWaalsContact SG-SG 3.7Å; C241-R243 VanDerWaalsContact C-N 3.28Å; C241-R243 HydrophobicContact CB-CB 4.43Å; C241-R243 WeakPolarHBondContact O-CG 3.33Å; C241-R243 PolarHBondContact O-N 3.15Å; C241-H255 PolarHBondContact SG-CE1 3.25Å; C241-H255 PolarHBondContact SG-ND1 2.88Å; C241-H255 VanDerWaalsContact SG-ND1 3.39Å; C241-H258 PolarHBondContact SG-CE1 3.16Å; C241-H258 PolarHBondContact SG-ND1 3.34Å
242Q80.8Confident82.1Confident144 Ų14467.4 Ų67.467%0.67332%0.321SS*.THydrogen-bonded Turntrans51.541.7-171.8-54-173.326.300113.7C238C238-Q242 WeakPolarHBondContact O-CA 3.45Å; C238-Q242 PolarHBondContact O-N 2.77Å
243R77.6Confident81.6Confident134 Ų13475.3 Ų75.351%0.50635%0.348SS..EExtended strand (participates in β ladder)trans-133.7149.4-174.8-72.1174.2-168-167.93.5112.7C238 C241C238-R243 PolarHBondContact N-O 3.05Å; C238-R243 PolarHBondContact O-N 3.17Å; C241-R243 VanDerWaalsContact C-N 3.28Å; C241-R243 HydrophobicContact CB-CB 4.43Å; C241-R243 WeakPolarHBondContact O-CG 3.33Å; C241-R243 PolarHBondContact O-N 3.15Å
244L83.6Confident81.1Confident58 Ų5874.5 Ų74.530%0.30435%0.351SS..EExtended strand (participates in β ladder)trans-76.9134.8170.7-68.1171.9000110.1F148 L225 V234 Y237 V263F148-L244 HydrophobicContact CZ-CB 4.39Å; L225-L244 HydrophobicContact CD1-CD1 3.98Å; V234-L244 HydrophobicContact CB-CB 4.12Å; V234-L244 HydrophobicContact CG1-CB 4.36Å; V234-L244 HydrophobicContact CG2-CB 4.1Å; V234-L244 HydrophobicContact CG2-CD1 4.15Å; Y237-L244 HydrophobicContact CD2-CD2 4.26Å; L244-V263 HydrophobicContact CD2-CG2 3.77Å
245V84.9Confident80.6Confident4 Ų474.8 Ų74.82%0.02435%0.351CS..EExtended strand (participates in β ladder)trans-135.1145.6-175.4-58.20000110.8T235 H236 C238 C249 I260T235-V245 PolarHBondContact N-O 3.39Å; H236-V245 HydrophobicContact CB-CG2 3.6Å; H236-V245 PolarHBondContact N-O 3.46Å; H236-V245 PolarHBondContact O-N 3.45Å; C238-V245 HydrophobicContact CB-CG1 4.22Å; V245-C249 HydrophobicContact CB-CB 3.69Å; V245-C249 HydrophobicContact CG1-CB 4.29Å; V245-I260 HydrophobicContact CG2-CG2 4.29Å
246C86.4Confident80.1Confident0 Ų076.4 Ų76.40%036%0.364CS..EExtended strand (participates in β ladder)trans-83.7178.7172.1720000111.5C227 H230 E232 E233 L248 C249 R250C227-C246 HydrophobicContact CB-CB 3.78Å; H230-C246 PolarHBondContact ND1-SG 3.37Å; E232-C246 HydrophobicContact CB-CB 3.89Å; E233-C246 VanDerWaalsContact O-CB 3.31Å; E233-C246 WeakPolarHBondContact O-CB 3.49Å; C246-L248 VanDerWaalsContact C-N 3.34Å; C246-L248 PolarHBondContact O-N 3.2Å; C246-C249 PolarHBondContact O-N 3.2Å; C246-R250 PolarHBondContact O-N 3.45Å
247Q82.6Confident79.4Confident91 Ų9179.7 Ų79.743%0.42540%0.403SS..Hα-helixtrans-60.6-42.1178.5-67.4-74.418.700112.1H236 C249 R250 V251H236-Q247 PolarHBondContact CE1-NE2 2.82Å; H236-Q247 VanDerWaalsContact CE1-NE2 3.27Å; H236-Q247 PolarHBondContact CE1-OE1 2.87Å; Q247-C249 VanDerWaalsContact C-N 3.35Å; Q247-C249 PolarHBondContact O-N 3.48Å; Q247-R250 WeakPolarHBondContact O-CB 3.2Å; Q247-R250 PolarHBondContact O-N 3.22Å; Q247-V251 PolarHBondContact O-N 3.43Å
248L82.5Confident79.4Confident65 Ų6581 Ų8134%0.3441%0.411SS..Hα-helixtrans-65-35178-68.1175.4000113.3H230 E232 C246 R250 V251 R252H230-L248 HydrophobicContact CB-CB 4.4Å; H230-L248 HydrophobicContact CB-CD1 4.02Å; E232-L248 HydrophobicContact CG-CD1 4.25Å; E232-L248 WeakPolarHBondContact OE1-CD1 3.4Å; E232-L248 WeakPolarHBondContact OE1-CG 3.5Å; E232-L248 WeakPolarHBondContact OE2-CD1 3.5Å; E232-L248 VanDerWaalsContact OE2-CG 3.27Å; E232-L248 WeakPolarHBondContact OE2-CG 3.44Å; C246-L248 VanDerWaalsContact C-N 3.34Å; C246-L248 PolarHBondContact O-N 3.2Å; L248-R250 VanDerWaalsContact C-N 3.28Å; L248-R250 PolarHBondContact O-N 3.07Å; L248-V251 PolarHBondContact O-N 2.86Å; L248-R252 WeakPolarHBondContact O-CB 3.33Å; L248-R252 WeakPolarHBondContact O-CG 3.49Å; L248-R252 PolarHBondContact O-N 2.83Å
249C81.8Confident79.3Confident3 Ų387.5 Ų87.52%0.0244%0.439CS..Hα-helixtrans-64.9-30.7174.8-72.80000113C227 H230 V245 C246 Q247C227-C249 VanDerWaalsContact SG-SG 3.61Å; H230-C249 PolarHBondContact CE1-SG 2.92Å; H230-C249 PolarHBondContact ND1-SG 3.22Å; V245-C249 HydrophobicContact CB-CB 3.69Å; V245-C249 HydrophobicContact CG1-CB 4.29Å; C246-C249 PolarHBondContact O-N 3.2Å; Q247-C249 VanDerWaalsContact C-N 3.35Å; Q247-C249 PolarHBondContact O-N 3.48Å
250R78.8Confident79.5Confident136 Ų13685.4 Ų85.451%0.51343%0.431SS..Hα-helixtrans-69.2-34.8176.5173.3-178.1170-156.8-5.5112C246 Q247 L248 I260C246-R250 PolarHBondContact O-N 3.45Å; Q247-R250 WeakPolarHBondContact O-CB 3.2Å; Q247-R250 PolarHBondContact O-N 3.22Å; L248-R250 VanDerWaalsContact C-N 3.28Å; L248-R250 PolarHBondContact O-N 3.07Å; R250-I260 HydrophobicContact CB-CD1 4.14Å; R250-I260 HydrophobicContact CG-CD1 3.97Å
251V75.6Confident79.7Confident122 Ų12282.5 Ų82.574%0.73941%0.414SS*.Hα-helixtrans-90.2-26.9-174.1-177.50000112.2Q247 L248Q247-V251 PolarHBondContact O-N 3.43Å; L248-V251 PolarHBondContact O-N 2.86Å
252R74.6Confident80.2Confident138 Ų13884.2 Ų84.252%0.52142%0.424SS..SBendtrans-75157.9177-73.7-179.3176.9-164.6-4112.4H230 L248 T254H230-R252 PolarHBondContact CD2-NH1 3.21Å; H230-R252 VanDerWaalsContact CD2-NH1 3.26Å; H230-R252 WeakPolarHBondContact NE2-CD 3.37Å; H230-R252 VanDerWaalsContact NE2-CZ 3.28Å; H230-R252 PolarHBondContact NE2-NE 3.15Å; H230-R252 PolarHBondContact NE2-NH1 3.16Å; L248-R252 WeakPolarHBondContact O-CB 3.33Å; L248-R252 WeakPolarHBondContact O-CG 3.49Å; L248-R252 PolarHBondContact O-N 2.83Å; R252-T254 PolarHBondContact O-N 3.39Å
253R67.9Low80.5Confident236 Ų23679.5 Ų79.589%0.89141%0.405SS*.G310 helixtrans-61.2-9.8-177.7-63.9-171.1-172.1-150.42115.2H255 S256R253-H255 VanDerWaalsContact C-N 3.34Å; R253-H255 PolarHBondContact O-N 3.49Å; R253-S256 PolarHBondContact O-OG 3.1Å
254T69.1Low80.8Confident98 Ų9879.5 Ų79.560%0.60141%0.414SS*.G310 helixtrans-72.6-23.1-176.2510000113.8R252R252-T254 PolarHBondContact O-N 3.39Å
255H74.1Confident80.9Confident27 Ų2779.3 Ų79.313%0.12542%0.418CS..G310 helixtrans-127.926.5173.8-66-94.9000113C238 C241 R253 G257 H258 I260C238-H255 PolarHBondContact SG-ND1 3Å; C238-H255 VanDerWaalsContact SG-ND1 3.4Å; C241-H255 PolarHBondContact SG-CE1 3.25Å; C241-H255 PolarHBondContact SG-ND1 2.88Å; C241-H255 VanDerWaalsContact SG-ND1 3.39Å; R253-H255 VanDerWaalsContact C-N 3.34Å; R253-H255 PolarHBondContact O-N 3.49Å; H255-G257 PolarHBondContact O-N 3.29Å; H255-H258 HydrophobicContact CB-CB 4.34Å; H255-H258 AromaticContact CG-ND1 3.81Å; H255-H258 AromaticContact ND1-ND1 3.32Å; H255-H258 PolarHBondContact ND1-ND1 3.38Å; H255-H258 PolarHBondContact O-N 2.99Å; H255-I260 HydrophobicContact CB-CD1 4.02Å
256S74.3Confident80.9Confident87 Ų8779.4 Ų79.461%0.60842%0.419SS*.THydrogen-bonded Turntrans-64.1122177.157.80000110.8R253R253-S256 PolarHBondContact O-OG 3.1Å
257G73.9Confident80.8Confident87 Ų8785.3 Ų85.390%0.89744%0.442SS*.THydrogen-bonded Turntrans86.2-0-17900000115.1H255H255-G257 PolarHBondContact O-N 3.29Å
258H87.9Confident81Confident68 Ų6886.8 Ų86.832%0.31545%0.449SS..  trans-82150.7175-67.2163.4000112.8C238 C241 H255 I260C238-H258 WeakPolarHBondContact SG-CB 3.3Å; C241-H258 PolarHBondContact SG-CE1 3.16Å; C241-H258 PolarHBondContact SG-ND1 3.34Å; H255-H258 HydrophobicContact CB-CB 4.34Å; H255-H258 AromaticContact CG-ND1 3.81Å; H255-H258 AromaticContact ND1-ND1 3.32Å; H255-H258 PolarHBondContact ND1-ND1 3.38Å; H255-H258 PolarHBondContact O-N 2.99Å; H258-I260 HydrophobicContact CB-CG1 4.49Å; H258-I260 PolarHBondContact O-N 3.18Å; H258-I260 VanDerWaalsContact O-N 3.08Å
259K84.6Confident81.1Confident136 Ų13686.3 Ų86.359%0.59146%0.455SS*.  trans-77.298.7177.2-171.2171.3-173.1170.50110K239 T240K239-K259 HydrophobicContact CB-CB 4.34Å; K239-K259 HydrophobicContact CB-CG 4.49Å; K239-K259 WeakPolarHBondContact CB-O 3.26Å; K239-K259 HydrophobicContact CD-CD 4.19Å; K239-K259 HydrophobicContact CD-CG 4.28Å; K239-K259 PolarHBondContact N-O 2.85Å; T240-K259 PolarHBondContact OG1-N 3.18Å; T240-K259 VanDerWaalsContact OG1-N 3.09Å
260I87.1Confident81.1Confident40 Ų4090.1 Ų90.121%0.20547%0.474CS..EExtended strand (participates in β ladder)trans-104.8132.3-179.4-57.7170.1000109.6H236 Y237 C238 V245 R250 H255 H258H236-I260 HydrophobicContact CB-CG2 3.63Å; Y237-I260 WeakPolarHBondContact O-CA 3.09Å; C238-I260 HydrophobicContact CB-CG1 4.22Å; V245-I260 HydrophobicContact CG2-CG2 4.29Å; R250-I260 HydrophobicContact CB-CD1 4.14Å; R250-I260 HydrophobicContact CG-CD1 3.97Å; H255-I260 HydrophobicContact CB-CD1 4.02Å; H258-I260 HydrophobicContact CB-CG1 4.49Å; H258-I260 PolarHBondContact O-N 3.18Å; H258-I260 VanDerWaalsContact O-N 3.08Å
261T87.3Confident81.3Confident19 Ų1988.7 Ų88.712%0.11747%0.472CS..EExtended strand (participates in β ladder)trans-125.2153.7176.950.40000110.9Y237 K239Y237-T261 PolarHBondContact N-O 2.83Å; Y237-T261 PolarHBondContact O-N 2.98Å; Y237-T261 PolarHBondContact O-OG1 2.81Å; K239-T261 HydrophobicContact CD-CG2 4.24Å; K239-T261 WeakPolarHBondContact CE-OG1 3.24Å
262P89.5Confident81.6Confident75 Ų7587.2 Ų87.249%0.48746%0.46SS..EExtended strand (participates in β ladder)trans-55.8143.3170.6-23.734.1000111.4L264 S265 A266P262-L264 PolarHBondContact O-N 2.74Å; P262-S265 PolarHBondContact O-N 2.81Å; P262-A266 PolarHBondContact O-N 3.5Å
263V86.9Confident82Confident46 Ų4687.4 Ų87.428%0.27946%0.464SS..Hα-helixtrans-56.6-37.1-179.4163.40000112.1T235 L244 S265 A266 Y267T235-V263 WeakPolarHBondContact O-CG2 3.35Å; T235-V263 PolarHBondContact O-N 2.78Å; L244-V263 HydrophobicContact CD2-CG2 3.77Å; V263-S265 PolarHBondContact O-N 3.5Å; V263-A266 PolarHBondContact O-N 3.5Å; V263-Y267 VanDerWaalsContact O-CB 3.28Å; V263-Y267 WeakPolarHBondContact O-CB 3.39Å; V263-Y267 PolarHBondContact O-N 2.78Å
264L84.7Confident82.7Confident134 Ų13482 Ų8270%0.70245%0.453SS*.Hα-helixtrans-60.5-42.5179.3-66.7175.1000113P262 Y267 Q268P262-L264 PolarHBondContact O-N 2.74Å; L264-Y267 PolarHBondContact O-N 2.89Å; L264-Q268 PolarHBondContact O-N 3.17Å; L264-Q268 VanDerWaalsContact O-N 3.11Å
265S85.3Confident83.2Confident53 Ų5380.8 Ų80.837%0.37145%0.445SS..Hα-helixtrans-67.2-42.7176.5162.40000111.6P262 V263 Y267 Q268 A269P262-S265 PolarHBondContact O-N 2.81Å; V263-S265 PolarHBondContact O-N 3.5Å; S265-Y267 VanDerWaalsContact C-N 3.34Å; S265-Q268 PolarHBondContact O-N 3.27Å; S265-A269 PolarHBondContact O-N 3.5Å; S265-A269 VanDerWaalsContact O-N 3.14Å
266A83.9Confident83.7Confident6 Ų686.7 Ų86.75%0.0547%0.47CS..Hα-helixtrans-65.8-38176.800000111.9Y237 P262 V263 L270Y237-A266 HydrophobicContact CD1-CB 3.55Å; Y237-A266 HydrophobicContact CE1-CB 4.4Å; Y237-A266 HydrophobicContact CG-CB 3.73Å; P262-A266 PolarHBondContact O-N 3.5Å; V263-A266 PolarHBondContact O-N 3.5Å; A266-L270 WeakPolarHBondContact O-CB 3.42Å; A266-L270 WeakPolarHBondContact O-CG 3.49Å; A266-L270 PolarHBondContact O-N 2.72Å
267Y85.4Confident84.1Confident125 Ų12585.4 Ų85.449%0.4946%0.461SS..Hα-helixtrans-59.2-51.1175160.7-102.4000111.5V263 L264 S265 L270 K271V263-Y267 VanDerWaalsContact O-CB 3.28Å; V263-Y267 WeakPolarHBondContact O-CB 3.39Å; V263-Y267 PolarHBondContact O-N 2.78Å; L264-Y267 PolarHBondContact O-N 2.89Å; S265-Y267 VanDerWaalsContact C-N 3.34Å; Y267-L270 PolarHBondContact O-N 2.86Å; Y267-K271 HydrophobicContact CE1-CD 4.38Å; Y267-K271 HydrophobicContact CE2-CD 4.09Å; Y267-K271 WeakPolarHBondContact O-CB 3.19Å; Y267-K271 PolarHBondContact O-N 2.87Å; Y267-K271 PolarHBondContact OH-NZ 3.38Å
268Q86.8Confident84.4Confident122 Ų12286.1 Ų86.157%0.5744%0.444SS*.Hα-helixtrans-59.7-49.8178.6-73.1172-21.400111.2L264 S265 L270 K271 D272L264-Q268 PolarHBondContact O-N 3.17Å; L264-Q268 VanDerWaalsContact O-N 3.11Å; S265-Q268 PolarHBondContact O-N 3.27Å; Q268-L270 PolarHBondContact O-N 2.98Å; Q268-K271 PolarHBondContact O-N 3.37Å; Q268-D272 WeakPolarHBondContact O-CB 3.28Å; Q268-D272 VanDerWaalsContact O-CG 3.23Å; Q268-D272 PolarHBondContact O-N 3.03Å
269A82.9Confident84Confident55 Ų5586.8 Ų86.846%0.45545%0.453SS..Hα-helixtrans-62.7-41.2-17900000113.5S265 K273S265-A269 PolarHBondContact O-N 3.5Å; S265-A269 VanDerWaalsContact O-N 3.14Å; A269-K273 WeakPolarHBondContact O-CB 3.14Å; A269-K273 PolarHBondContact O-N 3.04Å; A269-K273 VanDerWaalsContact O-N 3.09Å
270L81.8Confident83.9Confident83 Ų8387.7 Ų87.744%0.43545%0.453SS..Hα-helixtrans-71.4-39.1177.3-72.7172.4000111.7A266 Y267 Q268 K273 L274A266-L270 WeakPolarHBondContact O-CB 3.42Å; A266-L270 WeakPolarHBondContact O-CG 3.49Å; A266-L270 PolarHBondContact O-N 2.72Å; Y267-L270 PolarHBondContact O-N 2.86Å; Q268-L270 PolarHBondContact O-N 2.98Å; L270-K273 PolarHBondContact O-N 3.09Å; L270-L274 WeakPolarHBondContact O-CB 3.36Å; L270-L274 VanDerWaalsContact O-CG 3.29Å; L270-L274 WeakPolarHBondContact O-CG 3.09Å; L270-L274 PolarHBondContact O-N 3.01Å
271K83.4Confident83.6Confident106 Ų10691.6 Ų91.646%0.46147%0.473SS..Hα-helixtrans-61.6-45.2175.7-175.6177.2-178.6-1800111.2Y267 Q268 L274 T275Y267-K271 HydrophobicContact CE1-CD 4.38Å; Y267-K271 HydrophobicContact CE2-CD 4.09Å; Y267-K271 WeakPolarHBondContact O-CB 3.19Å; Y267-K271 PolarHBondContact O-N 2.87Å; Y267-K271 PolarHBondContact OH-NZ 3.38Å; Q268-K271 PolarHBondContact O-N 3.37Å; K271-L274 PolarHBondContact O-N 3.42Å; K271-T275 WeakPolarHBondContact O-CB 3.36Å; K271-T275 PolarHBondContact O-N 3.31Å; K271-T275 PolarHBondContact O-OG1 3.43Å
272D83.3Confident83.2Confident90 Ų9095.4 Ų95.448%0.48149%0.492SS..Hα-helixtrans-65.7-42.2178.8-67.9-14000111.4Q268 T275 K276Q268-D272 WeakPolarHBondContact O-CB 3.28Å; Q268-D272 VanDerWaalsContact O-CG 3.23Å; Q268-D272 PolarHBondContact O-N 3.03Å; D272-T275 PolarHBondContact O-N 2.94Å; D272-K276 WeakPolarHBondContact O-CB 3.27Å; D272-K276 VanDerWaalsContact O-CG 3.32Å; D272-K276 WeakPolarHBondContact O-CG 3.46Å; D272-K276 PolarHBondContact O-N 3.46Å
273K82Confident82.7Confident143 Ų14394.1 Ų94.162%0.62249%0.493SS*.Hα-helixtrans-61.4-47.6176.1-172.5179-180-176.50111.6A269 L270 K276 S277A269-K273 WeakPolarHBondContact O-CB 3.14Å; A269-K273 PolarHBondContact O-N 3.04Å; A269-K273 VanDerWaalsContact O-N 3.09Å; L270-K273 PolarHBondContact O-N 3.09Å; K273-K276 PolarHBondContact O-N 3.36Å; K273-S277 PolarHBondContact O-N 2.91Å; K273-S277 PolarHBondContact O-OG 3.24Å
274L82Confident82.7Confident123 Ų12394.5 Ų94.564%0.64449%0.494SS*.Hα-helixtrans-62.7-42.6177.7-73.5170.7000111.7L270 K271 S277 L278L270-L274 WeakPolarHBondContact O-CB 3.36Å; L270-L274 VanDerWaalsContact O-CG 3.29Å; L270-L274 WeakPolarHBondContact O-CG 3.09Å; L270-L274 PolarHBondContact O-N 3.01Å; K271-L274 PolarHBondContact O-N 3.42Å; L274-S277 PolarHBondContact O-N 2.74Å; L274-L278 VanDerWaalsContact O-CB 3.27Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 PolarHBondContact O-N 3.34Å
275T80.6Confident82.6Confident71 Ų7194.1 Ų94.144%0.43649%0.488SS..Hα-helixtrans-61.3-47.1177.9-53.30000110.6K271 D272 L278 T279K271-T275 WeakPolarHBondContact O-CB 3.36Å; K271-T275 PolarHBondContact O-N 3.31Å; K271-T275 PolarHBondContact O-OG1 3.43Å; D272-T275 PolarHBondContact O-N 2.94Å; T275-L278 PolarHBondContact O-N 3.47Å; T275-T279 WeakPolarHBondContact O-CG2 3.44Å; T275-T279 PolarHBondContact O-N 3.35Å; T275-T279 PolarHBondContact O-OG1 3.37Å; T275-T279 VanDerWaalsContact O-OG1 3.08Å
276K85Confident82.5Confident152 Ų15297.4 Ų97.466%0.66150%0.502SS*.Hα-helixtrans-61.8-44.6177.4-73.6175.1-178.7-179.60112.9D272 K273 T279 Y280D272-K276 WeakPolarHBondContact O-CB 3.27Å; D272-K276 VanDerWaalsContact O-CG 3.32Å; D272-K276 WeakPolarHBondContact O-CG 3.46Å; D272-K276 PolarHBondContact O-N 3.46Å; K273-K276 PolarHBondContact O-N 3.36Å; K276-T279 WeakPolarHBondContact CA-OG1 3.2Å; K276-T279 PolarHBondContact O-N 3.31Å; K276-T279 PolarHBondContact O-OG1 3.43Å; K276-Y280 WeakPolarHBondContact O-CB 3.07Å; K276-Y280 PolarHBondContact O-N 2.84Å
277S80.8Confident82.8Confident59 Ų59100.4 Ų100.441%0.41352%0.52SS..Hα-helixtrans-64.6-40.3176.8-67.50000112K273 L274 Y280 I281K273-S277 PolarHBondContact O-N 2.91Å; K273-S277 PolarHBondContact O-OG 3.24Å; L274-S277 PolarHBondContact O-N 2.74Å; S277-Y280 PolarHBondContact O-N 3.17Å; S277-I281 WeakPolarHBondContact O-CG1 3.47Å; S277-I281 PolarHBondContact O-N 2.94Å
278L80.8Confident82.9Confident103 Ų10398.1 Ų98.154%0.53952%0.518SS..Hα-helixtrans-65.4-45.9176.4-174.4113.1000111.5L274 T275 Y280 I281 L282L274-L278 VanDerWaalsContact O-CB 3.27Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 PolarHBondContact O-N 3.34Å; T275-L278 PolarHBondContact O-N 3.47Å; L278-Y280 PolarHBondContact O-N 2.95Å; L278-I281 PolarHBondContact O-N 3.47Å; L278-L282 HydrophobicContact CD2-CD1 3.62Å; L278-L282 HydrophobicContact CG-CD1 3.89Å; L278-L282 HydrophobicContact CG-CG 4.38Å; L278-L282 WeakPolarHBondContact O-CB 3.43Å; L278-L282 VanDerWaalsContact O-CG 3.32Å; L278-L282 WeakPolarHBondContact O-CG 3.32Å; L278-L282 PolarHBondContact O-N 2.99Å
279T79.3Confident82.9Confident81 Ų8197.5 Ų97.550%0.49752%0.516SS..Hα-helixtrans-61.3-34.3176.850.40000112.3T275 K276 G283T275-T279 WeakPolarHBondContact O-CG2 3.44Å; T275-T279 PolarHBondContact O-N 3.35Å; T275-T279 PolarHBondContact O-OG1 3.37Å; T275-T279 VanDerWaalsContact O-OG1 3.08Å; K276-T279 WeakPolarHBondContact CA-OG1 3.2Å; K276-T279 PolarHBondContact O-N 3.31Å; K276-T279 PolarHBondContact O-OG1 3.43Å; T279-G283 PolarHBondContact O-N 2.95Å
280Y83.1Confident83.3Confident155 Ų15598.6 Ų98.661%0.60852%0.517SS*.Hα-helixtrans-67.8-47174.8178.2-96.8000111.9K276 S277 L278 L282 G283 N284K276-Y280 WeakPolarHBondContact O-CB 3.07Å; K276-Y280 PolarHBondContact O-N 2.84Å; S277-Y280 PolarHBondContact O-N 3.17Å; L278-Y280 PolarHBondContact O-N 2.95Å; Y280-L282 VanDerWaalsContact C-N 3.34Å; Y280-L282 PolarHBondContact O-N 3.15Å; Y280-G283 PolarHBondContact O-N 2.91Å; Y280-N284 WeakPolarHBondContact O-CB 3.31Å; Y280-N284 PolarHBondContact O-N 3.49Å; Y280-N284 PolarHBondContact O-OD1 3.26Å; Y280-N284 PolarHBondContact OH-ND2 3.25Å
281I80.5Confident83.9Confident122 Ų12299.6 Ų99.663%0.62652%0.519SS*.Hα-helixtrans-62-44.3178.3-67.8167.1000110.7S277 L278 N284 Q285S277-I281 WeakPolarHBondContact O-CG1 3.47Å; S277-I281 PolarHBondContact O-N 2.94Å; L278-I281 PolarHBondContact O-N 3.47Å; I281-N284 PolarHBondContact O-N 3.03Å; I281-Q285 PolarHBondContact O-N 3.47Å
282L79.8Confident84.4Confident99 Ų9997.7 Ų97.752%0.51851%0.513SS..Hα-helixtrans-67.2-39177.4-68.2173.6000112.1L278 Y280 N284 Q285L278-L282 HydrophobicContact CD2-CD1 3.62Å; L278-L282 HydrophobicContact CG-CD1 3.89Å; L278-L282 HydrophobicContact CG-CG 4.38Å; L278-L282 WeakPolarHBondContact O-CB 3.43Å; L278-L282 VanDerWaalsContact O-CG 3.32Å; L278-L282 WeakPolarHBondContact O-CG 3.32Å; L278-L282 PolarHBondContact O-N 2.99Å; Y280-L282 VanDerWaalsContact C-N 3.34Å; Y280-L282 PolarHBondContact O-N 3.15Å; L282-N284 VanDerWaalsContact C-N 3.29Å; L282-N284 PolarHBondContact O-N 2.9Å; L282-Q285 VanDerWaalsContact O-CB 3.28Å; L282-Q285 WeakPolarHBondContact O-CB 3.27Å; L282-Q285 PolarHBondContact O-N 2.73Å
283G78.4Confident85Confident49 Ų4995.8 Ų95.851%0.50551%0.506SS..Hα-helixtrans-67.8-27.7176.900000113.7T279 Y280T279-G283 PolarHBondContact O-N 2.95Å; Y280-G283 PolarHBondContact O-N 2.91Å
284N87.6Confident85.7Confident54 Ų5494.5 Ų94.529%0.28950%0.502SS..THydrogen-bonded Turntrans-89.60.7178-73.526.9000113.4Y280 I281 L282 D286 T287 V288Y280-N284 WeakPolarHBondContact O-CB 3.31Å; Y280-N284 PolarHBondContact O-N 3.49Å; Y280-N284 PolarHBondContact O-OD1 3.26Å; Y280-N284 PolarHBondContact OH-ND2 3.25Å; I281-N284 PolarHBondContact O-N 3.03Å; L282-N284 VanDerWaalsContact C-N 3.29Å; L282-N284 PolarHBondContact O-N 2.9Å; N284-D286 VanDerWaalsContact C-N 3.3Å; N284-D286 PolarHBondContact O-N 2.97Å; N284-T287 WeakPolarHBondContact O-CB 3.45Å; N284-T287 PolarHBondContact O-N 2.64Å; N284-T287 VanDerWaalsContact O-N 3.16Å; N284-V288 PolarHBondContact O-N 2.8Å
285Q82.6Confident86.4Confident125 Ų12594.3 Ų94.358%0.58450%0.501SS*.Hα-helixtrans-58.4-44.4179.8-177.3174.7-6.100111.4I281 L282 T287 V288 Q289I281-Q285 PolarHBondContact O-N 3.47Å; L282-Q285 VanDerWaalsContact O-CB 3.28Å; L282-Q285 WeakPolarHBondContact O-CB 3.27Å; L282-Q285 PolarHBondContact O-N 2.73Å; Q285-T287 VanDerWaalsContact C-N 3.32Å; Q285-T287 PolarHBondContact O-N 2.92Å; Q285-V288 PolarHBondContact O-N 2.91Å; Q285-Q289 PolarHBondContact O-N 2.86Å
286D82.2Confident87.1Confident122 Ų12296.7 Ų96.765%0.65251%0.508SS*.Hα-helixtrans-64.2-38.3177.6-65.6-26000111.4N284 V288 Q289 T290N284-D286 VanDerWaalsContact C-N 3.3Å; N284-D286 PolarHBondContact O-N 2.97Å; D286-V288 PolarHBondContact O-N 3.48Å; D286-Q289 WeakPolarHBondContact O-CB 3.46Å; D286-Q289 PolarHBondContact O-N 2.84Å; D286-T290 PolarHBondContact O-N 2.99Å; D286-T290 PolarHBondContact O-OG1 3.03Å
287T90.1Very high87.6Confident70 Ų7095.4 Ų95.443%0.42950%0.504SS..Hα-helixtrans-62.2-44.2176.3-49.20000112N284 Q285 Q289 T290 Q291N284-T287 WeakPolarHBondContact O-CB 3.45Å; N284-T287 PolarHBondContact O-N 2.64Å; N284-T287 VanDerWaalsContact O-N 3.16Å; Q285-T287 VanDerWaalsContact C-N 3.32Å; Q285-T287 PolarHBondContact O-N 2.92Å; T287-Q289 VanDerWaalsContact C-N 3.3Å; T287-Q289 PolarHBondContact O-N 2.89Å; T287-T290 PolarHBondContact O-N 2.95Å; T287-Q291 VanDerWaalsContact O-CG 3.32Å; T287-Q291 WeakPolarHBondContact O-CG 3.18Å; T287-Q291 PolarHBondContact O-N 3.15Å
288V88.7Confident88.4Confident76 Ų7695 Ų9546%0.46150%0.504SS..Hα-helixtrans-64.2-39.3176.3175.20000110.4N284 Q285 D286 Q291 I292N284-V288 PolarHBondContact O-N 2.8Å; Q285-V288 PolarHBondContact O-N 2.91Å; D286-V288 PolarHBondContact O-N 3.48Å; V288-Q291 PolarHBondContact O-N 3.06Å; V288-I292 HydrophobicContact CG1-CD1 4.18Å; V288-I292 WeakPolarHBondContact O-CG1 3.42Å; V288-I292 PolarHBondContact O-N 3.06Å
289Q86.6Confident89.1Confident110 Ų11094 Ų9451%0.51450%0.502SS..Hα-helixtrans-63.6-42.8175.8-16865.82800111.8Q285 D286 T287 I292 C293Q285-Q289 PolarHBondContact O-N 2.86Å; D286-Q289 WeakPolarHBondContact O-CB 3.46Å; D286-Q289 PolarHBondContact O-N 2.84Å; T287-Q289 VanDerWaalsContact C-N 3.3Å; T287-Q289 PolarHBondContact O-N 2.89Å; Q289-I292 PolarHBondContact O-N 2.9Å; Q289-C293 PolarHBondContact O-N 3.36Å; Q289-C293 PolarHBondContact O-SG 2.84Å; Q289-C293 VanDerWaalsContact O-SG 3.38Å
290T91.8Very high90Very high78 Ų7897.3 Ų97.348%0.47951%0.505SS..Hα-helixtrans-60.4-45.1174.1-55.40000111.4D286 T287 I292 C293 E294D286-T290 PolarHBondContact O-N 2.99Å; D286-T290 PolarHBondContact O-OG1 3.03Å; T287-T290 PolarHBondContact O-N 2.95Å; T290-I292 VanDerWaalsContact C-N 3.3Å; T290-I292 PolarHBondContact O-N 3.03Å; T290-C293 PolarHBondContact O-N 3.16Å; T290-C293 VanDerWaalsContact O-N 3.15Å; T290-E294 WeakPolarHBondContact O-CG 3.25Å; T290-E294 PolarHBondContact O-N 3.37Å
291Q93.7Very high90.6Very high103 Ų10395.7 Ų95.748%0.48150%0.503SS..Hα-helixtrans-60.8-38.5176.5-72.6174.4-18.200112.4T287 V288 E294 L295T287-Q291 VanDerWaalsContact O-CG 3.32Å; T287-Q291 WeakPolarHBondContact O-CG 3.18Å; T287-Q291 PolarHBondContact O-N 3.15Å; V288-Q291 PolarHBondContact O-N 3.06Å; Q291-E294 PolarHBondContact O-N 2.75Å; Q291-L295 VanDerWaalsContact O-CG 3.29Å; Q291-L295 WeakPolarHBondContact O-CG 3.42Å; Q291-L295 PolarHBondContact O-N 2.86Å
292I94.6Very high91.3Very high67 Ų6794.5 Ų94.534%0.34450%0.502SS..Hα-helixtrans-61.5-48.1173.8-70166000110.1V288 Q289 T290 E294 L295 E296V288-I292 HydrophobicContact CG1-CD1 4.18Å; V288-I292 WeakPolarHBondContact O-CG1 3.42Å; V288-I292 PolarHBondContact O-N 3.06Å; Q289-I292 PolarHBondContact O-N 2.9Å; T290-I292 VanDerWaalsContact C-N 3.3Å; T290-I292 PolarHBondContact O-N 3.03Å; I292-E294 PolarHBondContact O-N 3.25Å; I292-L295 PolarHBondContact O-N 2.84Å; I292-E296 HydrophobicContact CG2-CG 4.31Å; I292-E296 WeakPolarHBondContact O-CG 3.33Å; I292-E296 PolarHBondContact O-N 3.31Å
293C95.2Very high92.1Very high49 Ų4995.5 Ų95.533%0.33150%0.504SS..Hα-helixtrans-61.5-42178.4-65.10000112.4Q289 T290 L295 E296 E297Q289-C293 PolarHBondContact O-N 3.36Å; Q289-C293 PolarHBondContact O-SG 2.84Å; Q289-C293 VanDerWaalsContact O-SG 3.38Å; T290-C293 PolarHBondContact O-N 3.16Å; T290-C293 VanDerWaalsContact O-N 3.15Å; C293-L295 VanDerWaalsContact C-N 3.31Å; C293-L295 PolarHBondContact O-N 3.31Å; C293-E296 PolarHBondContact O-N 3.43Å; C293-E297 WeakPolarHBondContact O-CG 3.47Å; C293-E297 PolarHBondContact O-N 3.08Å
294E95.7Very high92.9Very high116 Ų11696.6 Ų96.654%0.54250%0.5SS..Hα-helixtrans-59.5-41175-73175.8176.800111.9T290 Q291 I292 A298T290-E294 WeakPolarHBondContact O-CG 3.25Å; T290-E294 PolarHBondContact O-N 3.37Å; Q291-E294 PolarHBondContact O-N 2.75Å; I292-E294 PolarHBondContact O-N 3.25Å; E294-A298 WeakPolarHBondContact O-CB 3.44Å; E294-A298 PolarHBondContact O-N 2.9Å
295L96.6Very high93.3Very high119 Ų11996.9 Ų96.962%0.62351%0.507SS*.Hα-helixtrans-68.3-42.3176.4-70.9172.2000112Q291 I292 C293 E297 A298 V299Q291-L295 VanDerWaalsContact O-CG 3.29Å; Q291-L295 WeakPolarHBondContact O-CG 3.42Å; Q291-L295 PolarHBondContact O-N 2.86Å; I292-L295 PolarHBondContact O-N 2.84Å; C293-L295 VanDerWaalsContact C-N 3.31Å; C293-L295 PolarHBondContact O-N 3.31Å; L295-E297 VanDerWaalsContact C-N 3.33Å; L295-E297 PolarHBondContact O-N 3.34Å; L295-A298 PolarHBondContact O-N 3.19Å; L295-V299 WeakPolarHBondContact O-CG2 3.32Å; L295-V299 PolarHBondContact O-N 3.29Å
296E96.4Very high93.9Very high121 Ų12192.4 Ų92.457%0.56550%0.495SS*.Hα-helixtrans-61.6-41175.9-72.8174.6161.400111.6I292 C293 V299 R300I292-E296 HydrophobicContact CG2-CG 4.31Å; I292-E296 WeakPolarHBondContact O-CG 3.33Å; I292-E296 PolarHBondContact O-N 3.31Å; C293-E296 PolarHBondContact O-N 3.43Å; E296-V299 PolarHBondContact O-N 3.35Å; E296-R300 PolarHBondContact O-N 2.91Å
297E96.1Very high94.5Very high126 Ų12693 Ų9359%0.58949%0.493SS*.Hα-helixtrans-64.6-42.1174-75-178-178.500112.2C293 L295 V299 R300 H301C293-E297 WeakPolarHBondContact O-CG 3.47Å; C293-E297 PolarHBondContact O-N 3.08Å; L295-E297 VanDerWaalsContact C-N 3.33Å; L295-E297 PolarHBondContact O-N 3.34Å; E297-V299 VanDerWaalsContact C-N 3.34Å; E297-V299 PolarHBondContact O-N 3.48Å; E297-R300 PolarHBondContact O-N 2.85Å; E297-H301 WeakPolarHBondContact O-CB 3.48Å; E297-H301 PolarHBondContact O-N 3.09Å
298A95.9Very high94.7Very high49 Ų4995.3 Ų95.341%0.40550%0.499SS..Hα-helixtrans-63-39.1175.800000112.2E294 L295 T302E294-A298 WeakPolarHBondContact O-CB 3.44Å; E294-A298 PolarHBondContact O-N 2.9Å; L295-A298 PolarHBondContact O-N 3.19Å; A298-T302 WeakPolarHBondContact O-CB 3.3Å; A298-T302 PolarHBondContact O-N 3.45Å; A298-T302 PolarHBondContact O-OG1 2.84Å
299V96.9Very high94.8Very high83 Ų8394 Ų9450%0.50350%0.496SS..Hα-helixtrans-60.6-53.9173169.10000110L295 E296 E297 H301 T302 E303L295-V299 WeakPolarHBondContact O-CG2 3.32Å; L295-V299 PolarHBondContact O-N 3.29Å; E296-V299 PolarHBondContact O-N 3.35Å; E297-V299 VanDerWaalsContact C-N 3.34Å; E297-V299 PolarHBondContact O-N 3.48Å; V299-H301 VanDerWaalsContact C-N 3.32Å; V299-H301 PolarHBondContact O-N 3.12Å; V299-T302 WeakPolarHBondContact O-CB 3.44Å; V299-T302 PolarHBondContact O-N 3.02Å; V299-T302 VanDerWaalsContact O-N 3.11Å; V299-E303 WeakPolarHBondContact O-CG 3.47Å; V299-E303 PolarHBondContact O-N 2.83Å
300R96.9Very high95.2Very high150 Ų15096 Ų9657%0.56650%0.503SS*.Hα-helixtrans-58.2-42.9179.7-171.2-169.465.475.31.2112.1E296 E297 E303 V304E296-R300 PolarHBondContact O-N 2.91Å; E297-R300 PolarHBondContact O-N 2.85Å; R300-E303 PolarHBondContact O-N 3.44Å; R300-V304 WeakPolarHBondContact O-CG2 3.26Å; R300-V304 PolarHBondContact O-N 2.71Å
301H96.3Very high95.4Very high122 Ų12296.2 Ų96.257%0.56550%0.499SS*.Hα-helixtrans-62.8-42.6177.3179.6-88.1000111.8E297 V299 V304 S305E297-H301 WeakPolarHBondContact O-CB 3.48Å; E297-H301 PolarHBondContact O-N 3.09Å; V299-H301 VanDerWaalsContact C-N 3.32Å; V299-H301 PolarHBondContact O-N 3.12Å; H301-V304 PolarHBondContact O-N 2.95Å; H301-S305 VanDerWaalsContact O-CB 3.25Å; H301-S305 WeakPolarHBondContact O-CB 3.4Å; H301-S305 PolarHBondContact O-N 2.87Å
302T94.2Very high95.4Very high97 Ų9796 Ų9660%0.59550%0.498SS*.Hα-helixtrans-64.1-39.9177.6-570000111.7A298 V299 G306A298-T302 WeakPolarHBondContact O-CB 3.3Å; A298-T302 PolarHBondContact O-N 3.45Å; A298-T302 PolarHBondContact O-OG1 2.84Å; V299-T302 WeakPolarHBondContact O-CB 3.44Å; V299-T302 PolarHBondContact O-N 3.02Å; V299-T302 VanDerWaalsContact O-N 3.11Å; T302-G306 PolarHBondContact O-N 3.45Å
303E96.9Very high95.3Very high120 Ų12095.6 Ų95.656%0.56150%0.499SS*.Hα-helixtrans-62.6-48.8175.4-70.9177.1159.700112V299 R300 G306 Q307V299-E303 WeakPolarHBondContact O-CG 3.47Å; V299-E303 PolarHBondContact O-N 2.83Å; R300-E303 PolarHBondContact O-N 3.44Å; E303-G306 PolarHBondContact O-N 3.12Å; E303-Q307 WeakPolarHBondContact O-CG 3.19Å; E303-Q307 PolarHBondContact O-N 2.61Å
304V96.9Very high95.3Very high71 Ų7195.8 Ų95.843%0.4350%0.501SS..Hα-helixtrans-63.1-46.1178.1173.80000111.1R300 H301 G306 Q307 Q308R300-V304 WeakPolarHBondContact O-CG2 3.26Å; R300-V304 PolarHBondContact O-N 2.71Å; H301-V304 PolarHBondContact O-N 2.95Å; V304-G306 VanDerWaalsContact C-N 3.33Å; V304-G306 PolarHBondContact O-N 2.94Å; V304-Q307 PolarHBondContact O-N 3.18Å; V304-Q308 PolarHBondContact O-N 2.85Å
305S94.7Very high95.3Very high60 Ų6095.2 Ų95.242%0.4250%0.498SS..Hα-helixtrans-60.7-42.7176.9179.30000111.7H301 Q307 Q308 A309H301-S305 VanDerWaalsContact O-CB 3.25Å; H301-S305 WeakPolarHBondContact O-CB 3.4Å; H301-S305 PolarHBondContact O-N 2.87Å; S305-Q307 PolarHBondContact O-N 3.47Å; S305-Q308 PolarHBondContact O-N 2.86Å; S305-A309 PolarHBondContact O-N 3.42Å
306G94.6Very high95.2Very high32 Ų3295.3 Ų95.333%0.3350%0.498SS..Hα-helixtrans-63.8-38.6175.400000113.2T302 E303 V304 K310T302-G306 PolarHBondContact O-N 3.45Å; E303-G306 PolarHBondContact O-N 3.12Å; V304-G306 VanDerWaalsContact C-N 3.33Å; V304-G306 PolarHBondContact O-N 2.94Å; G306-K310 WeakPolarHBondContact O-CG 3.45Å; G306-K310 PolarHBondContact O-N 3.29Å
307Q96Very high95.1Very high134 Ų13493.6 Ų93.663%0.62650%0.496SS*.Hα-helixtrans-64.5-43.8173.2-76.6179.5-170.800112E303 V304 S305 K310 E311E303-Q307 WeakPolarHBondContact O-CG 3.19Å; E303-Q307 PolarHBondContact O-N 2.61Å; V304-Q307 PolarHBondContact O-N 3.18Å; S305-Q307 PolarHBondContact O-N 3.47Å; Q307-K310 PolarHBondContact O-N 3.27Å; Q307-E311 PolarHBondContact O-N 3.47Å
308Q94.9Very high95.1Very high118 Ų11894.3 Ų94.355%0.55149%0.493SS*.Hα-helixtrans-61.7-46.2178-173.9178.8-19.400111.5V304 S305 K310 E311 E312V304-Q308 PolarHBondContact O-N 2.85Å; S305-Q308 PolarHBondContact O-N 2.86Å; Q308-K310 VanDerWaalsContact C-N 3.28Å; Q308-K310 PolarHBondContact O-N 2.62Å; Q308-E311 PolarHBondContact O-N 2.64Å; Q308-E311 VanDerWaalsContact O-N 3.15Å; Q308-E312 PolarHBondContact NE2-OE1 3.31Å; Q308-E312 WeakPolarHBondContact O-CG 3.11Å; Q308-E312 PolarHBondContact O-N 3.35Å
309A90.4Very high95.1Very high49 Ų4993.8 Ų93.841%0.40549%0.493SS..Hα-helixtrans-59.5-37.6176.800000112.6S305 V313S305-A309 PolarHBondContact O-N 3.42Å; A309-V313 WeakPolarHBondContact O-CG2 3.29Å; A309-V313 PolarHBondContact O-N 2.95Å
310K93.9Very high95Very high152 Ų15293.6 Ų93.666%0.66149%0.489SS*.Hα-helixtrans-65-43.5174.9-73.9173.9-177.8177.90112.3G306 Q307 Q308 V313 S314G306-K310 WeakPolarHBondContact O-CG 3.45Å; G306-K310 PolarHBondContact O-N 3.29Å; Q307-K310 PolarHBondContact O-N 3.27Å; Q308-K310 VanDerWaalsContact C-N 3.28Å; Q308-K310 PolarHBondContact O-N 2.62Å; K310-V313 PolarHBondContact O-N 3.48Å; K310-S314 PolarHBondContact O-N 3.46Å; K310-S314 PolarHBondContact O-OG 3.01Å
311E96.2Very high94.9Very high83 Ų8388.1 Ų88.139%0.38848%0.478SS..Hα-helixtrans-65.8-40.8178.6-178.255.7-144.900111.4Q307 Q308 V313 S314 Q315 R318Q307-E311 PolarHBondContact O-N 3.47Å; Q308-E311 PolarHBondContact O-N 2.64Å; Q308-E311 VanDerWaalsContact O-N 3.15Å; E311-V313 PolarHBondContact O-N 3.27Å; E311-S314 WeakPolarHBondContact O-CB 3.08Å; E311-S314 PolarHBondContact O-N 2.93Å; E311-Q315 WeakPolarHBondContact O-CG 3.3Å; E311-Q315 PolarHBondContact O-N 3.33Å; E311-Q315 WeakPolarHBondContact OE1-CG 3.38Å; E311-Q315 PolarHBondContact OE1-NE2 3.47Å; E311-R318 IonicContact OE1-CZ 2.92Å; E311-R318 IonicContact OE1-NH1 3.22Å; E311-R318 IonicContact OE1-NH2 2.85Å; E311-R318 PolarHBondContact OE1-NH2 3.04Å
312E93.2Very high95Very high97 Ų9785.2 Ų85.245%0.45348%0.475SS..Hα-helixtrans-58.9-45.1174.9-73.1175.6-165.600112Q308 S314 Q315 L316Q308-E312 PolarHBondContact NE2-OE1 3.31Å; Q308-E312 WeakPolarHBondContact O-CG 3.11Å; Q308-E312 PolarHBondContact O-N 3.35Å; E312-S314 PolarHBondContact O-N 2.93Å; E312-Q315 PolarHBondContact O-N 3.41Å; E312-L316 WeakPolarHBondContact O-CG 3.27Å; E312-L316 PolarHBondContact O-N 3.43Å
313V93.2Very high95.1Very high60 Ų6085 Ų8536%0.36447%0.474SS..Hα-helixtrans-62.2-44.1174.9172.70000111A309 K310 E311 Q315 L316 V317 F426A309-V313 WeakPolarHBondContact O-CG2 3.29Å; A309-V313 PolarHBondContact O-N 2.95Å; K310-V313 PolarHBondContact O-N 3.48Å; E311-V313 PolarHBondContact O-N 3.27Å; V313-Q315 VanDerWaalsContact C-N 3.32Å; V313-Q315 PolarHBondContact O-N 3.2Å; V313-L316 PolarHBondContact O-N 3.24Å; V313-V317 HydrophobicContact CG1-CG2 4.41Å; V313-V317 WeakPolarHBondContact O-CG2 3.43Å; V313-V317 PolarHBondContact O-N 3.12Å; V313-F426 HydrophobicContact CG2-CE1 3.89Å
314S95.6Very high95Very high53 Ų5383.6 Ų83.637%0.37147%0.47SS..Hα-helixtrans-61.5-39.3177.3-71.60000112.3K310 E311 E312 R318K310-S314 PolarHBondContact O-N 3.46Å; K310-S314 PolarHBondContact O-OG 3.01Å; E311-S314 WeakPolarHBondContact O-CB 3.08Å; E311-S314 PolarHBondContact O-N 2.93Å; E312-S314 PolarHBondContact O-N 2.93Å; S314-R318 WeakPolarHBondContact O-CB 3.32Å; S314-R318 VanDerWaalsContact O-CG 3.27Å; S314-R318 WeakPolarHBondContact O-CG 3.46Å; S314-R318 PolarHBondContact O-N 2.95Å
315Q96.1Very high94.9Very high104 Ų10485.3 Ų85.349%0.48647%0.473SS..Hα-helixtrans-63-46.2174.7-74.8174.314.200112.2E311 E312 V313 V317 R318 G319E311-Q315 WeakPolarHBondContact O-CG 3.3Å; E311-Q315 PolarHBondContact O-N 3.33Å; E311-Q315 WeakPolarHBondContact OE1-CG 3.38Å; E311-Q315 PolarHBondContact OE1-NE2 3.47Å; E312-Q315 PolarHBondContact O-N 3.41Å; V313-Q315 VanDerWaalsContact C-N 3.32Å; V313-Q315 PolarHBondContact O-N 3.2Å; Q315-V317 PolarHBondContact O-N 3.18Å; Q315-R318 PolarHBondContact O-N 3.47Å; Q315-G319 PolarHBondContact O-N 3.44Å
316L93.9Very high95.1Very high120 Ų12089.4 Ų89.463%0.62849%0.486SS*.Hα-helixtrans-62.2-43.6179-70.1171000112E312 V313 G319 L320E312-L316 WeakPolarHBondContact O-CG 3.27Å; E312-L316 PolarHBondContact O-N 3.43Å; V313-L316 PolarHBondContact O-N 3.24Å; L316-G319 PolarHBondContact O-N 2.99Å; L316-L320 PolarHBondContact O-N 3.45Å
317V93.9Very high95.1Very high86 Ų8693.7 Ų93.752%0.52150%0.495SS..Hα-helixtrans-68.4-39.7178176.30000111.5V313 Q315 G319 L320 G321V313-V317 HydrophobicContact CG1-CG2 4.41Å; V313-V317 WeakPolarHBondContact O-CG2 3.43Å; V313-V317 PolarHBondContact O-N 3.12Å; Q315-V317 PolarHBondContact O-N 3.18Å; V317-G319 VanDerWaalsContact C-N 3.29Å; V317-G319 PolarHBondContact O-N 3.33Å; V317-L320 PolarHBondContact O-N 3.43Å; V317-G321 PolarHBondContact O-N 3.02Å
318R95.9Very high95.1Very high140 Ų14094.1 Ų94.153%0.52849%0.491SS..Hα-helixtrans-59.9-40.5172-76.1-171.1-55.5-110.18.2111.6E311 S314 Q315 G321 A322E311-R318 IonicContact OE1-CZ 2.92Å; E311-R318 IonicContact OE1-NH1 3.22Å; E311-R318 IonicContact OE1-NH2 2.85Å; E311-R318 PolarHBondContact OE1-NH2 3.04Å; S314-R318 WeakPolarHBondContact O-CB 3.32Å; S314-R318 VanDerWaalsContact O-CG 3.27Å; S314-R318 WeakPolarHBondContact O-CG 3.46Å; S314-R318 PolarHBondContact O-N 2.95Å; Q315-R318 PolarHBondContact O-N 3.47Å; R318-G321 PolarHBondContact O-N 3.07Å; R318-A322 PolarHBondContact O-N 2.92Å
319G96.4Very high95.2Very high38 Ų3891.3 Ų91.339%0.39249%0.488SS..Hα-helixtrans-60.4-46.1174.700000112.9Q315 L316 V317 G321 A322 V323Q315-G319 PolarHBondContact O-N 3.44Å; L316-G319 PolarHBondContact O-N 2.99Å; V317-G319 VanDerWaalsContact C-N 3.29Å; V317-G319 PolarHBondContact O-N 3.33Å; G319-G321 VanDerWaalsContact C-N 3.32Å; G319-G321 PolarHBondContact O-N 2.86Å; G319-A322 PolarHBondContact O-N 3.49Å; G319-V323 PolarHBondContact O-N 2.77Å
320L95.3Very high95.5Very high80 Ų8091.9 Ų91.942%0.41949%0.489SS..Hα-helixtrans-59.4-42.7173.5-73.7170.8000111.9L316 V317 A322 V323 L324 L424L316-L320 PolarHBondContact O-N 3.45Å; V317-L320 PolarHBondContact O-N 3.43Å; L320-A322 VanDerWaalsContact C-N 3.35Å; L320-A322 PolarHBondContact O-N 2.94Å; L320-V323 PolarHBondContact O-N 2.99Å; L320-L324 WeakPolarHBondContact O-CG 3.48Å; L320-L324 PolarHBondContact O-N 3.44Å; L320-L324 VanDerWaalsContact O-N 3.08Å; L320-L424 HydrophobicContact CD1-CD1 4.21Å
321G95.1Very high95.6Very high34 Ų3487.6 Ų87.635%0.35147%0.473SS..Hα-helixtrans-59.6-42.2175.800000113V317 R318 G319 V323 L324 E325V317-G321 PolarHBondContact O-N 3.02Å; R318-G321 PolarHBondContact O-N 3.07Å; G319-G321 VanDerWaalsContact C-N 3.32Å; G319-G321 PolarHBondContact O-N 2.86Å; G321-V323 PolarHBondContact O-N 2.88Å; G321-L324 PolarHBondContact O-N 2.78Å; G321-E325 PolarHBondContact O-N 2.86Å
322A97.1Very high95.6Very high61 Ų6188.3 Ų88.350%0.50448%0.479SS..Hα-helixtrans-61.7-44.3177.800000112.4R318 G319 L320 L324 E325 E326R318-A322 PolarHBondContact O-N 2.92Å; G319-A322 PolarHBondContact O-N 3.49Å; L320-A322 VanDerWaalsContact C-N 3.35Å; L320-A322 PolarHBondContact O-N 2.94Å; A322-L324 VanDerWaalsContact C-N 3.32Å; A322-L324 PolarHBondContact O-N 2.83Å; A322-E325 PolarHBondContact O-N 3.09Å; A322-E326 PolarHBondContact O-N 2.96Å
323V96.6Very high95.8Very high93 Ų9388.9 Ų88.956%0.56448%0.482SS*.Hα-helixtrans-63.6-38.3176.8176.10000111.4G319 L320 G321 K327G319-V323 PolarHBondContact O-N 2.77Å; L320-V323 PolarHBondContact O-N 2.99Å; G321-V323 PolarHBondContact O-N 2.88Å; V323-K327 WeakPolarHBondContact O-CB 3.48Å; V323-K327 PolarHBondContact O-N 2.9Å
324L94.8Very high95.9Very high91 Ų9188.5 Ų88.548%0.47649%0.485SS..Hα-helixtrans-67-41.9176.9-71.9173000112.3L320 G321 A322 K327 R328L320-L324 WeakPolarHBondContact O-CG 3.48Å; L320-L324 PolarHBondContact O-N 3.44Å; L320-L324 VanDerWaalsContact O-N 3.08Å; G321-L324 PolarHBondContact O-N 2.78Å; A322-L324 VanDerWaalsContact C-N 3.32Å; A322-L324 PolarHBondContact O-N 2.83Å; L324-K327 PolarHBondContact O-N 2.88Å; L324-R328 WeakPolarHBondContact O-CB 3.22Å; L324-R328 PolarHBondContact O-N 2.9Å
325E96.1Very high95.9Very high107 Ų10788.9 Ų88.950%0.548%0.482SS..Hα-helixtrans-67-38.7175.9-73.1-61.215600112G321 A322 K327 R328 A329G321-E325 PolarHBondContact O-N 2.86Å; A322-E325 PolarHBondContact O-N 3.09Å; E325-K327 PolarHBondContact O-N 3.33Å; E325-R328 WeakPolarHBondContact O-CB 3.38Å; E325-R328 PolarHBondContact O-N 2.96Å; E325-R328 IonicContact OE1-NH1 3.54Å; E325-R328 PolarHBondContact OE1-NH1 3.49Å; E325-R328 VanDerWaalsContact OE2-CD 3.28Å; E325-R328 WeakPolarHBondContact OE2-CD 3.46Å; E325-R328 IonicContact OE2-CZ 3.45Å; E325-R328 IonicContact OE2-NE 2.72Å; E325-R328 IonicContact OE2-NH1 2.64Å; E325-R328 PolarHBondContact OE2-NH1 2.97Å; E325-R328 VanDerWaalsContact OE2-NH1 3.1Å; E325-A329 WeakPolarHBondContact O-CB 3.48Å; E325-A329 PolarHBondContact O-N 3.14Å
326E97.4Very high95.9Very high146 Ų14689 Ų8968%0.68248%0.483SS*.Hα-helixtrans-60.5-45.6172.3-175.3-179.1-178.600111.1A322 R328 A329 S330A322-E326 PolarHBondContact O-N 2.96Å; E326-R328 VanDerWaalsContact C-N 3.34Å; E326-R328 PolarHBondContact O-N 2.98Å; E326-A329 PolarHBondContact O-N 3.12Å; E326-S330 PolarHBondContact O-N 3.4Å
327K95.3Very high96Very high121 Ų12188.2 Ų88.253%0.52648%0.476SS..Hα-helixtrans-64.4-39.7178.2-170.958.8175.31780112V323 L324 E325 S330 L331V323-K327 WeakPolarHBondContact O-CB 3.48Å; V323-K327 PolarHBondContact O-N 2.9Å; L324-K327 PolarHBondContact O-N 2.88Å; E325-K327 PolarHBondContact O-N 3.33Å; K327-S330 PolarHBondContact O-N 2.82Å; K327-L331 HydrophobicContact CG-CD1 4.25Å; K327-L331 VanDerWaalsContact O-CG 3.3Å; K327-L331 WeakPolarHBondContact O-CG 3.28Å; K327-L331 PolarHBondContact O-N 2.69Å
328R95.2Very high96Very high143 Ų14385.4 Ų85.454%0.5446%0.46SS..Hα-helixtrans-59.4-49.1174176.5-167.3174.6-179.2-0.2111.1L324 E325 E326 S330 L331 L332L324-R328 WeakPolarHBondContact O-CB 3.22Å; L324-R328 PolarHBondContact O-N 2.9Å; E325-R328 WeakPolarHBondContact O-CB 3.38Å; E325-R328 PolarHBondContact O-N 2.96Å; E325-R328 IonicContact OE1-NH1 3.54Å; E325-R328 PolarHBondContact OE1-NH1 3.49Å; E325-R328 VanDerWaalsContact OE2-CD 3.28Å; E325-R328 WeakPolarHBondContact OE2-CD 3.46Å; E325-R328 IonicContact OE2-CZ 3.45Å; E325-R328 IonicContact OE2-NE 2.72Å; E325-R328 IonicContact OE2-NH1 2.64Å; E325-R328 PolarHBondContact OE2-NH1 2.97Å; E325-R328 VanDerWaalsContact OE2-NH1 3.1Å; E326-R328 VanDerWaalsContact C-N 3.34Å; E326-R328 PolarHBondContact O-N 2.98Å; R328-S330 VanDerWaalsContact C-N 3.35Å; R328-S330 PolarHBondContact O-N 2.94Å; R328-L331 PolarHBondContact O-N 2.68Å; R328-L332 HydrophobicContact CG-CD1 4.1Å; R328-L332 WeakPolarHBondContact O-CG 2.86Å; R328-L332 PolarHBondContact O-N 3.17Å
329A97.4Very high95.9Very high59 Ų5983.1 Ų83.149%0.48846%0.455SS..Hα-helixtrans-58.8-46.5178.900000111.5E325 E326 L331 L332 Q333E325-A329 WeakPolarHBondContact O-CB 3.48Å; E325-A329 PolarHBondContact O-N 3.14Å; E326-A329 PolarHBondContact O-N 3.12Å; A329-L331 PolarHBondContact O-N 3.33Å; A329-L332 PolarHBondContact O-N 2.88Å; A329-Q333 WeakPolarHBondContact O-CB 3.43Å; A329-Q333 PolarHBondContact O-N 3.46Å
330S97.3Very high95.9Very high62 Ų6286.8 Ų86.843%0.43446%0.462SS..Hα-helixtrans-59.9-42.7176.9172.80000113.1E326 K327 R328 Q333 A334E326-S330 PolarHBondContact O-N 3.4Å; K327-S330 PolarHBondContact O-N 2.82Å; R328-S330 VanDerWaalsContact C-N 3.35Å; R328-S330 PolarHBondContact O-N 2.94Å; S330-Q333 PolarHBondContact O-N 3.29Å; S330-A334 PolarHBondContact O-N 2.9Å; S330-A334 VanDerWaalsContact O-N 3.07Å
331L95.7Very high95.9Very high61 Ų6187.8 Ų87.832%0.31946%0.464SS..Hα-helixtrans-67.9-39.7178.8-71.6171.2000112.4K327 R328 A329 A334 I335 L412K327-L331 HydrophobicContact CG-CD1 4.25Å; K327-L331 VanDerWaalsContact O-CG 3.3Å; K327-L331 WeakPolarHBondContact O-CG 3.28Å; K327-L331 PolarHBondContact O-N 2.69Å; R328-L331 PolarHBondContact O-N 2.68Å; A329-L331 PolarHBondContact O-N 3.33Å; L331-A334 PolarHBondContact O-N 2.85Å; L331-I335 WeakPolarHBondContact O-CG1 3.43Å; L331-I335 PolarHBondContact O-N 3.45Å; L331-L412 HydrophobicContact CD1-CD1 3.97Å; L331-L412 HydrophobicContact CD1-CD2 3.96Å
332L96.4Very high95.9Very high98 Ų9888.1 Ų88.151%0.51346%0.455SS..Hα-helixtrans-65.8-42.1176-70.7175.5000111.4R328 A329 A334 I335 E336R328-L332 HydrophobicContact CG-CD1 4.1Å; R328-L332 WeakPolarHBondContact O-CG 2.86Å; R328-L332 PolarHBondContact O-N 3.17Å; A329-L332 PolarHBondContact O-N 2.88Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.34Å; L332-I335 PolarHBondContact O-N 3.45Å; L332-E336 PolarHBondContact O-N 3.45Å
333Q96.9Very high95.8Very high109 Ų10989.7 Ų89.751%0.50945%0.454SS..Hα-helixtrans-59.8-43.5175.6-176.3179.9-12.200111.7A329 S330 I335 E336 E337A329-Q333 WeakPolarHBondContact O-CB 3.43Å; A329-Q333 PolarHBondContact O-N 3.46Å; S330-Q333 PolarHBondContact O-N 3.29Å; Q333-I335 VanDerWaalsContact C-N 3.28Å; Q333-I335 PolarHBondContact O-N 2.97Å; Q333-E336 PolarHBondContact O-N 3.49Å; Q333-E336 VanDerWaalsContact O-N 3.12Å; Q333-E337 HydrophobicContact CG-CG 4.38Å; Q333-E337 WeakPolarHBondContact CG-OE1 3.4Å; Q333-E337 PolarHBondContact NE2-OE1 3.29Å; Q333-E337 WeakPolarHBondContact O-CG 3.47Å; Q333-E337 PolarHBondContact O-N 3.26Å
334A95.4Very high95.8Very high52 Ų5288.1 Ų88.143%0.4345%0.452SS..Hα-helixtrans-62-34.5177.300000113S330 L331 L332 C338S330-A334 PolarHBondContact O-N 2.9Å; S330-A334 VanDerWaalsContact O-N 3.07Å; L331-A334 PolarHBondContact O-N 2.85Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.34Å; A334-C338 WeakPolarHBondContact O-CB 3.42Å; A334-C338 PolarHBondContact O-N 3.08Å; A334-C338 VanDerWaalsContact O-N 3.12Å
335I95.5Very high95.9Very high61 Ų6190 Ų9031%0.31345%0.452SS..Hα-helixtrans-68.2-43.4174.1-67.1169.5000110.3L331 L332 Q333 C338 Q339 F407 C410L331-I335 WeakPolarHBondContact O-CG1 3.43Å; L331-I335 PolarHBondContact O-N 3.45Å; L332-I335 PolarHBondContact O-N 3.45Å; Q333-I335 VanDerWaalsContact C-N 3.28Å; Q333-I335 PolarHBondContact O-N 2.97Å; I335-C338 PolarHBondContact O-N 3.45Å; I335-Q339 WeakPolarHBondContact O-CB 3.48Å; I335-Q339 PolarHBondContact O-N 3.33Å; I335-F407 HydrophobicContact CG2-CD1 4.17Å; I335-F407 HydrophobicContact CG2-CE1 4.08Å; I335-C410 HydrophobicContact CD1-CB 4.4Å; I335-C410 HydrophobicContact CG1-CB 4.16Å
336E96.1Very high95.8Very high108 Ų10887.2 Ų87.251%0.50544%0.441SS..Hα-helixtrans-64.4-44.9179.5-170.4171.4-174.300111.9L332 Q333 C338 Q339 Q340L332-E336 PolarHBondContact O-N 3.45Å; Q333-E336 PolarHBondContact O-N 3.49Å; Q333-E336 VanDerWaalsContact O-N 3.12Å; E336-C338 PolarHBondContact O-N 3.01Å; E336-Q339 WeakPolarHBondContact O-CB 3.37Å; E336-Q339 PolarHBondContact O-N 2.82Å; E336-Q340 WeakPolarHBondContact O-CB 3.33Å; E336-Q340 VanDerWaalsContact O-CG 3.31Å; E336-Q340 WeakPolarHBondContact O-CG 3.45Å; E336-Q340 PolarHBondContact O-N 2.88Å
337E95.4Very high95.8Very high102 Ų10283.6 Ų83.648%0.47743%0.432SS..Hα-helixtrans-59.7-45.3174.3-72.5172.2-17500111.4Q333 Q339 Q340 E341Q333-E337 HydrophobicContact CG-CG 4.38Å; Q333-E337 WeakPolarHBondContact CG-OE1 3.4Å; Q333-E337 PolarHBondContact NE2-OE1 3.29Å; Q333-E337 WeakPolarHBondContact O-CG 3.47Å; Q333-E337 PolarHBondContact O-N 3.26Å; E337-Q339 VanDerWaalsContact C-N 3.32Å; E337-Q339 PolarHBondContact O-N 2.85Å; E337-Q340 PolarHBondContact O-N 3.07Å; E337-E341 WeakPolarHBondContact O-CB 3.39Å; E337-E341 PolarHBondContact O-N 2.9Å
338C93.9Very high95.7Very high28 Ų2880.5 Ų80.519%0.18943%0.429CS..Hα-helixtrans-63.3-39.1176.3-170.70000111.9A334 I335 E336 R342 F407A334-C338 WeakPolarHBondContact O-CB 3.42Å; A334-C338 PolarHBondContact O-N 3.08Å; A334-C338 VanDerWaalsContact O-N 3.12Å; I335-C338 PolarHBondContact O-N 3.45Å; E336-C338 PolarHBondContact O-N 3.01Å; C338-R342 WeakPolarHBondContact O-CB 3.43Å; C338-R342 WeakPolarHBondContact O-CG 3.42Å; C338-R342 PolarHBondContact O-N 2.92Å; C338-R342 VanDerWaalsContact O-N 3.08Å; C338-R342 PolarHBondContact SG-NH2 3.26Å; C338-F407 HydrophobicContact CB-CE1 4.49Å
339Q95.3Very high95.6Very high92 Ų9275.2 Ų75.243%0.4341%0.41SS..Hα-helixtrans-63-49.2175-175.6-179.19.800111.1I335 E336 E337 E341 R342 L343 F407I335-Q339 WeakPolarHBondContact O-CB 3.48Å; I335-Q339 PolarHBondContact O-N 3.33Å; E336-Q339 WeakPolarHBondContact O-CB 3.37Å; E336-Q339 PolarHBondContact O-N 2.82Å; E337-Q339 VanDerWaalsContact C-N 3.32Å; E337-Q339 PolarHBondContact O-N 2.85Å; Q339-E341 PolarHBondContact O-N 3.41Å; Q339-R342 PolarHBondContact O-N 2.89Å; Q339-L343 HydrophobicContact CG-CD1 3.95Å; Q339-L343 HydrophobicContact CG-CG 4.38Å; Q339-L343 WeakPolarHBondContact O-CB 3.26Å; Q339-L343 VanDerWaalsContact O-CG 3.28Å; Q339-L343 WeakPolarHBondContact O-CG 3.31Å; Q339-L343 PolarHBondContact O-N 3.1Å; Q339-F407 HydrophobicContact CB-CE1 4.23Å; Q339-F407 HydrophobicContact CB-CZ 3.75Å; Q339-F407 HydrophobicContact CG-CZ 4.06Å
340Q96.1Very high95.3Very high114 Ų11476.5 Ų76.553%0.53341%0.408SS..Hα-helixtrans-60.1-45.3179.4-72.7176.69.100111.3E336 E337 R342 L343 A344E336-Q340 WeakPolarHBondContact O-CB 3.33Å; E336-Q340 VanDerWaalsContact O-CG 3.31Å; E336-Q340 WeakPolarHBondContact O-CG 3.45Å; E336-Q340 PolarHBondContact O-N 2.88Å; E337-Q340 PolarHBondContact O-N 3.07Å; Q340-R342 PolarHBondContact O-N 3.26Å; Q340-L343 PolarHBondContact O-N 3.37Å; Q340-A344 WeakPolarHBondContact O-CB 3.33Å; Q340-A344 PolarHBondContact O-N 3.33Å
341E94.8Very high94.9Very high101 Ų10180.4 Ų80.447%0.47242%0.419SS..Hα-helixtrans-60.7-44.8177.5-172.3-175.3-169.700111.8E337 Q339 A344 R345E337-E341 WeakPolarHBondContact O-CB 3.39Å; E337-E341 PolarHBondContact O-N 2.9Å; Q339-E341 PolarHBondContact O-N 3.41Å; E341-A344 PolarHBondContact O-N 3.41Å; E341-R345 WeakPolarHBondContact O-CG 3.23Å; E341-R345 PolarHBondContact O-N 3.45Å; E341-R345 IonicContact OE1-CZ 3.47Å; E341-R345 IonicContact OE1-NE 3.25Å; E341-R345 IonicContact OE1-NH2 3.73Å; E341-R345 PolarHBondContact OE1-NH2 3.26Å
342R94.8Very high94.5Very high42 Ų4283.1 Ų83.116%0.15843%0.43CS..Hα-helixtrans-63.7-45.4177.2-72.2176.1174.7164.113.3112.2C338 Q339 Q340 A344 R345 L346 A403 S404 S406 H409C338-R342 WeakPolarHBondContact O-CB 3.43Å; C338-R342 WeakPolarHBondContact O-CG 3.42Å; C338-R342 PolarHBondContact O-N 2.92Å; C338-R342 VanDerWaalsContact O-N 3.08Å; C338-R342 PolarHBondContact SG-NH2 3.26Å; Q339-R342 PolarHBondContact O-N 2.89Å; Q340-R342 PolarHBondContact O-N 3.26Å; R342-A344 VanDerWaalsContact C-N 3.3Å; R342-A344 PolarHBondContact O-N 2.68Å; R342-R345 PolarHBondContact O-N 2.9Å; R342-L346 WeakPolarHBondContact O-CB 3.16Å; R342-L346 VanDerWaalsContact O-CG 3.32Å; R342-L346 WeakPolarHBondContact O-CG 3.13Å; R342-L346 PolarHBondContact O-N 2.82Å; R342-A403 HydrophobicContact CB-CB 3.99Å; R342-A403 HydrophobicContact CG-CB 3.91Å; R342-S404 WeakPolarHBondContact CD-O 3.39Å; R342-S406 PolarHBondContact NH1-O 3.26Å; R342-H409 VanDerWaalsContact CZ-CE1 3.47Å; R342-H409 PolarHBondContact NH1-CE1 2.99Å; R342-H409 PolarHBondContact NH1-NE2 2.86Å; R342-H409 VanDerWaalsContact NH1-NE2 3.17Å; R342-H409 PolarHBondContact NH2-CE1 3.15Å; R342-H409 PolarHBondContact NH2-NE2 3.4Å
343L96.1Very high93.9Very high93 Ų9380.9 Ų80.949%0.48742%0.417SS..Hα-helixtrans-62.1-40177.2-72.7176000111.1Q339 Q340 L346 S347Q339-L343 HydrophobicContact CG-CD1 3.95Å; Q339-L343 HydrophobicContact CG-CG 4.38Å; Q339-L343 WeakPolarHBondContact O-CB 3.26Å; Q339-L343 VanDerWaalsContact O-CG 3.28Å; Q339-L343 WeakPolarHBondContact O-CG 3.31Å; Q339-L343 PolarHBondContact O-N 3.1Å; Q340-L343 PolarHBondContact O-N 3.37Å; L343-L346 PolarHBondContact O-N 3.44Å; L343-S347 VanDerWaalsContact O-CB 3.23Å; L343-S347 WeakPolarHBondContact O-CB 3.03Å; L343-S347 PolarHBondContact O-N 3.28Å; L343-S347 PolarHBondContact O-OG 3.36Å
344A96.8Very high93.4Very high61 Ų6183.4 Ų83.450%0.50442%0.422SS..Hα-helixtrans-62.6-47.3175.900000111.7Q340 E341 R342 L346 S347 A348Q340-A344 WeakPolarHBondContact O-CB 3.33Å; Q340-A344 PolarHBondContact O-N 3.33Å; E341-A344 PolarHBondContact O-N 3.41Å; R342-A344 VanDerWaalsContact C-N 3.3Å; R342-A344 PolarHBondContact O-N 2.68Å; A344-L346 PolarHBondContact O-N 3.28Å; A344-S347 PolarHBondContact O-N 3.49Å; A344-A348 WeakPolarHBondContact O-CB 3.31Å; A344-A348 PolarHBondContact O-N 3.22Å
345R95.8Very high92.8Very high130 Ų13084.3 Ų84.349%0.49143%0.425SS..Hα-helixtrans-61-44.7176.6-69.4178.8-168.9-163.74.3112.4E341 R342 A348 Q349 A402E341-R345 WeakPolarHBondContact O-CG 3.23Å; E341-R345 PolarHBondContact O-N 3.45Å; E341-R345 IonicContact OE1-CZ 3.47Å; E341-R345 IonicContact OE1-NE 3.25Å; E341-R345 IonicContact OE1-NH2 3.73Å; E341-R345 PolarHBondContact OE1-NH2 3.26Å; R342-R345 PolarHBondContact O-N 2.9Å; R345-A348 PolarHBondContact O-N 3.31Å; R345-Q349 PolarHBondContact O-N 2.97Å; R345-A402 HydrophobicContact CB-CB 4.34Å
346L94.8Very high92Very high49 Ų4984.9 Ų84.926%0.25743%0.428SS..Hα-helixtrans-65.8-40.9177.4-69.9171.7000111.6R342 L343 A344 Q349 I350 P401 A403R342-L346 WeakPolarHBondContact O-CB 3.16Å; R342-L346 VanDerWaalsContact O-CG 3.32Å; R342-L346 WeakPolarHBondContact O-CG 3.13Å; R342-L346 PolarHBondContact O-N 2.82Å; L343-L346 PolarHBondContact O-N 3.44Å; A344-L346 PolarHBondContact O-N 3.28Å; L346-Q349 PolarHBondContact O-N 3.03Å; L346-I350 VanDerWaalsContact O-CG1 3.26Å; L346-I350 WeakPolarHBondContact O-CG1 3.32Å; L346-I350 PolarHBondContact O-N 3.43Å; L346-P401 HydrophobicContact CD2-CB 4.34Å; L346-A403 HydrophobicContact CD1-CB 4.49Å; L346-A403 HydrophobicContact CD2-CB 4.36Å; L346-A403 HydrophobicContact CG-CB 4.14Å
347S96Very high90.9Very high70 Ų7086.5 Ų86.549%0.4944%0.439SS..Hα-helixtrans-65.1-40.5177.7-59.40000111.9L343 A344 I350 Q351L343-S347 VanDerWaalsContact O-CB 3.23Å; L343-S347 WeakPolarHBondContact O-CB 3.03Å; L343-S347 PolarHBondContact O-N 3.28Å; L343-S347 PolarHBondContact O-OG 3.36Å; A344-S347 PolarHBondContact O-N 3.49Å; S347-I350 PolarHBondContact O-N 2.95Å; S347-Q351 PolarHBondContact O-N 2.91Å
348A94.6Very high89.8Confident56 Ų5687.8 Ų87.846%0.46345%0.45SS..Hα-helixtrans-62.7-45.4174.400000111.6A344 R345 I350 Q351 E352A344-A348 WeakPolarHBondContact O-CB 3.31Å; A344-A348 PolarHBondContact O-N 3.22Å; R345-A348 PolarHBondContact O-N 3.31Å; A348-I350 VanDerWaalsContact C-N 3.32Å; A348-I350 PolarHBondContact O-N 3.34Å; A348-Q351 PolarHBondContact O-N 3.12Å; A348-Q351 VanDerWaalsContact O-N 3.15Å; A348-E352 PolarHBondContact O-N 3.46Å
349Q92.1Very high88.3Confident31 Ų3188 Ų8815%0.14546%0.456CS..Hα-helixtrans-61-40.7175-177.9175.534.200111.7R345 L346 Q351 E352 H353 R400 A402R345-Q349 PolarHBondContact O-N 2.97Å; L346-Q349 PolarHBondContact O-N 3.03Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å; Q349-Q351 PolarHBondContact O-N 3.25Å; Q349-E352 PolarHBondContact O-N 2.98Å; Q349-H353 PolarHBondContact O-CD2 2.94Å; Q349-H353 PolarHBondContact O-N 2.96Å; Q349-R400 PolarHBondContact NE2-O 3.47Å; Q349-A402 HydrophobicContact CB-CB 4.18Å; Q349-A402 VanDerWaalsContact OE1-CB 3.28Å
350I90.9Very high86.6Confident87 Ų8788.1 Ų88.145%0.44647%0.467SS..Hα-helixtrans-60.7-44.2174.3-71.4165.1000110.7L346 S347 A348 H353 R354L346-I350 VanDerWaalsContact O-CG1 3.26Å; L346-I350 WeakPolarHBondContact O-CG1 3.32Å; L346-I350 PolarHBondContact O-N 3.43Å; S347-I350 PolarHBondContact O-N 2.95Å; A348-I350 VanDerWaalsContact C-N 3.32Å; A348-I350 PolarHBondContact O-N 3.34Å; I350-H353 PolarHBondContact O-N 3.46Å; I350-R354 HydrophobicContact CG2-CG 4.46Å; I350-R354 WeakPolarHBondContact O-CB 3.36Å; I350-R354 VanDerWaalsContact O-CG 3.3Å; I350-R354 WeakPolarHBondContact O-CG 3.44Å; I350-R354 PolarHBondContact O-N 3.21Å
351Q90.7Very high85.3Confident143 Ų14385 Ų8567%0.66847%0.466SS*.Hα-helixtrans-66.2-39179.3-172.2177.3-3.700112.3S347 A348 Q349 R354 S355S347-Q351 PolarHBondContact O-N 2.91Å; A348-Q351 PolarHBondContact O-N 3.12Å; A348-Q351 VanDerWaalsContact O-N 3.15Å; Q349-Q351 VanDerWaalsContact C-N 3.34Å; Q349-Q351 PolarHBondContact O-N 3.25Å; Q351-R354 PolarHBondContact O-N 3.29Å; Q351-S355 PolarHBondContact O-N 3.43Å
352E85.4Confident84.6Confident119 Ų11981.8 Ų81.856%0.55645%0.452SS*.Hα-helixtrans-62.6-47.1174.4-175.3178.7-170.500111.7A348 Q349 R354 S355 L356A348-E352 PolarHBondContact O-N 3.46Å; Q349-E352 PolarHBondContact O-N 2.98Å; E352-R354 VanDerWaalsContact C-N 3.33Å; E352-R354 PolarHBondContact O-N 2.95Å; E352-S355 PolarHBondContact O-N 3.26Å; E352-S355 PolarHBondContact O-OG 3.18Å; E352-L356 PolarHBondContact O-N 2.68Å; E352-L356 VanDerWaalsContact O-N 3.1Å
353H84.8Confident84Confident50 Ų5084.2 Ų84.223%0.23147%0.471CS..Hα-helixtrans-67.5-32.1176.5-76.5-70.2000113Q349 I350 L356 L357 F399Q349-H353 PolarHBondContact O-CD2 2.94Å; Q349-H353 PolarHBondContact O-N 2.96Å; I350-H353 PolarHBondContact O-N 3.46Å; H353-L356 PolarHBondContact O-N 2.85Å; H353-L357 PolarHBondContact O-N 2.79Å; H353-F399 AromaticContact NE2-CD2 3.72Å; H353-F399 AromaticContact NE2-CE2 3.9Å
354R86.5Confident83.4Confident163 Ų16381.1 Ų81.162%0.61546%0.462SS*.Hα-helixtrans-64.2-42.4171.7-77.6175.6179174.30.6111.9I350 Q351 E352 L356 L357 D358I350-R354 HydrophobicContact CG2-CG 4.46Å; I350-R354 WeakPolarHBondContact O-CB 3.36Å; I350-R354 VanDerWaalsContact O-CG 3.3Å; I350-R354 WeakPolarHBondContact O-CG 3.44Å; I350-R354 PolarHBondContact O-N 3.21Å; Q351-R354 PolarHBondContact O-N 3.29Å; E352-R354 VanDerWaalsContact C-N 3.33Å; E352-R354 PolarHBondContact O-N 2.95Å; R354-L356 VanDerWaalsContact C-N 3.31Å; R354-L356 PolarHBondContact O-N 2.86Å; R354-L357 WeakPolarHBondContact O-CA 3.33Å; R354-L357 VanDerWaalsContact O-CB 3.27Å; R354-L357 WeakPolarHBondContact O-CB 3.34Å; R354-L357 PolarHBondContact O-N 3.01Å; R354-D358 PolarHBondContact O-N 3.28Å
355S82.4Confident82.9Confident70 Ų7082.5 Ų82.549%0.4946%0.455SS..Hα-helixtrans-68.2-30.4178.574.20000113Q351 E352 L357 D358 G359Q351-S355 PolarHBondContact O-N 3.43Å; E352-S355 PolarHBondContact O-N 3.26Å; E352-S355 PolarHBondContact O-OG 3.18Å; S355-L357 VanDerWaalsContact C-N 3.32Å; S355-D358 PolarHBondContact O-N 3.03Å; S355-G359 PolarHBondContact O-N 3.49Å
356L78.4Confident82.4Confident73 Ų7377.1 Ų77.138%0.38244%0.437SS..Hα-helixtrans-63-37.7168.9-71.3172.9000112.1E352 H353 R354 G359 A392 A395E352-L356 PolarHBondContact O-N 2.68Å; E352-L356 VanDerWaalsContact O-N 3.1Å; H353-L356 PolarHBondContact O-N 2.85Å; R354-L356 VanDerWaalsContact C-N 3.31Å; R354-L356 PolarHBondContact O-N 2.86Å; L356-G359 PolarHBondContact O-N 3.45Å; L356-A392 HydrophobicContact CD2-CB 4.28Å; L356-A395 HydrophobicContact CD1-CB 4.11Å
357L73.8Confident82.1Confident142 Ų14280.2 Ų80.274%0.74345%0.451SS*.Hα-helixtrans-69.6-40.9175.2-102.8145000112.5H353 R354 S355 G359H353-L357 PolarHBondContact O-N 2.79Å; R354-L357 WeakPolarHBondContact O-CA 3.33Å; R354-L357 VanDerWaalsContact O-CB 3.27Å; R354-L357 WeakPolarHBondContact O-CB 3.34Å; R354-L357 PolarHBondContact O-N 3.01Å; S355-L357 VanDerWaalsContact C-N 3.32Å; L357-G359 PolarHBondContact O-N 3.49Å
358D71.7Confident81.8Confident130 Ų13082 Ų8270%0.69545%0.451SS*.Hα-helixtrans-67.6-14.6176.3-67.4-25.7000112.5R354 S355 S360R354-D358 PolarHBondContact O-N 3.28Å; S355-D358 PolarHBondContact O-N 3.03Å; D358-S360 PolarHBondContact O-N 3.42Å
359G63.4Low81.7Confident32 Ų3280 Ų8033%0.3343%0.433SS..THydrogen-bonded Turntrans-65.626.9170.400000115.6S355 L356 L357 G361 L362S355-G359 PolarHBondContact O-N 3.49Å; L356-G359 PolarHBondContact O-N 3.45Å; L357-G359 PolarHBondContact O-N 3.49Å; G359-G361 PolarHBondContact O-N 3.18Å; G359-G361 VanDerWaalsContact O-N 3.15Å; G359-L362 WeakPolarHBondContact O-CB 3.37Å; G359-L362 PolarHBondContact O-N 3.01Å
360S59.7Low81.7Confident94 Ų9484.4 Ų84.466%0.65746%0.457SS*.Hα-helixtrans-55-29.7174.5690000112.7D358 L362 V363 G364D358-S360 PolarHBondContact O-N 3.42Å; S360-L362 PolarHBondContact O-N 3.31Å; S360-V363 PolarHBondContact O-N 2.92Å; S360-G364 PolarHBondContact O-N 2.95Å
361G68.9Low81.8Confident49 Ų4986.6 Ų86.651%0.50546%0.463SS..Hα-helixtrans-66.3-17172.100000114.5G359 Y365G359-G361 PolarHBondContact O-N 3.18Å; G359-G361 VanDerWaalsContact O-N 3.15Å; G361-Y365 WeakPolarHBondContact O-CB 3.38Å; G361-Y365 PolarHBondContact O-N 3.15Å
362L79.6Confident81.9Confident34 Ų3484.2 Ų84.218%0.17845%0.452CS..Hα-helixtrans-70-39.5175.1-158.494.1000111.3G359 S360 A366 L385 R388 I389G359-L362 WeakPolarHBondContact O-CB 3.37Å; G359-L362 PolarHBondContact O-N 3.01Å; S360-L362 PolarHBondContact O-N 3.31Å; L362-A366 VanDerWaalsContact O-CB 3.22Å; L362-A366 WeakPolarHBondContact O-CB 3.31Å; L362-A366 PolarHBondContact O-N 3.27Å; L362-L385 HydrophobicContact CG-CD1 4.42Å; L362-R388 HydrophobicContact CD1-CB 4.01Å; L362-R388 VanDerWaalsContact CD1-NE 3.27Å; L362-R388 VanDerWaalsContact CD1-NH2 3.26Å; L362-I389 HydrophobicContact CD2-CG1 3.85Å
363V81Confident82.2Confident92 Ų9284.7 Ų84.756%0.55846%0.464SS*.Hα-helixtrans-67.9-44.7175.8178.80000109.6S360 A366 Q367S360-V363 PolarHBondContact O-N 2.92Å; V363-A366 WeakPolarHBondContact O-CB 3.39Å; V363-A366 PolarHBondContact O-N 3.36Å; V363-Q367 VanDerWaalsContact O-CG 3.31Å; V363-Q367 WeakPolarHBondContact O-CG 3.3Å; V363-Q367 PolarHBondContact O-N 2.83Å
364G84.1Confident82.7Confident28 Ų2885.8 Ų85.829%0.28947%0.471SS..Hα-helixtrans-61.5-46.1173.700000112.8S360 A366 Q367 E368S360-G364 PolarHBondContact O-N 2.95Å; G364-A366 VanDerWaalsContact C-N 3.33Å; G364-A366 PolarHBondContact O-N 2.73Å; G364-Q367 WeakPolarHBondContact O-CB 3.49Å; G364-Q367 PolarHBondContact O-N 3.21Å; G364-E368 PolarHBondContact O-N 3.23Å
365Y85.4Confident82.8Confident91 Ų9185.7 Ų85.736%0.35748%0.478SS..Hα-helixtrans-62.4-39.5175.7178.4-118.3000112.1G361 Q367 E368 V369 L385G361-Y365 WeakPolarHBondContact O-CB 3.38Å; G361-Y365 PolarHBondContact O-N 3.15Å; Y365-Q367 VanDerWaalsContact C-N 3.32Å; Y365-Q367 PolarHBondContact O-N 2.77Å; Y365-E368 PolarHBondContact O-N 3.06Å; Y365-V369 HydrophobicContact CD1-CG2 4.37Å; Y365-V369 HydrophobicContact CD2-CG2 4.07Å; Y365-V369 HydrophobicContact CE1-CG2 3.96Å; Y365-V369 HydrophobicContact CE2-CG2 3.63Å; Y365-V369 HydrophobicContact CG-CG2 4.42Å; Y365-V369 WeakPolarHBondContact O-CG2 3.38Å; Y365-V369 PolarHBondContact O-N 3.31Å; Y365-L385 HydrophobicContact CD1-CD1 3.86Å; Y365-L385 HydrophobicContact CE1-CB 4.48Å; Y365-L385 HydrophobicContact CE1-CD1 4.22Å
366A87.2Confident83.3Confident16 Ų1686.7 Ų86.713%0.13248%0.482CS..Hα-helixtrans-60.3-44173.600000111.7L362 V363 G364 E368 V369 L370 L385L362-A366 VanDerWaalsContact O-CB 3.22Å; L362-A366 WeakPolarHBondContact O-CB 3.31Å; L362-A366 PolarHBondContact O-N 3.27Å; V363-A366 WeakPolarHBondContact O-CB 3.39Å; V363-A366 PolarHBondContact O-N 3.36Å; G364-A366 VanDerWaalsContact C-N 3.33Å; G364-A366 PolarHBondContact O-N 2.73Å; A366-E368 VanDerWaalsContact C-N 3.34Å; A366-E368 PolarHBondContact O-N 3.18Å; A366-V369 PolarHBondContact O-N 2.97Å; A366-L370 WeakPolarHBondContact O-CD1 2.9Å; A366-L370 WeakPolarHBondContact O-CG 3.47Å; A366-L370 PolarHBondContact O-N 2.95Å; A366-L370 VanDerWaalsContact O-N 3.14Å; A366-L385 HydrophobicContact CB-CD1 3.94Å; A366-L385 HydrophobicContact CB-CD2 3.71Å; A366-L385 HydrophobicContact CB-CG 4.35Å
367Q87.7Confident84Confident115 Ų11586.3 Ų86.354%0.53749%0.486SS..Hα-helixtrans-63.7-36.9176.4-72172.2-13.900112.5V363 G364 Y365V363-Q367 VanDerWaalsContact O-CG 3.31Å; V363-Q367 WeakPolarHBondContact O-CG 3.3Å; V363-Q367 PolarHBondContact O-N 2.83Å; G364-Q367 WeakPolarHBondContact O-CB 3.49Å; G364-Q367 PolarHBondContact O-N 3.21Å; Y365-Q367 VanDerWaalsContact C-N 3.32Å; Y365-Q367 PolarHBondContact O-N 2.77Å
368E89.9Confident84.9Confident107 Ų10782.9 Ų82.950%0.547%0.465SS..Hα-helixtrans-72.5-43175.5-66.5-51.413900112.9G364 Y365 A366 L370 K371G364-E368 PolarHBondContact O-N 3.23Å; Y365-E368 PolarHBondContact O-N 3.06Å; A366-E368 VanDerWaalsContact C-N 3.34Å; A366-E368 PolarHBondContact O-N 3.18Å; E368-L370 PolarHBondContact O-N 3.04Å; E368-K371 WeakPolarHBondContact O-CB 3.43Å; E368-K371 PolarHBondContact O-N 2.75Å; E368-K371 IonicContact OE1-NZ 2.75Å; E368-K371 PolarHBondContact OE1-NZ 3.49Å; E368-K371 WeakPolarHBondContact OE2-CD 3.34Å; E368-K371 IonicContact OE2-NZ 2.92Å; E368-K371 PolarHBondContact OE2-NZ 3.23Å
369V92Very high85.9Confident13 Ų1381.1 Ų81.18%0.07946%0.458CS..Hα-helixtrans-59.1-34176.2170.20000111.3Y365 A366 K371 E372 F378 A381 A382 L385Y365-V369 HydrophobicContact CD1-CG2 4.37Å; Y365-V369 HydrophobicContact CD2-CG2 4.07Å; Y365-V369 HydrophobicContact CE1-CG2 3.96Å; Y365-V369 HydrophobicContact CE2-CG2 3.63Å; Y365-V369 HydrophobicContact CG-CG2 4.42Å; Y365-V369 WeakPolarHBondContact O-CG2 3.38Å; Y365-V369 PolarHBondContact O-N 3.31Å; A366-V369 PolarHBondContact O-N 2.97Å; V369-K371 PolarHBondContact O-N 2.86Å; V369-E372 WeakPolarHBondContact O-CB 3.4Å; V369-E372 PolarHBondContact O-N 3.17Å; V369-F378 HydrophobicContact CG1-CD2 4.3Å; V369-F378 HydrophobicContact CG1-CE2 4.26Å; V369-F378 WeakPolarHBondContact O-CD2 3.22Å; V369-F378 WeakPolarHBondContact O-CE2 3.39Å; V369-A381 HydrophobicContact CG1-CB 3.96Å; V369-A381 HydrophobicContact CG2-CB 4.2Å; V369-A382 HydrophobicContact CG1-CB 4.47Å; V369-L385 HydrophobicContact CB-CD2 4.19Å; V369-L385 HydrophobicContact CG1-CD2 4.24Å
370L91.3Very high87.1Confident125 Ų12585.8 Ų85.865%0.65447%0.471SS*.THydrogen-bonded Turntrans-67-15.2176.1-72.7169.4000114.2A366 E368A366-L370 WeakPolarHBondContact O-CD1 2.9Å; A366-L370 WeakPolarHBondContact O-CG 3.47Å; A366-L370 PolarHBondContact O-N 2.95Å; A366-L370 VanDerWaalsContact O-N 3.14Å; E368-L370 PolarHBondContact O-N 3.04Å
371K93.6Very high88.6Confident132 Ų13282.4 Ų82.457%0.57445%0.449SS*.THydrogen-bonded Turntrans-88.9-8.5175.8-60.2175.1-165.9164.80113.2E368 V369E368-K371 WeakPolarHBondContact O-CB 3.43Å; E368-K371 PolarHBondContact O-N 2.75Å; E368-K371 IonicContact OE1-NZ 2.75Å; E368-K371 PolarHBondContact OE1-NZ 3.49Å; E368-K371 WeakPolarHBondContact OE2-CD 3.34Å; E368-K371 IonicContact OE2-NZ 2.92Å; E368-K371 PolarHBondContact OE2-NZ 3.23Å; V369-K371 PolarHBondContact O-N 2.86Å
372E93.4Very high89.6Confident93 Ų9381.2 Ų81.244%0.43544%0.435SS..  trans-67.4137.5-177.9-17351.7-105.800111.2V369 D374 C377 F378V369-E372 WeakPolarHBondContact O-CB 3.4Å; V369-E372 PolarHBondContact O-N 3.17Å; E372-D374 PolarHBondContact OE1-N 3.45Å; E372-D374 VanDerWaalsContact OE1-N 3.16Å; E372-C377 HydrophobicContact CG-CB 4.46Å; E372-F378 HydrophobicContact CB-CB 4.33Å; E372-F378 HydrophobicContact CB-CD2 4.22Å; E372-F378 HydrophobicContact CG-CB 4.17Å
373T90.9Very high90.1Very high130 Ų13086.6 Ų86.680%0.79846%0.457SS*.  trans-110.3-20.9-173.658.50000112.8Q375T373-Q375 PolarHBondContact O-N 2.91Å
374D94.8Very high90.3Very high73 Ų7387.7 Ų87.739%0.3946%0.456SS..  trans-75.2115.3172.8-179.169000111.1E372 P376 C377 F378E372-D374 PolarHBondContact OE1-N 3.45Å; E372-D374 VanDerWaalsContact OE1-N 3.16Å; D374-P376 WeakPolarHBondContact OD2-CD 3.39Å; D374-C377 HydrophobicContact CB-CB 4.12Å; D374-C377 PolarHBondContact O-N 3.29Å; D374-C377 WeakPolarHBondContact OD2-CB 3.36Å; D374-C377 PolarHBondContact OD2-N 2.94Å; D374-C377 PolarHBondContact OD2-SG 3.15Å; D374-F378 VanDerWaalsContact O-CB 3.29Å; D374-F378 WeakPolarHBondContact O-CB 3.48Å; D374-F378 PolarHBondContact O-N 3.4Å
375Q90.6Very high90.5Very high160 Ų16087 Ų8775%0.74845%0.446SS*.Hα-helixtrans-60.5-47-173.1-74.5176.2-17.500113.5T373 V379T373-Q375 PolarHBondContact O-N 2.91Å; Q375-V379 VanDerWaalsContact O-CG2 3.3Å; Q375-V379 WeakPolarHBondContact O-CG2 3.43Å; Q375-V379 PolarHBondContact O-N 3.34Å; Q375-V379 VanDerWaalsContact O-N 3.07Å
376P92.9Very high90.7Very high91 Ų9188.8 Ų88.859%0.59146%0.457SS*.Hα-helixtrans-60.8-46.9175.4-24.333.8000113.9D374 V379 Q380D374-P376 WeakPolarHBondContact OD2-CD 3.39Å; P376-V379 PolarHBondContact O-N 3.14Å; P376-Q380 PolarHBondContact O-N 3.39Å; P376-Q380 VanDerWaalsContact O-N 3.15Å
377C91.7Very high90.7Very high66 Ų6692.2 Ų92.245%0.44647%0.473SS..Hα-helixtrans-65-41179.1-67.90000111.9E372 D374 Q380 A381E372-C377 HydrophobicContact CG-CB 4.46Å; D374-C377 HydrophobicContact CB-CB 4.12Å; D374-C377 PolarHBondContact O-N 3.29Å; D374-C377 WeakPolarHBondContact OD2-CB 3.36Å; D374-C377 PolarHBondContact OD2-N 2.94Å; D374-C377 PolarHBondContact OD2-SG 3.15Å; C377-Q380 PolarHBondContact O-N 2.92Å; C377-A381 PolarHBondContact O-N 2.88Å
378F94Very high90.6Very high69 Ų6993.5 Ų93.530%0.30347%0.473SS..Hα-helixtrans-59.2-49.9175.3174.9-99.3000111.4V369 E372 D374 Q380 A381 A382V369-F378 HydrophobicContact CG1-CD2 4.3Å; V369-F378 HydrophobicContact CG1-CE2 4.26Å; V369-F378 WeakPolarHBondContact O-CD2 3.22Å; V369-F378 WeakPolarHBondContact O-CE2 3.39Å; E372-F378 HydrophobicContact CB-CB 4.33Å; E372-F378 HydrophobicContact CB-CD2 4.22Å; E372-F378 HydrophobicContact CG-CB 4.17Å; D374-F378 VanDerWaalsContact O-CB 3.29Å; D374-F378 WeakPolarHBondContact O-CB 3.48Å; D374-F378 PolarHBondContact O-N 3.4Å; F378-Q380 VanDerWaalsContact C-N 3.28Å; F378-Q380 PolarHBondContact O-N 3.16Å; F378-A381 PolarHBondContact O-N 3.14Å; F378-A382 HydrophobicContact CD1-CB 4.41Å; F378-A382 HydrophobicContact CE1-CB 4.08Å; F378-A382 HydrophobicContact CE2-CB 4.3Å; F378-A382 HydrophobicContact CZ-CB 4.03Å; F378-A382 WeakPolarHBondContact O-CB 3.48Å; F378-A382 PolarHBondContact O-N 2.98Å
379V92.2Very high90.4Very high93 Ų9391.7 Ų91.756%0.56447%0.466SS*.Hα-helixtrans-61.2-38.7-178.9171.60000111.4Q375 P376 K383Q375-V379 VanDerWaalsContact O-CG2 3.3Å; Q375-V379 WeakPolarHBondContact O-CG2 3.43Å; Q375-V379 PolarHBondContact O-N 3.34Å; Q375-V379 VanDerWaalsContact O-N 3.07Å; P376-V379 PolarHBondContact O-N 3.14Å; V379-K383 WeakPolarHBondContact O-CB 3.46Å; V379-K383 PolarHBondContact O-N 3.11Å; V379-K383 VanDerWaalsContact O-N 3.15Å
380Q88.4Confident90.1Very high130 Ų13093 Ų9361%0.60748%0.479SS*.Hα-helixtrans-64.6-47.4176.4-174.4178.22.300112.2P376 C377 F378P376-Q380 PolarHBondContact O-N 3.39Å; P376-Q380 VanDerWaalsContact O-N 3.15Å; C377-Q380 PolarHBondContact O-N 2.92Å; F378-Q380 VanDerWaalsContact C-N 3.28Å; F378-Q380 PolarHBondContact O-N 3.16Å
381A91.1Very high89.6Confident23 Ų2396.2 Ų96.219%0.1948%0.482CS..Hα-helixtrans-70.8-43.4-179.900000112.4V369 C377 F378 K383 Q384 L385V369-A381 HydrophobicContact CG1-CB 3.96Å; V369-A381 HydrophobicContact CG2-CB 4.2Å; C377-A381 PolarHBondContact O-N 2.88Å; F378-A381 PolarHBondContact O-N 3.14Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 3.33Å; A381-Q384 PolarHBondContact O-N 3.49Å; A381-L385 WeakPolarHBondContact O-CB 3.27Å; A381-L385 PolarHBondContact O-N 3.05Å
382A90.4Very high89.1Confident25 Ų2591.2 Ų91.221%0.20747%0.465CS..Hα-helixtrans-62-37179.200000112.1V369 F378 L385 H386V369-A382 HydrophobicContact CG1-CB 4.47Å; F378-A382 HydrophobicContact CD1-CB 4.41Å; F378-A382 HydrophobicContact CE1-CB 4.08Å; F378-A382 HydrophobicContact CE2-CB 4.3Å; F378-A382 HydrophobicContact CZ-CB 4.03Å; F378-A382 WeakPolarHBondContact O-CB 3.48Å; F378-A382 PolarHBondContact O-N 2.98Å; A382-L385 PolarHBondContact O-N 3.39Å; A382-H386 WeakPolarHBondContact O-CB 3.47Å; A382-H386 PolarHBondContact O-N 2.95Å
383K88.9Confident88.5Confident147 Ų14789.7 Ų89.764%0.63946%0.462SS*.Hα-helixtrans-66.5-40176.6-169.5165.7-176.3173.30112.4V379 A381 N387V379-K383 WeakPolarHBondContact O-CB 3.46Å; V379-K383 PolarHBondContact O-N 3.11Å; V379-K383 VanDerWaalsContact O-N 3.15Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 3.33Å; K383-N387 PolarHBondContact O-N 2.99Å; K383-N387 PolarHBondContact O-ND2 2.85Å
384Q86.1Confident88.2Confident115 Ų11589.5 Ų89.554%0.53745%0.452SS..Hα-helixtrans-68.1-41.8175.2-66.4-175.330.400111.7A381 N387 R388A381-Q384 PolarHBondContact O-N 3.49Å; Q384-N387 PolarHBondContact O-N 3.42Å; Q384-R388 WeakPolarHBondContact O-CG 3.36Å; Q384-R388 PolarHBondContact O-N 3.3Å
385L88.4Confident87.5Confident13 Ų1387.5 Ų87.57%0.06845%0.446CS..Hα-helixtrans-63.1-46.7176.1176.666.3000112.1L362 Y365 A366 V369 A381 A382 N387 R388 I389L362-L385 HydrophobicContact CG-CD1 4.42Å; Y365-L385 HydrophobicContact CD1-CD1 3.86Å; Y365-L385 HydrophobicContact CE1-CB 4.48Å; Y365-L385 HydrophobicContact CE1-CD1 4.22Å; A366-L385 HydrophobicContact CB-CD1 3.94Å; A366-L385 HydrophobicContact CB-CD2 3.71Å; A366-L385 HydrophobicContact CB-CG 4.35Å; V369-L385 HydrophobicContact CB-CD2 4.19Å; V369-L385 HydrophobicContact CG1-CD2 4.24Å; A381-L385 WeakPolarHBondContact O-CB 3.27Å; A381-L385 PolarHBondContact O-N 3.05Å; A382-L385 PolarHBondContact O-N 3.39Å; L385-N387 VanDerWaalsContact C-N 3.31Å; L385-N387 PolarHBondContact O-N 2.98Å; L385-R388 PolarHBondContact O-N 3.11Å; L385-I389 HydrophobicContact CD1-CD1 3.94Å; L385-I389 HydrophobicContact CD1-CG1 4.24Å; L385-I389 HydrophobicContact CD2-CD1 4.39Å; L385-I389 HydrophobicContact CG-CD1 3.82Å; L385-I389 HydrophobicContact CG-CG1 4.44Å; L385-I389 WeakPolarHBondContact O-CG1 3.39Å; L385-I389 PolarHBondContact O-N 3.22Å
386H88.9Confident86.9Confident129 Ų12986 Ų8660%0.59744%0.443SS*.Hα-helixtrans-57.5-43.9178.7-178.277000111.5A382 R388 I389 A390A382-H386 WeakPolarHBondContact O-CB 3.47Å; A382-H386 PolarHBondContact O-N 2.95Å; H386-R388 VanDerWaalsContact C-N 3.3Å; H386-R388 PolarHBondContact O-N 3.34Å; H386-I389 PolarHBondContact O-N 3.49Å; H386-A390 VanDerWaalsContact O-CB 3.27Å; H386-A390 WeakPolarHBondContact O-CB 3.42Å; H386-A390 PolarHBondContact O-N 3.34Å
387N86.4Confident86.5Confident87 Ų8789 Ų8947%0.46545%0.449SS..Hα-helixtrans-61.8-36175.8-73.4-24.9000113K383 Q384 L385 R391K383-N387 PolarHBondContact O-N 2.99Å; K383-N387 PolarHBondContact O-ND2 2.85Å; Q384-N387 PolarHBondContact O-N 3.42Å; L385-N387 VanDerWaalsContact C-N 3.31Å; L385-N387 PolarHBondContact O-N 2.98Å; N387-R391 VanDerWaalsContact O-CG 3.3Å; N387-R391 WeakPolarHBondContact O-CG 3.43Å; N387-R391 PolarHBondContact O-N 2.87Å
388R85.9Confident86Confident142 Ų14290.8 Ų90.854%0.53646%0.458SS..Hα-helixtrans-71.3-41.5177-68.4174.371.3-175.91.3111.7L362 Q384 L385 H386 A392L362-R388 HydrophobicContact CD1-CB 4.01Å; L362-R388 VanDerWaalsContact CD1-NE 3.27Å; L362-R388 VanDerWaalsContact CD1-NH2 3.26Å; Q384-R388 WeakPolarHBondContact O-CG 3.36Å; Q384-R388 PolarHBondContact O-N 3.3Å; L385-R388 PolarHBondContact O-N 3.11Å; H386-R388 VanDerWaalsContact C-N 3.3Å; H386-R388 PolarHBondContact O-N 3.34Å; R388-A392 PolarHBondContact O-N 3.43Å; R388-A392 VanDerWaalsContact O-N 3.17Å
389I85.4Confident85.6Confident69 Ų6993.5 Ų93.535%0.35447%0.469SS..Hα-helixtrans-67.1-42.7176.5-66.1172.9000110.9L362 L385 H386 R391 A392 T393L362-I389 HydrophobicContact CD2-CG1 3.85Å; L385-I389 HydrophobicContact CD1-CD1 3.94Å; L385-I389 HydrophobicContact CD1-CG1 4.24Å; L385-I389 HydrophobicContact CD2-CD1 4.39Å; L385-I389 HydrophobicContact CG-CD1 3.82Å; L385-I389 HydrophobicContact CG-CG1 4.44Å; L385-I389 WeakPolarHBondContact O-CG1 3.39Å; L385-I389 PolarHBondContact O-N 3.22Å; H386-I389 PolarHBondContact O-N 3.49Å; I389-R391 PolarHBondContact O-N 3.19Å; I389-A392 PolarHBondContact O-N 2.8Å; I389-T393 WeakPolarHBondContact O-CB 3.3Å; I389-T393 PolarHBondContact O-N 2.77Å; I389-T393 PolarHBondContact O-OG1 3.26Å
390A86.2Confident85.3Confident42 Ų4298.9 Ų98.935%0.34748%0.48SS..Hα-helixtrans-58.9-47177.800000111.5H386 A392 T393 E394H386-A390 VanDerWaalsContact O-CB 3.27Å; H386-A390 WeakPolarHBondContact O-CB 3.42Å; H386-A390 PolarHBondContact O-N 3.34Å; A390-A392 PolarHBondContact O-N 3.42Å; A390-T393 PolarHBondContact O-N 2.89Å; A390-E394 WeakPolarHBondContact O-CB 3.14Å; A390-E394 PolarHBondContact O-N 3.21Å
391R81.9Confident85.4Confident192 Ų19296.8 Ų96.873%0.72548%0.477SS*.Hα-helixtrans-61.3-42.1176.3-73.1175.2-175.9-116.71.7113.1N387 I389 A395N387-R391 VanDerWaalsContact O-CG 3.3Å; N387-R391 WeakPolarHBondContact O-CG 3.43Å; N387-R391 PolarHBondContact O-N 2.87Å; I389-R391 PolarHBondContact O-N 3.19Å; R391-A395 WeakPolarHBondContact O-CB 3.2Å; R391-A395 PolarHBondContact O-N 2.89Å; R391-A395 VanDerWaalsContact O-N 3.1Å
392A81.4Confident85.4Confident27 Ų2797.9 Ų97.922%0.22349%0.486CS..Hα-helixtrans-66.7-38.1176.500000112.2L356 R388 I389 A390 L396L356-A392 HydrophobicContact CD2-CB 4.28Å; R388-A392 PolarHBondContact O-N 3.43Å; R388-A392 VanDerWaalsContact O-N 3.17Å; I389-A392 PolarHBondContact O-N 2.8Å; A390-A392 PolarHBondContact O-N 3.42Å; A392-L396 WeakPolarHBondContact O-CG 3.45Å; A392-L396 PolarHBondContact O-N 3.11Å
393T82.9Confident85.4Confident61 Ų6197.6 Ų97.637%0.37448%0.484SS..Hα-helixtrans-67.8-42.5178.2-52.40000111.2I389 A390 L396 Q397I389-T393 WeakPolarHBondContact O-CB 3.3Å; I389-T393 PolarHBondContact O-N 2.77Å; I389-T393 PolarHBondContact O-OG1 3.26Å; A390-T393 PolarHBondContact O-N 2.89Å; T393-L396 PolarHBondContact O-N 3.17Å; T393-Q397 WeakPolarHBondContact O-CG 3.34Å; T393-Q397 PolarHBondContact O-N 3.18Å; T393-Q397 VanDerWaalsContact O-N 3.07Å
394E83.9Confident85.3Confident126 Ų12694 Ų9459%0.58948%0.477SS*.Hα-helixtrans-61.4-45.6176-169.7173.5-164.100111.2A390 L396 Q397 T398A390-E394 WeakPolarHBondContact O-CB 3.14Å; A390-E394 PolarHBondContact O-N 3.21Å; E394-L396 PolarHBondContact O-N 3.31Å; E394-Q397 PolarHBondContact O-N 3.05Å; E394-Q397 VanDerWaalsContact O-N 3.14Å; E394-T398 PolarHBondContact O-N 3.41Å; E394-T398 PolarHBondContact O-OG1 3.44Å
395A79.1Confident85.4Confident31 Ų3193.9 Ų93.926%0.25649%0.489SS..Hα-helixtrans-60-29.7176.600000113.9L356 R391L356-A395 HydrophobicContact CD1-CB 4.11Å; R391-A395 WeakPolarHBondContact O-CB 3.2Å; R391-A395 PolarHBondContact O-N 2.89Å; R391-A395 VanDerWaalsContact O-N 3.1Å
396L79.6Confident85.3Confident129 Ų12995.1 Ų95.168%0.67550%0.499SS*.Hα-helixtrans-80.1-35.3176.1-70.1168.9000112.7A392 T393 E394A392-L396 WeakPolarHBondContact O-CG 3.45Å; A392-L396 PolarHBondContact O-N 3.11Å; T393-L396 PolarHBondContact O-N 3.17Å; E394-L396 PolarHBondContact O-N 3.31Å
397Q83.6Confident85.4Confident154 Ų15492.5 Ų92.572%0.7249%0.486SS*.Hα-helixtrans-73.4-28.4-177.4-74.3179.1-5.600113.1T393 E394T393-Q397 WeakPolarHBondContact O-CG 3.34Å; T393-Q397 PolarHBondContact O-N 3.18Å; T393-Q397 VanDerWaalsContact O-N 3.07Å; E394-Q397 PolarHBondContact O-N 3.05Å; E394-Q397 VanDerWaalsContact O-N 3.14Å
398T80.4Confident85.3Confident103 Ų10398 Ų9863%0.63250%0.5SS*.THydrogen-bonded Turntrans-113.640-175.159.40000113.8E394 R400E394-T398 PolarHBondContact O-N 3.41Å; E394-T398 PolarHBondContact O-OG1 3.44Å; T398-R400 PolarHBondContact O-N 2.89Å
399F85.6Confident85Confident125 Ų12596.5 Ų96.555%0.54850%0.499SS..  trans-65.7122.2179.1178.8-98.5000112.4H353H353-F399 AromaticContact NE2-CD2 3.72Å; H353-F399 AromaticContact NE2-CE2 3.9Å
400R87.6Confident85Confident207 Ų20795.6 Ų95.678%0.78150%0.498SS*.  trans-141.8143.3163.8-68.9-170.9175.5174.5-0.1109.6Q349 T398 A402Q349-R400 PolarHBondContact NE2-O 3.47Å; T398-R400 PolarHBondContact O-N 2.89Å; R400-A402 PolarHBondContact O-N 3.48Å
401P90.2Very high85.1Confident85 Ų85101.3 Ų101.355%0.55252%0.518SS*.  trans-56.6132.4173.1-2433.7000111.5L346 A403L346-P401 HydrophobicContact CD2-CB 4.34Å; P401-A403 PolarHBondContact O-N 2.9Å; P401-A403 VanDerWaalsContact O-N 3.16Å
402A89.7Confident85.5Confident47 Ų4798 Ų9839%0.38851%0.514SS..SBendtrans-67-14-178.100000113.5R345 Q349 R400R345-A402 HydrophobicContact CB-CB 4.34Å; Q349-A402 HydrophobicContact CB-CB 4.18Å; Q349-A402 VanDerWaalsContact OE1-CB 3.28Å; R400-A402 PolarHBondContact O-N 3.48Å
403A90.9Very high86Confident19 Ų19103 Ų10316%0.15754%0.537CS..SBendtrans-150.6157.8173.500000111.9R342 L346 P401R342-A403 HydrophobicContact CB-CB 3.99Å; R342-A403 HydrophobicContact CG-CB 3.91Å; L346-A403 HydrophobicContact CD1-CB 4.49Å; L346-A403 HydrophobicContact CD2-CB 4.36Å; L346-A403 HydrophobicContact CG-CB 4.14Å; P401-A403 PolarHBondContact O-N 2.9Å; P401-A403 VanDerWaalsContact O-N 3.16Å
404S88Confident86.6Confident70 Ų70103.2 Ų103.249%0.4954%0.538SS..  trans-81.5146.1171.8177.60000111.4R342 S406R342-S404 WeakPolarHBondContact CD-O 3.39Å; S404-S406 PolarHBondContact OG-N 3.27Å
405S86.7Confident87Confident114 Ų11499.3 Ų99.380%0.79753%0.531SS*.SBendtrans-83.3-10.2172.956.50000114
406S87.3Confident87.7Confident39 Ų39106.7 Ų106.727%0.27355%0.553SS.*  trans-91.2137.2-172.8175.80000112.4R342 S404 R408 H409R342-S406 PolarHBondContact NH1-O 3.26Å; S404-S406 PolarHBondContact OG-N 3.27Å; S406-R408 VanDerWaalsContact OG-CG 3.28Å; S406-R408 WeakPolarHBondContact OG-CG 3.38Å; S406-R408 PolarHBondContact OG-N 3.48Å; S406-H409 PolarHBondContact O-CE1 2.9Å
407F89.9Confident88.4Confident73 Ų73104.6 Ų104.632%0.3254%0.539SS..  trans-101.424.6173.8-71.9-93.9000113.3I335 C338 Q339 H409 C410I335-F407 HydrophobicContact CG2-CD1 4.17Å; I335-F407 HydrophobicContact CG2-CE1 4.08Å; C338-F407 HydrophobicContact CB-CE1 4.49Å; Q339-F407 HydrophobicContact CB-CE1 4.23Å; Q339-F407 HydrophobicContact CB-CZ 3.75Å; Q339-F407 HydrophobicContact CG-CZ 4.06Å; F407-H409 PolarHBondContact O-N 3.31Å; F407-C410 HydrophobicContact CB-CB 4.4Å; F407-C410 WeakPolarHBondContact O-CB 3.28Å; F407-C410 PolarHBondContact O-N 3.38Å
408R85.8Confident88.8Confident202 Ų202101.4 Ų101.476%0.76253%0.525SS*.THydrogen-bonded Turntrans-56.6-21.7-178.1-79.4177.8-174.6-160.11.1115.2S406 Q411S406-R408 VanDerWaalsContact OG-CG 3.28Å; S406-R408 WeakPolarHBondContact OG-CG 3.38Å; S406-R408 PolarHBondContact OG-N 3.48Å; R408-Q411 WeakPolarHBondContact O-CG 3.47Å
409H79.9Confident89.3Confident112 Ų112102.6 Ų102.652%0.51952%0.522SS..THydrogen-bonded Turntrans-85.3-6.7176.146-88.5000113.2R342 S406 F407R342-H409 VanDerWaalsContact CZ-CE1 3.47Å; R342-H409 PolarHBondContact NH1-CE1 2.99Å; R342-H409 PolarHBondContact NH1-NE2 2.86Å; R342-H409 VanDerWaalsContact NH1-NE2 3.17Å; R342-H409 PolarHBondContact NH2-CE1 3.15Å; R342-H409 PolarHBondContact NH2-NE2 3.4Å; S406-H409 PolarHBondContact O-CE1 2.9Å; F407-H409 PolarHBondContact O-N 3.31Å
410C85.3Confident89.5Confident50 Ų50101.2 Ų101.234%0.33852%0.52SS..  trans-99.347.4174-60.60000110.7I335 F407I335-C410 HydrophobicContact CD1-CB 4.4Å; I335-C410 HydrophobicContact CG1-CB 4.16Å; F407-C410 HydrophobicContact CB-CB 4.4Å; F407-C410 WeakPolarHBondContact O-CB 3.28Å; F407-C410 PolarHBondContact O-N 3.38Å
411Q87.4Confident89.6Confident161 Ų16194.4 Ų94.475%0.75250%0.498SS*.  trans-92.3135.7174.3-72.5-178.9-0.200110.2R408R408-Q411 WeakPolarHBondContact O-CG 3.47Å
412L91.3Very high89.5Confident122 Ų12296 Ų9664%0.63951%0.507SS*.  trans-110.8125.2177.4-177.569.4000109.3L331 V414L331-L412 HydrophobicContact CD1-CD1 3.97Å; L331-L412 HydrophobicContact CD1-CD2 3.96Å; L412-V414 HydrophobicContact CD2-CG1 3.78Å; L412-V414 HydrophobicContact CG-CG1 3.86Å
413D91.9Very high89.4Confident134 Ų13498.9 Ų98.972%0.71751%0.512SS*.  trans-102.2127.9167.6-176.12.6000108.7G415D413-G415 PolarHBondContact OD1-N 3.42Å
414V94.1Very high89.3Confident65 Ų65103 Ų10339%0.39453%0.531SS..  trans-117.89.8-179.8-61.70000112.4L412 R416 E417 M418L412-V414 HydrophobicContact CD2-CG1 3.78Å; L412-V414 HydrophobicContact CG-CG1 3.86Å; V414-R416 VanDerWaalsContact C-N 3.33Å; V414-R416 PolarHBondContact O-N 2.94Å; V414-E417 PolarHBondContact O-N 2.99Å; V414-M418 HydrophobicContact CG2-CG 4.27Å; V414-M418 WeakPolarHBondContact O-CG 3.43Å; V414-M418 PolarHBondContact O-N 3.16Å
415G93.8Very high89.2Confident43 Ų43106.3 Ų106.344%0.44354%0.543SS..Hα-helixtrans-61.2-38.9-173.600000113.4D413 K419D413-G415 PolarHBondContact OD1-N 3.42Å; G415-K419 PolarHBondContact O-N 3.19Å; G415-K419 VanDerWaalsContact O-N 3.16Å
416R93.8Very high89.2Confident187 Ų187109.1 Ų109.171%0.70654%0.541SS*.Hα-helixtrans-67-46.5177.4-179.8-175.3174.5-167.3-2.6111.3V414 M418 K419 L420V414-R416 VanDerWaalsContact C-N 3.33Å; V414-R416 PolarHBondContact O-N 2.94Å; R416-M418 VanDerWaalsContact C-N 3.35Å; R416-K419 WeakPolarHBondContact O-CB 3.5Å; R416-K419 PolarHBondContact O-N 3.19Å; R416-L420 HydrophobicContact CG-CD1 4.39Å; R416-L420 WeakPolarHBondContact O-CG 3.38Å; R416-L420 PolarHBondContact O-N 3.17Å
417E93.1Very high89.2Confident84 Ų84112.3 Ų112.339%0.39356%0.555SS.*Hα-helixtrans-64.4-41.4-178.7-68.966.4-150.100110.5V414 K419 L420 L421V414-E417 PolarHBondContact O-N 2.99Å; E417-K419 VanDerWaalsContact C-N 3.33Å; E417-K419 PolarHBondContact O-N 3.49Å; E417-L420 PolarHBondContact O-N 3.22Å; E417-L421 WeakPolarHBondContact O-CG 3.44Å; E417-L421 PolarHBondContact O-N 3.32Å
418M91.4Very high89.1Confident88 Ų88116.5 Ų116.543%0.43357%0.569SS.*Hα-helixtrans-62.4-41.4174.9-72.2-48.1101.800111.8V414 R416 L420 L421 T422V414-M418 HydrophobicContact CG2-CG 4.27Å; V414-M418 WeakPolarHBondContact O-CG 3.43Å; V414-M418 PolarHBondContact O-N 3.16Å; R416-M418 VanDerWaalsContact C-N 3.35Å; M418-L420 PolarHBondContact O-N 3.46Å; M418-L421 HydrophobicContact CE-CD1 3.65Å; M418-L421 PolarHBondContact O-N 3.23Å; M418-L421 HydrophobicContact SD-CD1 4.32Å; M418-T422 PolarHBondContact O-N 2.84Å; M418-T422 PolarHBondContact O-OG1 3.39Å
419K91.2Very high89.4Confident127 Ų127110 Ų11055%0.55255%0.551SS**Hα-helixtrans-60.4-46.3175.3-174.3175.5175.8178.80111.5G415 R416 E417 L421 T422 E423G415-K419 PolarHBondContact O-N 3.19Å; G415-K419 VanDerWaalsContact O-N 3.16Å; R416-K419 WeakPolarHBondContact O-CB 3.5Å; R416-K419 PolarHBondContact O-N 3.19Å; E417-K419 VanDerWaalsContact C-N 3.33Å; E417-K419 PolarHBondContact O-N 3.49Å; K419-L421 VanDerWaalsContact C-N 3.33Å; K419-L421 PolarHBondContact O-N 3.4Å; K419-T422 PolarHBondContact O-N 3.27Å; K419-E423 WeakPolarHBondContact CE-OE1 3.2Å; K419-E423 WeakPolarHBondContact CG-OE1 3.29Å; K419-E423 IonicContact NZ-OE1 3.77Å; K419-E423 WeakPolarHBondContact O-CG 3.2Å; K419-E423 PolarHBondContact O-N 3.46Å
420L90.1Very high90.1Very high97 Ų97104.7 Ų104.751%0.50853%0.527SS..Hα-helixtrans-60.8-40.2177.3-69.1172.4000112.6R416 E417 M418 E423R416-L420 HydrophobicContact CG-CD1 4.39Å; R416-L420 WeakPolarHBondContact O-CG 3.38Å; R416-L420 PolarHBondContact O-N 3.17Å; E417-L420 PolarHBondContact O-N 3.22Å; M418-L420 PolarHBondContact O-N 3.46Å; L420-E423 PolarHBondContact O-N 3.33Å
421L90.1Very high90.6Very high63 Ų63106.4 Ų106.433%0.3353%0.529SS..Hα-helixtrans-68.5-35.6176.4-70.3174.7000112.5E417 M418 K419 E423 L424E417-L421 WeakPolarHBondContact O-CG 3.44Å; E417-L421 PolarHBondContact O-N 3.32Å; M418-L421 HydrophobicContact CE-CD1 3.65Å; M418-L421 PolarHBondContact O-N 3.23Å; M418-L421 HydrophobicContact SD-CD1 4.32Å; K419-L421 VanDerWaalsContact C-N 3.33Å; K419-L421 PolarHBondContact O-N 3.4Å; L421-E423 VanDerWaalsContact C-N 3.31Å; L421-L424 HydrophobicContact CD2-CD1 3.95Å; L421-L424 WeakPolarHBondContact O-CB 3.5Å; L421-L424 WeakPolarHBondContact O-CG 3.27Å; L421-L424 PolarHBondContact O-N 3.27Å
422T88.8Confident91Very high119 Ų119100.1 Ų100.173%0.7351%0.505SS*.Hα-helixtrans-72-28.3178.7-41.50000111.9M418 K419 L424M418-T422 PolarHBondContact O-N 2.84Å; M418-T422 PolarHBondContact O-OG1 3.39Å; K419-T422 PolarHBondContact O-N 3.27Å; T422-L424 VanDerWaalsContact C-N 3.31Å
423E88.1Confident91.2Very high107 Ų10794.4 Ų94.450%0.548%0.475SS..THydrogen-bonded Turntrans-86.65.3179-69.9174.5179.600113.6K419 L420 L421 N425K419-E423 WeakPolarHBondContact CE-OE1 3.2Å; K419-E423 WeakPolarHBondContact CG-OE1 3.29Å; K419-E423 IonicContact NZ-OE1 3.77Å; K419-E423 WeakPolarHBondContact O-CG 3.2Å; K419-E423 PolarHBondContact O-N 3.46Å; L420-E423 PolarHBondContact O-N 3.33Å; L421-E423 VanDerWaalsContact C-N 3.31Å; E423-N425 PolarHBondContact O-N 3.36Å; E423-N425 PolarHBondContact O-ND2 3.08Å
424L87.2Confident91.4Very high107 Ų10791.5 Ų91.556%0.5646%0.462SS*.  trans-63.6115.5175.7-71.2175.9000110.9L320 L421 T422L320-L424 HydrophobicContact CD1-CD1 4.21Å; L421-L424 HydrophobicContact CD2-CD1 3.95Å; L421-L424 WeakPolarHBondContact O-CB 3.5Å; L421-L424 WeakPolarHBondContact O-CG 3.27Å; L421-L424 PolarHBondContact O-N 3.27Å; T422-L424 VanDerWaalsContact C-N 3.31Å
425N86.1Confident91.5Very high138 Ų13889.1 Ų89.174%0.73845%0.447SS*.  trans-133.2158.8-179.6-72.5-70.7000110.4E423 L427E423-N425 PolarHBondContact O-N 3.36Å; E423-N425 PolarHBondContact O-ND2 3.08Å; N425-L427 PolarHBondContact O-N 3.47Å
426F87.1Confident91.5Very high173 Ų17389.1 Ų89.176%0.75944%0.437SS*.PPolyproline II helixtrans-58.9137.8168.8-67.9-69000110.2V313 R428V313-F426 HydrophobicContact CG2-CE1 3.89Å; F426-R428 PolarHBondContact O-N 3.2Å
427L86.6Confident91.3Very high107 Ų10785 Ų8556%0.5643%0.433SS*.PPolyproline II helixtrans-62.5129.7176.3-63.3176000108.9N425 K511 A512N425-L427 PolarHBondContact O-N 3.47Å; L427-K511 HydrophobicContact CD1-CB 3.51Å; L427-K511 HydrophobicContact CD1-CD 3.9Å; L427-K511 HydrophobicContact CD1-CG 4.26Å; L427-A512 HydrophobicContact CB-CB 3.89Å
428R89.3Confident90.9Very high161 Ų16189.5 Ų89.561%0.60845%0.454SS*.PPolyproline II helixtrans-101.2146.2171.1-64.5-176.3-67.9157.54108.1F426 P457 N510F426-R428 PolarHBondContact O-N 3.2Å; R428-P457 HydrophobicContact CB-CG 4.03Å; R428-P457 WeakPolarHBondContact O-CG 3.42Å; R428-N510 PolarHBondContact O-ND2 3.09Å
429V92.1Very high90.7Very high65 Ų6592.1 Ų92.139%0.39446%0.459SS..PPolyproline II helixtrans-61.6149.3170.5-69.70000109.8P457 A512V429-P457 VanDerWaalsContact O-CG 3.27Å; V429-P457 WeakPolarHBondContact O-CG 3.35Å; V429-A512 HydrophobicContact CG1-CB 3.86Å
430P94.1Very high90.7Very high1 Ų186.4 Ų86.41%0.00644%0.435CS..PPolyproline II helixtrans-59.3142.9174.8-20.935.2000110.8L452 A459 N510 G515P430-L452 HydrophobicContact CB-CD1 4.31Å; P430-A459 HydrophobicContact CB-CB 4.07Å; P430-A459 HydrophobicContact CG-CB 3.85Å; P430-N510 HydrophobicContact CG-CB 4.05Å; P430-G515 WeakPolarHBondContact O-CA 3.41Å
431E95.3Very high90.6Very high85 Ų8584.4 Ų84.440%0.39742%0.422SS..PPolyproline II helixtrans-68163.9170.8-64.6178-163.200110.6P433 L452 P453 S456E431-P433 WeakPolarHBondContact O-CD 3.22Å; E431-L452 WeakPolarHBondContact O-CD1 3.25Å; E431-P453 HydrophobicContact CB-CG 4.05Å; E431-P453 WeakPolarHBondContact OE2-CB 3.41Å; E431-S456 PolarHBondContact N-OG 3.43Å
432A95.8Very high90.6Very high29 Ų2982.2 Ų82.224%0.2441%0.413CS..PPolyproline II helixtrans-55.7122.8178.100000110.8E516A432-E516 HydrophobicContact CB-CB 4.19Å
433P96.2Very high90.5Very high2 Ų277.4 Ų77.41%0.01338%0.382CS..PPolyproline II helixtrans-62.1149.6173.5-20.933000111.2E431 W450 L452 Y462 V506 S518E431-P433 WeakPolarHBondContact O-CD 3.22Å; P433-W450 HydrophobicContact CB-CB 4.4Å; P433-W450 HydrophobicContact CB-CG 4.3Å; P433-L452 HydrophobicContact CG-CD1 4.25Å; P433-Y462 HydrophobicContact CB-CE1 4.35Å; P433-Y462 HydrophobicContact CG-CD1 3.93Å; P433-Y462 HydrophobicContact CG-CE1 3.8Å; P433-V506 WeakPolarHBondContact CD-O 3.41Å; P433-V506 HydrophobicContact CG-CG1 4.35Å; P433-S518 WeakPolarHBondContact O-CA 3.3Å; P433-S518 WeakPolarHBondContact O-CB 3.49Å
434V96.1Very high90.4Very high74 Ų7473.9 Ų73.945%0.44837%0.366SS..EExtended strand (participates in β ladder)trans-106.6116.2175.7-1770000108.8D436 W450 R451V434-D436 PolarHBondContact O-N 2.88Å; V434-W450 CarbonylContact O-C 3.59Å; V434-W450 WeakPolarHBondContact O-CA 3.47Å; V434-W450 VanDerWaalsContact O-CB 3.31Å; V434-W450 WeakPolarHBondContact O-CB 3.4Å; V434-R451 HydrophobicContact CB-CG 4.32Å; V434-R451 PolarHBondContact N-O 2.8Å; V434-R451 PolarHBondContact O-N 3.02Å
435I95.8Very high90.6Very high14 Ų1470.1 Ų70.17%0.07235%0.346CS..EExtended strand (participates in β ladder)trans-69126.8175.6-64.2168.2000108.9T437 T440 L448 W450 V506 S518 V521I435-T437 PolarHBondContact O-N 3.32Å; I435-T440 HydrophobicContact CG2-CG2 4.33Å; I435-L448 HydrophobicContact CD1-CD1 4.15Å; I435-L448 HydrophobicContact CG1-CD1 4.26Å; I435-L448 HydrophobicContact CG2-CD1 3.61Å; I435-W450 HydrophobicContact CG1-CB 4.41Å; I435-V506 HydrophobicContact CD1-CG2 4.24Å; I435-V506 HydrophobicContact CG1-CG2 4.26Å; I435-S518 VanDerWaalsContact CD1-OG 3.32Å; I435-S518 WeakPolarHBondContact CD1-OG 3.28Å; I435-V521 HydrophobicContact CB-CG2 3.84Å; I435-V521 HydrophobicContact CD1-CB 4.13Å; I435-V521 HydrophobicContact CD1-CG2 3.77Å; I435-V521 HydrophobicContact CG1-CG2 4.4Å; I435-V521 HydrophobicContact CG2-CB 4.38Å; I435-V521 HydrophobicContact CG2-CG2 3.82Å
436D93.4Very high90.8Very high44 Ų4463.5 Ų63.524%0.23531%0.311CS..  trans-80.999.4175.5-176.1-20.5000108.9V434 Q438 R439 T440 C449V434-D436 PolarHBondContact O-N 2.88Å; D436-Q438 PolarHBondContact O-N 2.96Å; D436-Q438 WeakPolarHBondContact OD1-CB 3.39Å; D436-Q438 PolarHBondContact OD1-N 3.04Å; D436-R439 HydrophobicContact CB-CB 4.35Å; D436-R439 PolarHBondContact O-N 3.15Å; D436-R439 PolarHBondContact OD1-N 3.26Å; D436-R439 WeakPolarHBondContact OD2-CD 2.94Å; D436-R439 WeakPolarHBondContact OD2-CG 3.27Å; D436-T440 WeakPolarHBondContact O-CB 3.41Å; D436-T440 PolarHBondContact O-N 3.48Å; D436-T440 PolarHBondContact O-OG1 3.21Å; D436-C449 PolarHBondContact N-O 3.32Å
437T88.7Confident91.1Very high101 Ų10157.7 Ų57.762%0.6229%0.285SS*.THydrogen-bonded Turntrans-68.6-16.2-178.255.30000113.7I435 V521I435-T437 PolarHBondContact O-N 3.32Å; T437-V521 HydrophobicContact CG2-CG2 4.29Å
438Q86.6Confident91.4Very high177 Ų17752.6 Ų52.683%0.82726%0.258SS*.THydrogen-bonded Turntrans-82.6-33.7177.1-61.5-175.5-8.500111.7D436D436-Q438 PolarHBondContact O-N 2.96Å; D436-Q438 WeakPolarHBondContact OD1-CB 3.39Å; D436-Q438 PolarHBondContact OD1-N 3.04Å
439R87.1Confident91.8Very high143 Ų14345.1 Ų45.154%0.5423%0.23SC..THydrogen-bonded Turntrans-94.4-16.2179.3-63.1-174.867.2-158-2.4113.4D436 F441 F447 C449D436-R439 HydrophobicContact CB-CB 4.35Å; D436-R439 PolarHBondContact O-N 3.15Å; D436-R439 PolarHBondContact OD1-N 3.26Å; D436-R439 WeakPolarHBondContact OD2-CD 2.94Å; D436-R439 WeakPolarHBondContact OD2-CG 3.27Å; R439-F441 WeakPolarHBondContact O-CD1 3.4Å; R439-F447 WeakPolarHBondContact O-CD1 3.37Å; R439-C449 HydrophobicContact CB-CB 4.08Å
440T90.3Very high92Very high7 Ų742.2 Ų42.24%0.04321%0.213CC..  trans-86.2126.8176.6-64.50000110.1I435 D436 F447 L448 C449 L523I435-T440 HydrophobicContact CG2-CG2 4.33Å; D436-T440 WeakPolarHBondContact O-CB 3.41Å; D436-T440 PolarHBondContact O-N 3.48Å; D436-T440 PolarHBondContact O-OG1 3.21Å; T440-F447 VanDerWaalsContact CA-O 3.27Å; T440-F447 WeakPolarHBondContact CA-O 3.39Å; T440-F447 WeakPolarHBondContact CG2-O 3.35Å; T440-L448 HydrophobicContact CG2-CD1 3.6Å; T440-C449 PolarHBondContact OG1-N 3.39Å; T440-C449 PolarHBondContact OG1-O 2.85Å; T440-L523 HydrophobicContact CG2-CD1 3.46Å; T440-L523 VanDerWaalsContact CG2-CD1 3.46Å; T440-L523 HydrophobicContact CG2-CD2 4.03Å; T440-L523 HydrophobicContact CG2-CG 4.27Å
441F87.7Confident92Very high56 Ų5650.3 Ų50.325%0.24624%0.243CC..EExtended strand (participates in β ladder)trans-156.6163.1178.967.4-80.1000112R439 F447 V742R439-F441 WeakPolarHBondContact O-CD1 3.4Å; F441-F447 HydrophobicContact CD1-CB 4.28Å; F441-F447 HydrophobicContact CE1-CB 4.09Å; F441-F447 HydrophobicContact CE1-CD1 4.36Å; F441-F447 PolarHBondContact N-O 3.38Å; F441-F447 PolarHBondContact O-N 3.16Å; F441-V742 HydrophobicContact CD2-CG2 4.06Å; F441-V742 HydrophobicContact CE2-CG2 3.29Å; F441-V742 HydrophobicContact CZ-CG2 3.62Å
442A89.4Confident92Very high17 Ų1748 Ų4814%0.1423%0.233CC..EExtended strand (participates in β ladder)trans-119.6130.1176.100000110.1Q445 I446 H524 T525A442-Q445 WeakPolarHBondContact CA-O 3.44Å; A442-I446 HydrophobicContact CB-CG1 3.92Å; A442-H524 WeakPolarHBondContact CB-O 3.41Å; A442-T525 HydrophobicContact CB-CG2 4.33Å
443Y88.7Confident91.9Very high17 Ų1748.1 Ų48.17%0.06723%0.232CC..SBendtrans-138.1-104.6173.3-171.4-124.1000109.9Q445 P526 V530 Y593 A595 Q739Y443-Q445 VanDerWaalsContact C-N 3.33Å; Y443-Q445 PolarHBondContact N-O 3.25Å; Y443-P526 HydrophobicContact CD2-CG 4.35Å; Y443-P526 WeakPolarHBondContact O-CD 3.43Å; Y443-P526 VanDerWaalsContact O-CG 3.27Å; Y443-P526 WeakPolarHBondContact O-CG 3.32Å; Y443-V530 HydrophobicContact CD1-CG1 4.17Å; Y443-V530 HydrophobicContact CD1-CG2 4.43Å; Y443-V530 HydrophobicContact CD2-CG2 4.11Å; Y443-V530 HydrophobicContact CE1-CG1 3.48Å; Y443-V530 VanDerWaalsContact CE1-CG1 3.48Å; Y443-V530 HydrophobicContact CE1-CG2 4.4Å; Y443-V530 HydrophobicContact CE2-CG1 4.1Å; Y443-V530 HydrophobicContact CE2-CG2 4.06Å; Y443-V530 HydrophobicContact CG-CG2 4.29Å; Y443-V530 VanDerWaalsContact CZ-CG1 3.43Å; Y443-Y593 HydrophobicContact CD2-CE1 4.13Å; Y443-Y593 HydrophobicContact CE2-CD1 4.09Å; Y443-Y593 AromaticContact CE2-CE1 3.73Å; Y443-Y593 HydrophobicContact CE2-CE1 3.73Å; Y443-A595 HydrophobicContact CE2-CB 3.94Å; Y443-A595 PolarHBondContact OH-N 3.12Å; Y443-Q739 HydrophobicContact CD1-CG 3.8Å; Y443-Q739 HydrophobicContact CD2-CG 3.94Å; Y443-Q739 HydrophobicContact CE1-CB 4.11Å; Y443-Q739 HydrophobicContact CE1-CG 3.74Å; Y443-Q739 HydrophobicContact CE2-CB 4.19Å; Y443-Q739 HydrophobicContact CE2-CG 3.89Å; Y443-Q739 HydrophobicContact CG-CG 3.9Å
444D85.9Confident91.5Very high33 Ų3353.9 Ų53.918%0.17627%0.269CS..SBendtrans-70.6-34.1167.559.6-41000111.4P496 V530 P741 V742D444-P496 WeakPolarHBondContact O-CD 3.49Å; D444-V530 HydrophobicContact CB-CB 4.39Å; D444-V530 HydrophobicContact CB-CG2 4.35Å; D444-P741 WeakPolarHBondContact OD2-CB 3.5Å; D444-V742 WeakPolarHBondContact OD1-CB 3.35Å; D444-V742 WeakPolarHBondContact OD1-CG2 3.01Å; D444-V742 PolarHBondContact OD1-N 3.21Å; D444-V742 PolarHBondContact OD2-N 3.27Å
445Q90.5Very high91.1Very high28 Ų2858.3 Ų58.313%0.13128%0.284CS..SBendtrans-136.1171176.5-59.1-180-8.300109.4A442 Y443 L492 L493 V742A442-Q445 WeakPolarHBondContact CA-O 3.44Å; Y443-Q445 VanDerWaalsContact C-N 3.33Å; Y443-Q445 PolarHBondContact N-O 3.25Å; Q445-L492 HydrophobicContact CB-CD1 3.74Å; Q445-L492 VanDerWaalsContact OE1-CD1 3.23Å; Q445-L492 VanDerWaalsContact OE1-CG 3.31Å; Q445-L493 WeakPolarHBondContact CB-O 3.35Å; Q445-V742 HydrophobicContact CB-CB 4.13Å; Q445-V742 HydrophobicContact CB-CG1 4.31Å
446I90.9Very high90.8Very high0 Ų058.3 Ų58.30%029%0.286CS..EExtended strand (participates in β ladder)trans-99.8115.6175-55176.2000109A442 L492 L493 P496 Y502 L504 L523 T525A442-I446 HydrophobicContact CB-CG1 3.92Å; I446-L492 CarbonylContact O-C 3.44Å; I446-L492 WeakPolarHBondContact O-CA 3.49Å; I446-L493 HydrophobicContact CB-CB 4.06Å; I446-L493 HydrophobicContact CB-CD1 4.36Å; I446-L493 HydrophobicContact CB-CG 4.41Å; I446-L493 HydrophobicContact CD1-CD1 4.36Å; I446-L493 HydrophobicContact CG2-CD1 4.46Å; I446-L493 PolarHBondContact N-O 3.4Å; I446-L493 PolarHBondContact O-N 3.04Å; I446-P496 HydrophobicContact CD1-CB 3.96Å; I446-P496 HydrophobicContact CG1-CB 3.96Å; I446-P496 HydrophobicContact CG1-CG 4.22Å; I446-Y502 HydrophobicContact CD1-CD1 4.18Å; I446-Y502 HydrophobicContact CD1-CD2 3.85Å; I446-Y502 HydrophobicContact CD1-CE2 4.29Å; I446-Y502 HydrophobicContact CD1-CG 3.78Å; I446-L504 HydrophobicContact CG2-CD2 4.03Å; I446-L523 HydrophobicContact CG2-CD1 3.52Å; I446-T525 HydrophobicContact CD1-CG2 4.22Å; I446-T525 HydrophobicContact CG1-CG2 4.49Å
447F92.2Very high90.6Very high51 Ų5157.5 Ų57.522%0.22428%0.283CS..EExtended strand (participates in β ladder)trans-91.1120.9169.2-163.9-111.4000109.7R439 T440 F441 C449 V742R439-F447 WeakPolarHBondContact O-CD1 3.37Å; T440-F447 VanDerWaalsContact CA-O 3.27Å; T440-F447 WeakPolarHBondContact CA-O 3.39Å; T440-F447 WeakPolarHBondContact CG2-O 3.35Å; F441-F447 HydrophobicContact CD1-CB 4.28Å; F441-F447 HydrophobicContact CE1-CB 4.09Å; F441-F447 HydrophobicContact CE1-CD1 4.36Å; F441-F447 PolarHBondContact N-O 3.38Å; F441-F447 PolarHBondContact O-N 3.16Å; F447-C449 HydrophobicContact CE1-CB 4.02Å; F447-V742 HydrophobicContact CB-CG1 3.53Å; F447-V742 HydrophobicContact CD2-CG1 3.97Å; F447-V742 HydrophobicContact CG-CG1 4.12Å
448L94.5Very high90.8Very high0 Ų057.1 Ų57.10%028%0.282CS..EExtended strand (participates in β ladder)trans-110.6131175.1-171.765.3000109.4I435 T440 W450 V464 S490 A491 L504 V506I435-L448 HydrophobicContact CD1-CD1 4.15Å; I435-L448 HydrophobicContact CG1-CD1 4.26Å; I435-L448 HydrophobicContact CG2-CD1 3.61Å; T440-L448 HydrophobicContact CG2-CD1 3.6Å; L448-W450 HydrophobicContact CB-CZ3 4.17Å; L448-W450 HydrophobicContact CD2-CE3 4.06Å; L448-W450 HydrophobicContact CD2-CZ3 3.82Å; L448-W450 HydrophobicContact CG-CE3 3.83Å; L448-W450 HydrophobicContact CG-CZ3 3.83Å; L448-V464 HydrophobicContact CD2-CG1 3.62Å; L448-V464 HydrophobicContact CD2-CG2 4.35Å; L448-S490 CarbonylContact O-C 3.54Å; L448-S490 WeakPolarHBondContact O-CA 3.39Å; L448-S490 VanDerWaalsContact O-CB 3.29Å; L448-S490 WeakPolarHBondContact O-CB 3.38Å; L448-A491 PolarHBondContact N-O 2.95Å; L448-A491 PolarHBondContact O-N 3.02Å; L448-L504 HydrophobicContact CD1-CB 4.5Å; L448-L504 HydrophobicContact CD1-CD2 4.32Å; L448-L504 HydrophobicContact CD2-CD2 4.24Å; L448-V506 HydrophobicContact CD2-CG2 3.5Å; L448-V506 HydrophobicContact CG-CG2 4.45Å
449C95.8Very high91Very high3 Ų349.6 Ų49.62%0.0225%0.25CS..EExtended strand (participates in β ladder)trans-132.1140.5174.6-1700000109.9D436 R439 T440 F447 T489D436-C449 PolarHBondContact N-O 3.32Å; R439-C449 HydrophobicContact CB-CB 4.08Å; T440-C449 PolarHBondContact OG1-N 3.39Å; T440-C449 PolarHBondContact OG1-O 2.85Å; F447-C449 HydrophobicContact CE1-CB 4.02Å; C449-T489 WeakPolarHBondContact CA-O 3.28Å; C449-T489 PolarHBondContact SG-O 3.18Å
450W96.7Very high91.3Very high5 Ų550.5 Ų50.52%0.01925%0.254CS..EExtended strand (participates in β ladder)trans-140.1174.6179.45892.8000111.2P433 V434 I435 L448 Y462 V464 V486 T489 S490 A491 V506P433-W450 HydrophobicContact CB-CB 4.4Å; P433-W450 HydrophobicContact CB-CG 4.3Å; V434-W450 CarbonylContact O-C 3.59Å; V434-W450 WeakPolarHBondContact O-CA 3.47Å; V434-W450 VanDerWaalsContact O-CB 3.31Å; V434-W450 WeakPolarHBondContact O-CB 3.4Å; I435-W450 HydrophobicContact CG1-CB 4.41Å; L448-W450 HydrophobicContact CB-CZ3 4.17Å; L448-W450 HydrophobicContact CD2-CE3 4.06Å; L448-W450 HydrophobicContact CD2-CZ3 3.82Å; L448-W450 HydrophobicContact CG-CE3 3.83Å; L448-W450 HydrophobicContact CG-CZ3 3.83Å; W450-Y462 AromaticContact CD1-CE1 3.86Å; W450-Y462 AromaticContact CE2-CG 3.9Å; W450-Y462 HydrophobicContact CZ2-CD1 4.47Å; W450-Y462 AromaticContact CZ2-CD2 4Å; W450-Y462 HydrophobicContact CZ2-CD2 4Å; W450-Y462 AromaticContact CZ2-CG 3.83Å; W450-Y462 HydrophobicContact CZ2-CG 3.83Å; W450-Y462 AromaticContact NE1-CD1 3.31Å; W450-Y462 VanDerWaalsContact NE1-CD1 3.31Å; W450-Y462 AromaticContact NE1-CD2 3.6Å; W450-Y462 AromaticContact NE1-CE1 3.36Å; W450-Y462 AromaticContact NE1-CE2 3.66Å; W450-Y462 AromaticContact NE1-CG 3.43Å; W450-Y462 AromaticContact NE1-CZ 3.53Å; W450-V464 HydrophobicContact CH2-CG2 3.67Å; W450-V464 HydrophobicContact CZ2-CG2 4.43Å; W450-V464 HydrophobicContact CZ3-CG2 4.02Å; W450-V486 HydrophobicContact CH2-CG1 3.95Å; W450-V486 HydrophobicContact CZ2-CG1 4.17Å; W450-T489 PolarHBondContact N-O 3.35Å; W450-T489 VanDerWaalsContact O-CB 3.3Å; W450-T489 WeakPolarHBondContact O-CB 3.42Å; W450-S490 VanDerWaalsContact CH2-C 3.41Å; W450-A491 HydrophobicContact CH2-CB 3.74Å; W450-A491 HydrophobicContact CZ3-CB 3.84Å; W450-V506 HydrophobicContact CD2-CB 4.49Å; W450-V506 HydrophobicContact CD2-CG1 3.96Å; W450-V506 HydrophobicContact CD2-CG2 4.23Å; W450-V506 HydrophobicContact CE3-CG1 4.38Å; W450-V506 HydrophobicContact CE3-CG2 3.94Å; W450-V506 HydrophobicContact CG-CG1 4.37Å; W450-V506 HydrophobicContact CH2-CG1 4.43Å; W450-V506 HydrophobicContact CZ2-CG1 4.04Å; W450-V506 HydrophobicContact CZ3-CG2 4.21Å
451R95.6Very high91.5Very high170 Ų17052.1 Ų52.164%0.64226%0.261SS*.EExtended strand (participates in β ladder)trans-142.7148.917363.2-174.1-157.9146.25.7110.2V434V434-R451 HydrophobicContact CB-CG 4.32Å; V434-R451 PolarHBondContact N-O 2.8Å; V434-R451 PolarHBondContact O-N 3.02Å
452L94Very high92Very high37 Ų3750.2 Ų50.219%0.19425%0.252CS..  trans-88143.3175.2-15668.7000109.6P430 E431 P433 S456 P457 A459 Y462P430-L452 HydrophobicContact CB-CD1 4.31Å; E431-L452 WeakPolarHBondContact O-CD1 3.25Å; P433-L452 HydrophobicContact CG-CD1 4.25Å; L452-S456 WeakPolarHBondContact CD2-OG 3.34Å; L452-S456 WeakPolarHBondContact CG-OG 3.45Å; L452-P457 VanDerWaalsContact CD2-O 3.22Å; L452-P457 WeakPolarHBondContact CD2-O 3.38Å; L452-A459 HydrophobicContact CD2-CB 4.49Å; L452-Y462 HydrophobicContact CD1-CE1 4.32Å
453P93.3Very high92.3Very high32 Ų3249.4 Ų49.421%0.20825%0.245CC..  trans-54.9142.9174.8-27.936000112.4E431 H455 S456E431-P453 HydrophobicContact CB-CG 4.05Å; E431-P453 WeakPolarHBondContact OE2-CB 3.41Å; P453-H455 PolarHBondContact O-N 3.02Å; P453-H455 VanDerWaalsContact O-N 3.09Å; P453-S456 VanDerWaalsContact O-CB 3.26Å; P453-S456 WeakPolarHBondContact O-CB 3.41Å; P453-S456 PolarHBondContact O-N 3.49Å
454P88.1Confident92.6Very high123 Ų12348.6 Ų48.680%0.79924%0.242SC*.THydrogen-bonded Turntrans-59.3-25.9-173.4-2634000115.6
455H87.5Confident93Very high166 Ų16647.1 Ų47.177%0.76923%0.234SC*.THydrogen-bonded Turntrans-98.6-1.8-179.6-60.1-58.5000113.6P453P453-H455 PolarHBondContact O-N 3.02Å; P453-H455 VanDerWaalsContact O-N 3.09Å
456S90.2Very high93.1Very high15 Ų1547.1 Ų47.111%0.10523%0.234CC..SBendtrans-71.5142.1178.4176.50000110.5E431 L452 P453E431-S456 PolarHBondContact N-OG 3.43Å; L452-S456 WeakPolarHBondContact CD2-OG 3.34Å; L452-S456 WeakPolarHBondContact CG-OG 3.45Å; P453-S456 VanDerWaalsContact O-CB 3.26Å; P453-S456 WeakPolarHBondContact O-CB 3.41Å; P453-S456 PolarHBondContact O-N 3.49Å
457P90Very high93.1Very high26 Ų2650.2 Ų50.217%0.16925%0.246CC..PPolyproline II helixtrans-60.3147.6165.929-34.5000109.7R428 V429 L452R428-P457 HydrophobicContact CB-CG 4.03Å; R428-P457 WeakPolarHBondContact O-CG 3.42Å; V429-P457 VanDerWaalsContact O-CG 3.27Å; V429-P457 WeakPolarHBondContact O-CG 3.35Å; L452-P457 VanDerWaalsContact CD2-O 3.22Å; L452-P457 WeakPolarHBondContact CD2-O 3.38Å
458P90.9Very high93Very high93 Ų9351.3 Ų51.360%0.60425%0.248SC*.PPolyproline II helixtrans-64.9139.3-176.626.6-34.4000111.3N510P458-N510 PolarHBondContact O-ND2 2.99Å
459A92.7Very high92.3Very high20 Ų2054.6 Ų54.617%0.16527%0.268CS..PPolyproline II helixtrans-84.2138.8166.900000109.9P430 L452 Y462 C509P430-A459 HydrophobicContact CB-CB 4.07Å; P430-A459 HydrophobicContact CG-CB 3.85Å; L452-A459 HydrophobicContact CD2-CB 4.49Å; A459-Y462 HydrophobicContact CB-CD1 4.44Å; A459-Y462 HydrophobicContact CB-CE1 3.78Å; A459-Y462 HydrophobicContact CB-CE2 4.09Å; A459-C509 CarbonylContact C-O 3.48Å
460W92.9Very high91Very high162 Ų16257.8 Ų57.861%0.61429%0.285SS*.SBendtrans-83.8-35.8175.7-61.8-9.6000111.7C509 N510 K511W460-C509 PolarHBondContact N-O 3.28Å; W460-N510 HydrophobicContact CD2-CB 4.16Å; W460-N510 HydrophobicContact CG-CB 4.15Å; W460-K511 HydrophobicContact CH2-CB 3.31Å; W460-K511 HydrophobicContact CH2-CD 3.92Å; W460-K511 HydrophobicContact CH2-CG 3.58Å; W460-K511 HydrophobicContact CZ2-CB 3.82Å; W460-K511 HydrophobicContact CZ2-CG 4.48Å; W460-K511 HydrophobicContact CZ3-CB 3.76Å; W460-K511 HydrophobicContact CZ3-CG 3.97Å
461H94.9Very high89.4Confident41 Ų4161.1 Ų61.119%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-150.3166.8172.465.485.5000110.4C509H461-C509 WeakPolarHBondContact CE1-CB 3.4Å; H461-C509 PolarHBondContact N-O 3.16Å; H461-C509 PolarHBondContact NE2-SG 3.16Å; H461-C509 VanDerWaalsContact NE2-SG 3.41Å; H461-C509 PolarHBondContact O-N 3.39Å
462Y96.6Very high87.5Confident15 Ų1558.2 Ų58.26%0.05931%0.309CS..EExtended strand (participates in β ladder)trans-119.7154.4177.5-62.5-91.1000111.4P433 W450 L452 A459 E485 V486 G488 V506 R507P433-Y462 HydrophobicContact CB-CE1 4.35Å; P433-Y462 HydrophobicContact CG-CD1 3.93Å; P433-Y462 HydrophobicContact CG-CE1 3.8Å; W450-Y462 AromaticContact CD1-CE1 3.86Å; W450-Y462 AromaticContact CE2-CG 3.9Å; W450-Y462 HydrophobicContact CZ2-CD1 4.47Å; W450-Y462 AromaticContact CZ2-CD2 4Å; W450-Y462 HydrophobicContact CZ2-CD2 4Å; W450-Y462 AromaticContact CZ2-CG 3.83Å; W450-Y462 HydrophobicContact CZ2-CG 3.83Å; W450-Y462 AromaticContact NE1-CD1 3.31Å; W450-Y462 VanDerWaalsContact NE1-CD1 3.31Å; W450-Y462 AromaticContact NE1-CD2 3.6Å; W450-Y462 AromaticContact NE1-CE1 3.36Å; W450-Y462 AromaticContact NE1-CE2 3.66Å; W450-Y462 AromaticContact NE1-CG 3.43Å; W450-Y462 AromaticContact NE1-CZ 3.53Å; L452-Y462 HydrophobicContact CD1-CE1 4.32Å; A459-Y462 HydrophobicContact CB-CD1 4.44Å; A459-Y462 HydrophobicContact CB-CE1 3.78Å; A459-Y462 HydrophobicContact CB-CE2 4.09Å; Y462-E485 PolarHBondContact O-N 3.23Å; Y462-V486 PolarHBondContact N-O 3.17Å; Y462-V486 PolarHBondContact O-N 3.29Å; Y462-G488 WeakPolarHBondContact CD2-O 3.41Å; Y462-G488 WeakPolarHBondContact CE2-O 3.41Å; Y462-V506 HydrophobicContact CD1-CG1 3.98Å; Y462-V506 HydrophobicContact CG-CG1 4.31Å; Y462-R507 CarbonylContact C-O 3.56Å; Y462-R507 VanDerWaalsContact CA-O 3.27Å; Y462-R507 WeakPolarHBondContact CA-O 3.49Å
463T96.3Very high85.6Confident0 Ų060.1 Ų60.10%033%0.33CS..EExtended strand (participates in β ladder)trans-113.3121.9168.8-58.10000108E465 R482 R483 E484 V506 R507T463-E465 HydrophobicContact CG2-CG 4.38Å; T463-R482 VanDerWaalsContact CG2-CD 3.43Å; T463-R482 HydrophobicContact CG2-CG 3.37Å; T463-R483 WeakPolarHBondContact CA-O 3.17Å; T463-E484 HydrophobicContact CG2-CG 4.25Å; T463-V506 WeakPolarHBondContact O-CA 3.33Å; T463-R507 PolarHBondContact N-O 2.9Å; T463-R507 PolarHBondContact O-N 3.4Å
464V95.7Very high83.7Confident0 Ų066.1 Ų66.10%036%0.355CS..EExtended strand (participates in β ladder)trans-101.5127.1175.2-179.30000108.1L448 W450 R482 R483 V486 A491 V506L448-V464 HydrophobicContact CD2-CG1 3.62Å; L448-V464 HydrophobicContact CD2-CG2 4.35Å; W450-V464 HydrophobicContact CH2-CG2 3.67Å; W450-V464 HydrophobicContact CZ2-CG2 4.43Å; W450-V464 HydrophobicContact CZ3-CG2 4.02Å; V464-R482 CarbonylContact O-C 3.52Å; V464-R482 WeakPolarHBondContact O-CA 3.32Å; V464-R483 HydrophobicContact CB-CB 4.43Å; V464-R483 PolarHBondContact N-O 3.36Å; V464-R483 PolarHBondContact O-N 3.03Å; V464-V486 HydrophobicContact CG2-CG2 4.08Å; V464-A491 HydrophobicContact CG2-CB 3.99Å; V464-V506 HydrophobicContact CG1-CG2 4.39Å; V464-V506 HydrophobicContact CG2-CG1 4.23Å; V464-V506 HydrophobicContact CG2-CG2 4.06Å
465E94.6Very high81.7Confident3 Ų367.2 Ų67.21%0.01436%0.363CS..EExtended strand (participates in β ladder)trans-117.1139.1172.7-72.4-175.3178.300110.5T463 W480 Q481 R482 L504 R505 Y517T463-E465 HydrophobicContact CG2-CG 4.38Å; E465-W480 HydrophobicContact CB-CB 4.23Å; E465-W480 HydrophobicContact CB-CD2 4.31Å; E465-W480 HydrophobicContact CB-CE3 3.81Å; E465-W480 HydrophobicContact CG-CB 4.39Å; E465-Q481 CarbonylContact C-O 3.57Å; E465-Q481 WeakPolarHBondContact CA-O 3.48Å; E465-R482 HydrophobicContact CG-CB 4.11Å; E465-R482 HydrophobicContact CG-CG 3.89Å; E465-R482 IonicContact OE1-CZ 3.33Å; E465-R482 VanDerWaalsContact OE1-CZ 3.26Å; E465-R482 IonicContact OE1-NE 3.42Å; E465-R482 PolarHBondContact OE1-NE 3.47Å; E465-R482 IonicContact OE1-NH2 3.77Å; E465-R482 PolarHBondContact OE1-NH2 3.1Å; E465-L504 WeakPolarHBondContact O-CA 3.46Å; E465-R505 HydrophobicContact CB-CG 3.85Å; E465-R505 PolarHBondContact N-O 3.38Å; E465-R505 PolarHBondContact O-N 2.88Å; E465-R505 IonicContact OE2-CZ 3.12Å; E465-R505 IonicContact OE2-NE 2.78Å; E465-R505 PolarHBondContact OE2-NE 3.03Å; E465-R505 IonicContact OE2-NH2 2.64Å; E465-R505 PolarHBondContact OE2-NH2 3.09Å; E465-Y517 HydrophobicContact CB-CE1 4.42Å; E465-Y517 HydrophobicContact CG-CE1 4.07Å; E465-Y517 PolarHBondContact OE1-OH 2.81Å; E465-Y517 PolarHBondContact OE2-OH 3.46Å
466F92.4Very high80.2Confident27 Ų2761.7 Ų61.712%0.11835%0.35CS..EExtended strand (participates in β ladder)trans-144.5151.4179.261-82.4000111.4Q481 L493 Y502 V503 L504F466-Q481 HydrophobicContact CD1-CB 4.36Å; F466-Q481 HydrophobicContact CD2-CB 4.11Å; F466-Q481 HydrophobicContact CE1-CB 3.98Å; F466-Q481 HydrophobicContact CE2-CB 3.72Å; F466-Q481 HydrophobicContact CE2-CG 4.28Å; F466-Q481 HydrophobicContact CG-CB 4.42Å; F466-Q481 HydrophobicContact CZ-CB 3.64Å; F466-Q481 PolarHBondContact N-O 3.28Å; F466-Q481 WeakPolarHBondContact O-CB 3.48Å; F466-Q481 PolarHBondContact O-N 2.86Å; F466-L493 HydrophobicContact CB-CD1 3.97Å; F466-L493 HydrophobicContact CD1-CD1 3.78Å; F466-L493 HydrophobicContact CD1-CD2 3.79Å; F466-L493 HydrophobicContact CD1-CG 4.46Å; F466-L493 HydrophobicContact CD2-CD1 4.01Å; F466-L493 HydrophobicContact CE1-CD1 4.27Å; F466-L493 HydrophobicContact CE1-CD2 3.66Å; F466-L493 HydrophobicContact CE2-CD1 4.46Å; F466-L493 HydrophobicContact CG-CD1 3.64Å; F466-L493 HydrophobicContact CG-CD2 4.48Å; F466-L493 HydrophobicContact CZ-CD2 4.22Å; F466-Y502 HydrophobicContact CD2-CD1 4.08Å; F466-Y502 HydrophobicContact CD2-CE1 4.09Å; F466-V503 CarbonylContact C-O 3.58Å; F466-V503 WeakPolarHBondContact CA-O 3.32Å; F466-L504 HydrophobicContact CB-CD2 4.32Å; F466-L504 HydrophobicContact CB-CG 4.13Å
467R90.6Very high78.6Confident65 Ų6567.1 Ų67.125%0.24539%0.385CS..EExtended strand (participates in β ladder)trans-151.8159174.166.8179.3178.5171.20.9111T478 W480 Y502 V503R467-T478 PolarHBondContact NH1-OG1 3.07Å; R467-W480 HydrophobicContact CB-CD2 4.49Å; R467-W480 HydrophobicContact CB-CE3 4.13Å; R467-W480 HydrophobicContact CG-CD2 4.21Å; R467-W480 HydrophobicContact CG-CE3 3.86Å; R467-W480 HydrophobicContact CG-CH2 4.14Å; R467-W480 HydrophobicContact CG-CZ2 4.42Å; R467-W480 HydrophobicContact CG-CZ3 3.83Å; R467-Y502 CarbonylContact O-C 3.59Å; R467-Y502 WeakPolarHBondContact O-CA 3.48Å; R467-V503 HydrophobicContact CG-CB 4.25Å; R467-V503 PolarHBondContact N-O 3.32Å; R467-V503 PolarHBondContact O-N 2.98Å
468R89Confident77.1Confident74 Ų7469.4 Ų69.428%0.27940%0.399SS..EExtended strand (participates in β ladder)trans-86.6142.1172.7-82.6178.162.5-174.96.6111.2D470 V471 D497 S500 V501 Y502R468-D470 VanDerWaalsContact CB-OD1 3.3Å; R468-D470 WeakPolarHBondContact CB-OD1 3.29Å; R468-D470 IonicContact CZ-OD1 3.62Å; R468-D470 IonicContact CZ-OD2 2.94Å; R468-D470 IonicContact NE-OD1 2.77Å; R468-D470 PolarHBondContact NE-OD1 3.33Å; R468-D470 IonicContact NE-OD2 3.67Å; R468-D470 PolarHBondContact NE-OD2 3.17Å; R468-D470 IonicContact NH2-OD1 3.25Å; R468-D470 IonicContact NH2-OD2 3.78Å; R468-D470 PolarHBondContact NH2-OD2 2.84Å; R468-V471 HydrophobicContact CB-CG2 4.35Å; R468-D497 WeakPolarHBondContact CD-OD2 3.2Å; R468-D497 IonicContact CZ-OD2 2.66Å; R468-D497 IonicContact NE-OD2 2.89Å; R468-D497 IonicContact NH1-OD1 3.71Å; R468-D497 PolarHBondContact NH1-OD1 3.26Å; R468-D497 IonicContact NH1-OD2 2.79Å; R468-D497 PolarHBondContact NH1-OD2 2.79Å; R468-S500 PolarHBondContact NE-OG 2.92Å; R468-S500 PolarHBondContact NH2-OG 3.47Å; R468-V501 WeakPolarHBondContact CA-O 3.39Å; R468-Y502 HydrophobicContact CG-CD1 4.16Å; R468-Y502 HydrophobicContact CG-CD2 4.43Å; R468-Y502 HydrophobicContact CG-CE1 3.72Å; R468-Y502 HydrophobicContact CG-CE2 4.02Å; R468-Y502 HydrophobicContact CG-CG 4.5Å
469T81.2Confident76.4Confident69 Ų6976 Ų7642%0.42341%0.412SS..SBendtrans-101.4-11.5177.459.50000113.9V501 V503T469-V501 PolarHBondContact N-O 3.25Å; T469-V501 WeakPolarHBondContact OG1-CB 3.41Å; T469-V501 PolarHBondContact OG1-O 2.64Å; T469-V503 HydrophobicContact CG2-CB 4.41Å; T469-V503 HydrophobicContact CG2-CG2 3.28Å
470D67.3Low76.2Confident71 Ų7177.3 Ų77.338%0.3841%0.412SS..SBendtrans-82.9-12.1-178.261.3-45.6000113.4R468 P472 S500R468-D470 VanDerWaalsContact CB-OD1 3.3Å; R468-D470 WeakPolarHBondContact CB-OD1 3.29Å; R468-D470 IonicContact CZ-OD1 3.62Å; R468-D470 IonicContact CZ-OD2 2.94Å; R468-D470 IonicContact NE-OD1 2.77Å; R468-D470 PolarHBondContact NE-OD1 3.33Å; R468-D470 IonicContact NE-OD2 3.67Å; R468-D470 PolarHBondContact NE-OD2 3.17Å; R468-D470 IonicContact NH2-OD1 3.25Å; R468-D470 IonicContact NH2-OD2 3.78Å; R468-D470 PolarHBondContact NH2-OD2 2.84Å; D470-P472 WeakPolarHBondContact O-CD 3.34Å; D470-S500 PolarHBondContact OD2-OG 2.87Å
471V63.1Low76Confident75 Ų7574.9 Ų74.946%0.45541%0.408SS..SBendtrans-82.8116.4172.1-174.10000108.7R468 A473R468-V471 HydrophobicContact CB-CG2 4.35Å; V471-A473 PolarHBondContact O-N 3.06Å
472P56.7Low75.8Confident109 Ų10978.7 Ų78.771%0.70842%0.42SS*.  trans-57.6130.5175.522.1-30.3000108.9D470 Q474D470-P472 WeakPolarHBondContact O-CD 3.34Å; P472-Q474 PolarHBondContact O-N 3.48Å
473A52.9Low75.5Confident76 Ų7682.7 Ų82.763%0.62844%0.435SS*.  trans-54.6106.3-179.100000109.3V471V471-A473 PolarHBondContact O-N 3.06Å
474Q54.2Low75.3Confident158 Ų15887.5 Ų87.574%0.73846%0.458SS*.  trans-55.2150.3163-69.9-178.50.800108.1P472 G476P472-Q474 PolarHBondContact O-N 3.48Å; Q474-G476 VanDerWaalsContact C-N 3.27Å; Q474-G476 PolarHBondContact O-N 3.29Å
475P45.8Very low74.9Confident147 Ų14793.7 Ų93.796%0.95549%0.487SS*.SBendtrans-64.589.9176.625.3-31.4000109.8
476G57Low74.8Confident49 Ų4994.4 Ų94.451%0.50549%0.491SS..SBendtrans171.9160.6-176.200000110.7Q474 T478Q474-G476 VanDerWaalsContact C-N 3.27Å; Q474-G476 PolarHBondContact O-N 3.29Å; G476-T478 PolarHBondContact O-N 3.15Å
477P55.2Low74.7Confident130 Ų130103 Ų10384%0.84452%0.523SS*.  trans-61.7122.8176.324.9-31.5000109.6R479P477-R479 PolarHBondContact O-N 2.88Å
478T60.2Low74.7Confident74 Ų74102 Ų10245%0.45453%0.533SS..  trans-59.8106.4176.8-2.50000108.7R467 G476 W480R467-T478 PolarHBondContact NH1-OG1 3.07Å; G476-T478 PolarHBondContact O-N 3.15Å; T478-W480 PolarHBondContact O-N 2.88Å
479R76.2Confident74.9Confident231 Ų231101.6 Ų101.687%0.87254%0.539SS*.  trans-75.2115.5-172.4-171.3176.9-179.8-176.80.2110.2P477P477-R479 PolarHBondContact O-N 2.88Å
480W87Confident75.5Confident47 Ų47100.7 Ų100.718%0.17854%0.536CS..  trans-63.8133168.2-69.188.5000110E465 R467 T478 V503 R505E465-W480 HydrophobicContact CB-CB 4.23Å; E465-W480 HydrophobicContact CB-CD2 4.31Å; E465-W480 HydrophobicContact CB-CE3 3.81Å; E465-W480 HydrophobicContact CG-CB 4.39Å; R467-W480 HydrophobicContact CB-CD2 4.49Å; R467-W480 HydrophobicContact CB-CE3 4.13Å; R467-W480 HydrophobicContact CG-CD2 4.21Å; R467-W480 HydrophobicContact CG-CE3 3.86Å; R467-W480 HydrophobicContact CG-CH2 4.14Å; R467-W480 HydrophobicContact CG-CZ2 4.42Å; R467-W480 HydrophobicContact CG-CZ3 3.83Å; T478-W480 PolarHBondContact O-N 2.88Å; W480-V503 HydrophobicContact CH2-CB 4.28Å; W480-V503 HydrophobicContact CH2-CG1 3.65Å; W480-V503 HydrophobicContact CZ3-CB 4.45Å; W480-V503 HydrophobicContact CZ3-CG1 4.15Å; W480-V503 WeakPolarHBondContact CZ3-O 3.37Å; W480-R505 VanDerWaalsContact CE2-CZ 3.49Å; W480-R505 HydrophobicContact CE3-CG 4.42Å; W480-R505 HydrophobicContact CH2-CG 4.12Å; W480-R505 HydrophobicContact CZ3-CG 3.94Å
481Q89.5Confident76.7Confident111 Ų11197.7 Ų97.752%0.51952%0.52SS..EExtended strand (participates in β ladder)trans-78.6144.5163.9-60.2-174.530.100108.1E465 F466E465-Q481 CarbonylContact C-O 3.57Å; E465-Q481 WeakPolarHBondContact CA-O 3.48Å; F466-Q481 HydrophobicContact CD1-CB 4.36Å; F466-Q481 HydrophobicContact CD2-CB 4.11Å; F466-Q481 HydrophobicContact CE1-CB 3.98Å; F466-Q481 HydrophobicContact CE2-CB 3.72Å; F466-Q481 HydrophobicContact CE2-CG 4.28Å; F466-Q481 HydrophobicContact CG-CB 4.42Å; F466-Q481 HydrophobicContact CZ-CB 3.64Å; F466-Q481 PolarHBondContact N-O 3.28Å; F466-Q481 WeakPolarHBondContact O-CB 3.48Å; F466-Q481 PolarHBondContact O-N 2.86Å
482R90.5Very high78.1Confident121 Ų12196.2 Ų96.246%0.45751%0.51SS..EExtended strand (participates in β ladder)trans-132.9135.6-171.7-171.8-174-72.5167.31.8111.4T463 V464 E465 E484T463-R482 VanDerWaalsContact CG2-CD 3.43Å; T463-R482 HydrophobicContact CG2-CG 3.37Å; V464-R482 CarbonylContact O-C 3.52Å; V464-R482 WeakPolarHBondContact O-CA 3.32Å; E465-R482 HydrophobicContact CG-CB 4.11Å; E465-R482 HydrophobicContact CG-CG 3.89Å; E465-R482 IonicContact OE1-CZ 3.33Å; E465-R482 VanDerWaalsContact OE1-CZ 3.26Å; E465-R482 IonicContact OE1-NE 3.42Å; E465-R482 PolarHBondContact OE1-NE 3.47Å; E465-R482 IonicContact OE1-NH2 3.77Å; E465-R482 PolarHBondContact OE1-NH2 3.1Å; R482-E484 VanDerWaalsContact CD-CG 3.42Å; R482-E484 WeakPolarHBondContact CD-OE1 3.44Å; R482-E484 HydrophobicContact CG-CG 3.8Å; R482-E484 IonicContact CZ-OE1 3.95Å; R482-E484 IonicContact NE-OE1 2.68Å; R482-E484 IonicContact NH1-OE1 3.49Å; R482-E484 PolarHBondContact NH1-OE1 3.35Å
483R90.9Very high79.7Confident99 Ų9991.5 Ų91.537%0.37448%0.478SS..EExtended strand (participates in β ladder)trans-111.6118.1163.3-118.4-173.6-179.8-177.37.6109.1T463 V464 V486 L492T463-R483 WeakPolarHBondContact CA-O 3.17Å; V464-R483 HydrophobicContact CB-CB 4.43Å; V464-R483 PolarHBondContact N-O 3.36Å; V464-R483 PolarHBondContact O-N 3.03Å; R483-V486 HydrophobicContact CB-CG2 4.33Å; R483-L492 PolarHBondContact NH1-O 3.29Å
484E90.7Very high81.3Confident102 Ų10293.1 Ų93.148%0.47747%0.473SS..EExtended strand (participates in β ladder)trans-96.3166.5179.4-64.1-172.4168.100111.1T463 R482 V486T463-E484 HydrophobicContact CG2-CG 4.25Å; R482-E484 VanDerWaalsContact CD-CG 3.42Å; R482-E484 WeakPolarHBondContact CD-OE1 3.44Å; R482-E484 HydrophobicContact CG-CG 3.8Å; R482-E484 IonicContact CZ-OE1 3.95Å; R482-E484 IonicContact NE-OE1 2.68Å; R482-E484 IonicContact NH1-OE1 3.49Å; R482-E484 PolarHBondContact NH1-OE1 3.35Å; E484-V486 PolarHBondContact O-N 3.41Å; E484-V486 VanDerWaalsContact O-N 3.12Å
485E88.4Confident82.7Confident129 Ų12992.3 Ų92.360%0.60347%0.474SS*.EExtended strand (participates in β ladder)trans5530.3174.3-56.2-169.8177.500116.1Y462 R487Y462-E485 PolarHBondContact O-N 3.23Å; E485-R487 PolarHBondContact O-N 3.41Å; E485-R487 VanDerWaalsContact O-N 3.09Å
486V92.2Very high84.6Confident18 Ų1886.3 Ų86.311%0.10944%0.435CS..EExtended strand (participates in β ladder)trans-68.1115.4176.2-176.40000109.2W450 Y462 V464 R483 E484 A491W450-V486 HydrophobicContact CH2-CG1 3.95Å; W450-V486 HydrophobicContact CZ2-CG1 4.17Å; Y462-V486 PolarHBondContact N-O 3.17Å; Y462-V486 PolarHBondContact O-N 3.29Å; V464-V486 HydrophobicContact CG2-CG2 4.08Å; R483-V486 HydrophobicContact CB-CG2 4.33Å; E484-V486 PolarHBondContact O-N 3.41Å; E484-V486 VanDerWaalsContact O-N 3.12Å; V486-A491 HydrophobicContact CG1-CB 4.2Å
487R89.4Confident86.1Confident207 Ų20787.3 Ų87.378%0.78143%0.429SS*.  trans-90130.4176.2-57.9-171.6-168.8-149.82.1109.4E485E485-R487 PolarHBondContact O-N 3.41Å; E485-R487 VanDerWaalsContact O-N 3.09Å
488G91.1Very high87.6Confident44 Ų4484.6 Ų84.645%0.45441%0.41SS..SBendtrans96.2-169.9-175.800000113.3Y462Y462-G488 WeakPolarHBondContact CD2-O 3.41Å; Y462-G488 WeakPolarHBondContact CE2-O 3.41Å
489T93.3Very high88.8Confident67 Ų6783.4 Ų83.441%0.41141%0.412SS..SBendtrans-111.523.2-171.352.80000113.3C449 W450C449-T489 WeakPolarHBondContact CA-O 3.28Å; C449-T489 PolarHBondContact SG-O 3.18Å; W450-T489 PolarHBondContact N-O 3.35Å; W450-T489 VanDerWaalsContact O-CB 3.3Å; W450-T489 WeakPolarHBondContact O-CB 3.42Å
490S93.8Very high89.5Confident50 Ų5072.5 Ų72.535%0.3537%0.372SS..EExtended strand (participates in β ladder)trans-150.1152.1177.556.90000112.1L448 W450L448-S490 CarbonylContact O-C 3.54Å; L448-S490 WeakPolarHBondContact O-CA 3.39Å; L448-S490 VanDerWaalsContact O-CB 3.29Å; L448-S490 WeakPolarHBondContact O-CB 3.38Å; W450-S490 VanDerWaalsContact CH2-C 3.41Å
491A93.4Very high89.6Confident7 Ų771.7 Ų71.76%0.05837%0.372CS..EExtended strand (participates in β ladder)trans-139.9152.8174.100000111L448 W450 V464 V486L448-A491 PolarHBondContact N-O 2.95Å; L448-A491 PolarHBondContact O-N 3.02Å; W450-A491 HydrophobicContact CH2-CB 3.74Å; W450-A491 HydrophobicContact CZ3-CB 3.84Å; V464-A491 HydrophobicContact CG2-CB 3.99Å; V486-A491 HydrophobicContact CG1-CB 4.2Å
492L91.8Very high89.7Confident44 Ų4467 Ų6723%0.2335%0.349CS..EExtended strand (participates in β ladder)trans-114.7117.4177.5-178.458.4000110.1Q445 I446 R483 E494 V742Q445-L492 HydrophobicContact CB-CD1 3.74Å; Q445-L492 VanDerWaalsContact OE1-CD1 3.23Å; Q445-L492 VanDerWaalsContact OE1-CG 3.31Å; I446-L492 CarbonylContact O-C 3.44Å; I446-L492 WeakPolarHBondContact O-CA 3.49Å; R483-L492 PolarHBondContact NH1-O 3.29Å; L492-E494 HydrophobicContact CG-CG 4.45Å; L492-V742 HydrophobicContact CD1-CB 4.34Å; L492-V742 HydrophobicContact CD1-CG1 3.3Å
493L90.4Very high89.8Confident10 Ų1061.4 Ų61.45%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-94.9115.8172.2-48.1178.2000109.4Q445 I446 F466 L504Q445-L493 WeakPolarHBondContact CB-O 3.35Å; I446-L493 HydrophobicContact CB-CB 4.06Å; I446-L493 HydrophobicContact CB-CD1 4.36Å; I446-L493 HydrophobicContact CB-CG 4.41Å; I446-L493 HydrophobicContact CD1-CD1 4.36Å; I446-L493 HydrophobicContact CG2-CD1 4.46Å; I446-L493 PolarHBondContact N-O 3.4Å; I446-L493 PolarHBondContact O-N 3.04Å; F466-L493 HydrophobicContact CB-CD1 3.97Å; F466-L493 HydrophobicContact CD1-CD1 3.78Å; F466-L493 HydrophobicContact CD1-CD2 3.79Å; F466-L493 HydrophobicContact CD1-CG 4.46Å; F466-L493 HydrophobicContact CD2-CD1 4.01Å; F466-L493 HydrophobicContact CE1-CD1 4.27Å; F466-L493 HydrophobicContact CE1-CD2 3.66Å; F466-L493 HydrophobicContact CE2-CD1 4.46Å; F466-L493 HydrophobicContact CG-CD1 3.64Å; F466-L493 HydrophobicContact CG-CD2 4.48Å; F466-L493 HydrophobicContact CZ-CD2 4.22Å; L493-L504 HydrophobicContact CD1-CD2 3.51Å
494E87.1Confident90Very high110 Ų11056.7 Ų56.751%0.51431%0.311SS..  trans-85.5150.8-177.7-62.8172.3163.900110.9L492L492-E494 HydrophobicContact CG-CG 4.45Å
495N82.6Confident90.2Very high141 Ų14154.3 Ų54.375%0.75430%0.297SS*.SBendtrans53.152.3176.5-51.1-47000114.6
496P86.6Confident90.6Very high21 Ų2148.1 Ų48.114%0.13627%0.269CS..PPolyproline II helixtrans-65.5142.2172.731-35.3000110.9D444 I446 T498 Y502 T525D444-P496 WeakPolarHBondContact O-CD 3.49Å; I446-P496 HydrophobicContact CD1-CB 3.96Å; I446-P496 HydrophobicContact CG1-CB 3.96Å; I446-P496 HydrophobicContact CG1-CG 4.22Å; P496-T498 PolarHBondContact O-N 3.42Å; P496-Y502 HydrophobicContact CB-CE2 4.14Å; P496-T525 HydrophobicContact CB-CG2 3.82Å; P496-T525 HydrophobicContact CG-CG2 4.46Å
497D87.3Confident90.8Very high71 Ų7149.2 Ų49.238%0.3827%0.271SS..PPolyproline II helixtrans-63.3133.4172.9-68.6-73.9000110R468 S500 Y502 T525R468-D497 WeakPolarHBondContact CD-OD2 3.2Å; R468-D497 IonicContact CZ-OD2 2.66Å; R468-D497 IonicContact NE-OD2 2.89Å; R468-D497 IonicContact NH1-OD1 3.71Å; R468-D497 PolarHBondContact NH1-OD1 3.26Å; R468-D497 IonicContact NH1-OD2 2.79Å; R468-D497 PolarHBondContact NH1-OD2 2.79Å; D497-S500 WeakPolarHBondContact CB-OG 3.45Å; D497-Y502 PolarHBondContact N-OH 3.43Å; D497-Y502 PolarHBondContact OD2-OH 3.4Å; D497-Y502 VanDerWaalsContact OD2-OH 3.14Å; D497-T525 WeakPolarHBondContact O-CB 3.4Å; D497-T525 PolarHBondContact O-OG1 2.9Å
498T87.1Confident91.1Very high72 Ų7239.3 Ų39.344%0.44223%0.233SC..THydrogen-bonded Turntrans-69.4143.9178.952.70000111.4P496 S500 P526 P529P496-T498 PolarHBondContact O-N 3.42Å; T498-S500 PolarHBondContact O-N 3.32Å; T498-S500 PolarHBondContact O-OG 3.09Å; T498-P526 CarbonylContact C-O 3.58Å; T498-P526 WeakPolarHBondContact CA-O 3.33Å; T498-P529 HydrophobicContact CG2-CG 4.25Å
499G86.4Confident91.2Very high49 Ų4937.7 Ų37.751%0.50522%0.215SC..THydrogen-bonded Turntrans66.220.8175.900000114.2T525 P526G499-T525 PolarHBondContact N-OG1 3.44Å; G499-P526 PolarHBondContact N-O 2.89Å
500S89.5Confident91.2Very high3 Ų335 Ų352%0.02120%0.198CC..  trans-107.8160.4-175.6-61.60000111R468 D470 D497 T498 T525R468-S500 PolarHBondContact NE-OG 2.92Å; R468-S500 PolarHBondContact NH2-OG 3.47Å; D470-S500 PolarHBondContact OD2-OG 2.87Å; D497-S500 WeakPolarHBondContact CB-OG 3.45Å; T498-S500 PolarHBondContact O-N 3.32Å; T498-S500 PolarHBondContact O-OG 3.09Å; S500-T525 PolarHBondContact N-OG1 3.18Å; S500-T525 PolarHBondContact O-N 3.01Å; S500-T525 PolarHBondContact O-OG1 3.49Å; S500-T525 VanDerWaalsContact O-OG1 3.12Å
501V90.1Very high90.9Very high30 Ų3039.9 Ų39.918%0.18221%0.213CC..EExtended strand (participates in β ladder)trans-113.2121.9174.7-177.20000108.9R468 T469 H522 L523 H524R468-V501 WeakPolarHBondContact CA-O 3.39Å; T469-V501 PolarHBondContact N-O 3.25Å; T469-V501 WeakPolarHBondContact OG1-CB 3.41Å; T469-V501 PolarHBondContact OG1-O 2.64Å; V501-H522 HydrophobicContact CG1-CB 4.48Å; V501-L523 WeakPolarHBondContact CA-O 3.17Å; V501-H524 VanDerWaalsContact CG2-CE1 3.43Å; V501-H524 WeakPolarHBondContact CG2-CE1 3.33Å; V501-H524 VanDerWaalsContact CG2-ND1 3.32Å; V501-H524 WeakPolarHBondContact CG2-ND1 3.47Å
502Y90.8Very high90.7Very high12 Ų1241.7 Ų41.75%0.04723%0.228CC..EExtended strand (participates in β ladder)trans-102.3133.8179-77.2-99.9000110.2I446 F466 R467 R468 P496 D497 H522 L523 T525I446-Y502 HydrophobicContact CD1-CD1 4.18Å; I446-Y502 HydrophobicContact CD1-CD2 3.85Å; I446-Y502 HydrophobicContact CD1-CE2 4.29Å; I446-Y502 HydrophobicContact CD1-CG 3.78Å; F466-Y502 HydrophobicContact CD2-CD1 4.08Å; F466-Y502 HydrophobicContact CD2-CE1 4.09Å; R467-Y502 CarbonylContact O-C 3.59Å; R467-Y502 WeakPolarHBondContact O-CA 3.48Å; R468-Y502 HydrophobicContact CG-CD1 4.16Å; R468-Y502 HydrophobicContact CG-CD2 4.43Å; R468-Y502 HydrophobicContact CG-CE1 3.72Å; R468-Y502 HydrophobicContact CG-CE2 4.02Å; R468-Y502 HydrophobicContact CG-CG 4.5Å; P496-Y502 HydrophobicContact CB-CE2 4.14Å; D497-Y502 PolarHBondContact N-OH 3.43Å; D497-Y502 PolarHBondContact OD2-OH 3.4Å; D497-Y502 VanDerWaalsContact OD2-OH 3.14Å; Y502-H522 CarbonylContact O-C 3.58Å; Y502-H522 VanDerWaalsContact O-CA 3.31Å; Y502-H522 WeakPolarHBondContact O-CA 3.34Å; Y502-L523 PolarHBondContact N-O 3.2Å; Y502-L523 PolarHBondContact O-N 3.49Å; Y502-T525 HydrophobicContact CD2-CG2 3.71Å; Y502-T525 HydrophobicContact CE2-CG2 3.73Å
503V93Very high90.7Very high3 Ų340.7 Ų40.72%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-100.2127.9165.7-179.40000107.7F466 R467 T469 W480 D520 V521 H522F466-V503 CarbonylContact C-O 3.58Å; F466-V503 WeakPolarHBondContact CA-O 3.32Å; R467-V503 HydrophobicContact CG-CB 4.25Å; R467-V503 PolarHBondContact N-O 3.32Å; R467-V503 PolarHBondContact O-N 2.98Å; T469-V503 HydrophobicContact CG2-CB 4.41Å; T469-V503 HydrophobicContact CG2-CG2 3.28Å; W480-V503 HydrophobicContact CH2-CB 4.28Å; W480-V503 HydrophobicContact CH2-CG1 3.65Å; W480-V503 HydrophobicContact CZ3-CB 4.45Å; W480-V503 HydrophobicContact CZ3-CG1 4.15Å; W480-V503 WeakPolarHBondContact CZ3-O 3.37Å; V503-D520 HydrophobicContact CG1-CB 3.72Å; V503-V521 CarbonylContact C-O 3.57Å; V503-V521 WeakPolarHBondContact CA-O 3.48Å; V503-H522 WeakPolarHBondContact CG2-NE2 3.45Å
504L94.6Very high90.8Very high0 Ų045.4 Ų45.40%025%0.246CC..EExtended strand (participates in β ladder)trans-125.2142-176.6-54.796.6000110.8I446 L448 E465 F466 L493 V521 L523I446-L504 HydrophobicContact CG2-CD2 4.03Å; L448-L504 HydrophobicContact CD1-CB 4.5Å; L448-L504 HydrophobicContact CD1-CD2 4.32Å; L448-L504 HydrophobicContact CD2-CD2 4.24Å; E465-L504 WeakPolarHBondContact O-CA 3.46Å; F466-L504 HydrophobicContact CB-CD2 4.32Å; F466-L504 HydrophobicContact CB-CG 4.13Å; L493-L504 HydrophobicContact CD1-CD2 3.51Å; L504-V521 PolarHBondContact N-O 3.44Å; L504-V521 PolarHBondContact O-N 2.96Å; L504-L523 HydrophobicContact CD1-CB 4Å; L504-L523 HydrophobicContact CD1-CD1 3.54Å; L504-L523 HydrophobicContact CD1-CG 3.75Å; L504-L523 HydrophobicContact CD2-CD1 4.38Å
505R95.6Very high91.1Very high52 Ų5240.6 Ų40.620%0.19623%0.226CC..EExtended strand (participates in β ladder)trans-145.7152.1173.664.4-176.4-172.4-179.83.6111.6E465 W480 Y517 S518E465-R505 HydrophobicContact CB-CG 3.85Å; E465-R505 PolarHBondContact N-O 3.38Å; E465-R505 PolarHBondContact O-N 2.88Å; E465-R505 IonicContact OE2-CZ 3.12Å; E465-R505 IonicContact OE2-NE 2.78Å; E465-R505 PolarHBondContact OE2-NE 3.03Å; E465-R505 IonicContact OE2-NH2 2.64Å; E465-R505 PolarHBondContact OE2-NH2 3.09Å; W480-R505 VanDerWaalsContact CE2-CZ 3.49Å; W480-R505 HydrophobicContact CE3-CG 4.42Å; W480-R505 HydrophobicContact CH2-CG 4.12Å; W480-R505 HydrophobicContact CZ3-CG 3.94Å; R505-Y517 HydrophobicContact CB-CD1 4.19Å; R505-Y517 HydrophobicContact CG-CD1 3.64Å; R505-Y517 HydrophobicContact CG-CE1 4.12Å; R505-Y517 HydrophobicContact CG-CG 4.33Å; R505-S518 WeakPolarHBondContact CA-OG 3.35Å
506V96.7Very high91.7Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-133140.6-176.6-172.10000110.2P433 I435 L448 W450 Y462 T463 V464 Y517 S518P433-V506 WeakPolarHBondContact CD-O 3.41Å; P433-V506 HydrophobicContact CG-CG1 4.35Å; I435-V506 HydrophobicContact CD1-CG2 4.24Å; I435-V506 HydrophobicContact CG1-CG2 4.26Å; L448-V506 HydrophobicContact CD2-CG2 3.5Å; L448-V506 HydrophobicContact CG-CG2 4.45Å; W450-V506 HydrophobicContact CD2-CB 4.49Å; W450-V506 HydrophobicContact CD2-CG1 3.96Å; W450-V506 HydrophobicContact CD2-CG2 4.23Å; W450-V506 HydrophobicContact CE3-CG1 4.38Å; W450-V506 HydrophobicContact CE3-CG2 3.94Å; W450-V506 HydrophobicContact CG-CG1 4.37Å; W450-V506 HydrophobicContact CH2-CG1 4.43Å; W450-V506 HydrophobicContact CZ2-CG1 4.04Å; W450-V506 HydrophobicContact CZ3-CG2 4.21Å; Y462-V506 HydrophobicContact CD1-CG1 3.98Å; Y462-V506 HydrophobicContact CG-CG1 4.31Å; T463-V506 WeakPolarHBondContact O-CA 3.33Å; V464-V506 HydrophobicContact CG1-CG2 4.39Å; V464-V506 HydrophobicContact CG2-CG1 4.23Å; V464-V506 HydrophobicContact CG2-CG2 4.06Å; V506-Y517 CarbonylContact O-C 3.57Å; V506-Y517 WeakPolarHBondContact O-CA 3.43Å; V506-S518 PolarHBondContact N-OG 2.87Å; V506-S518 WeakPolarHBondContact O-CB 3.38Å; V506-S518 PolarHBondContact O-N 3.3Å
507R96.1Very high92.2Very high40 Ų4042.8 Ų42.815%0.15123%0.228CC..EExtended strand (participates in β ladder)trans-128.9148.3169.163.8174.8-178.1-173.13.6111.7Y462 T463 E516 Y517Y462-R507 CarbonylContact C-O 3.56Å; Y462-R507 VanDerWaalsContact CA-O 3.27Å; Y462-R507 WeakPolarHBondContact CA-O 3.49Å; T463-R507 PolarHBondContact N-O 2.9Å; T463-R507 PolarHBondContact O-N 3.4Å; R507-E516 VanDerWaalsContact CB-O 3.29Å; R507-E516 WeakPolarHBondContact CB-O 3.22Å; R507-Y517 HydrophobicContact CB-CD1 3.85Å; R507-Y517 HydrophobicContact CB-CE1 4.16Å; R507-Y517 HydrophobicContact CB-CG 4.12Å; R507-Y517 VanDerWaalsContact CD-CZ 3.46Å; R507-Y517 HydrophobicContact CG-CD1 3.94Å; R507-Y517 HydrophobicContact CG-CE1 3.71Å; R507-Y517 HydrophobicContact CG-CG 4.5Å; R507-Y517 PolarHBondContact NE-OH 3.46Å; R507-Y517 PolarHBondContact NH1-OH 3.35Å
508G95.7Very high92.6Very high0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-89.9153.6174.400000112.3G515G508-G515 PolarHBondContact O-N 3.05Å
509C94.1Very high93Very high10 Ų1044.7 Ų44.77%0.06823%0.23CC..EExtended strand (participates in β ladder)trans-133.8140.6173.7-176.70000110.4A459 W460 H461 G513 Y514A459-C509 CarbonylContact C-O 3.48Å; W460-C509 PolarHBondContact N-O 3.28Å; H461-C509 WeakPolarHBondContact CE1-CB 3.4Å; H461-C509 PolarHBondContact N-O 3.16Å; H461-C509 PolarHBondContact NE2-SG 3.16Å; H461-C509 VanDerWaalsContact NE2-SG 3.41Å; H461-C509 PolarHBondContact O-N 3.39Å; C509-G513 WeakPolarHBondContact CA-O 3.47Å; C509-Y514 HydrophobicContact CB-CD1 3.76Å; C509-Y514 HydrophobicContact CB-CE1 3.82Å; C509-Y514 HydrophobicContact CB-CG 4.46Å
510N92.8Very high93.4Very high10 Ų1045.8 Ų45.85%0.05322%0.224CC..EExtended strand (participates in β ladder)trans-139.7-169.3167.770.115.8000109.7R428 P430 P458 W460 A512 G513R428-N510 PolarHBondContact O-ND2 3.09Å; P430-N510 HydrophobicContact CG-CB 4.05Å; P458-N510 PolarHBondContact O-ND2 2.99Å; W460-N510 HydrophobicContact CD2-CB 4.16Å; W460-N510 HydrophobicContact CG-CB 4.15Å; N510-A512 PolarHBondContact O-N 3.32Å; N510-A512 VanDerWaalsContact O-N 3.12Å; N510-A512 WeakPolarHBondContact OD1-CA 3.39Å; N510-A512 VanDerWaalsContact OD1-CB 3.28Å; N510-A512 WeakPolarHBondContact OD1-CB 3.46Å; N510-A512 PolarHBondContact OD1-N 3.23Å; N510-G513 PolarHBondContact N-O 3.4Å; N510-G513 VanDerWaalsContact N-O 3.07Å; N510-G513 PolarHBondContact O-N 3.32Å
511K88.1Confident93.6Very high152 Ų15246.7 Ų46.766%0.66123%0.23SC*.THydrogen-bonded Turntrans-56.5-28.9179.6-143.2-178.6174.7175.90114.6L427 W460 G513L427-K511 HydrophobicContact CD1-CB 3.51Å; L427-K511 HydrophobicContact CD1-CD 3.9Å; L427-K511 HydrophobicContact CD1-CG 4.26Å; W460-K511 HydrophobicContact CH2-CB 3.31Å; W460-K511 HydrophobicContact CH2-CD 3.92Å; W460-K511 HydrophobicContact CH2-CG 3.58Å; W460-K511 HydrophobicContact CZ2-CB 3.82Å; W460-K511 HydrophobicContact CZ2-CG 4.48Å; W460-K511 HydrophobicContact CZ3-CB 3.76Å; W460-K511 HydrophobicContact CZ3-CG 3.97Å; K511-G513 PolarHBondContact O-N 3.45Å
512A88Confident93.6Very high45 Ų4550.5 Ų50.537%0.37225%0.245SC..THydrogen-bonded Turntrans-74.4-14.8178.300000112.2L427 V429 N510L427-A512 HydrophobicContact CB-CB 3.89Å; V429-A512 HydrophobicContact CG1-CB 3.86Å; N510-A512 PolarHBondContact O-N 3.32Å; N510-A512 VanDerWaalsContact O-N 3.12Å; N510-A512 WeakPolarHBondContact OD1-CA 3.39Å; N510-A512 VanDerWaalsContact OD1-CB 3.28Å; N510-A512 WeakPolarHBondContact OD1-CB 3.46Å; N510-A512 PolarHBondContact OD1-N 3.23Å
513G91.9Very high93.6Very high23 Ų2351 Ų5124%0.23725%0.249CC..EExtended strand (participates in β ladder)trans121.4-159.1178.600000113.1C509 N510 K511C509-G513 WeakPolarHBondContact CA-O 3.47Å; N510-G513 PolarHBondContact N-O 3.4Å; N510-G513 VanDerWaalsContact N-O 3.07Å; N510-G513 PolarHBondContact O-N 3.32Å; K511-G513 PolarHBondContact O-N 3.45Å
514Y93.2Very high93.4Very high110 Ų11055.2 Ų55.243%0.43127%0.268SS..EExtended strand (participates in β ladder)trans-85131.3-179.7-68.1-84.3000111.1C509C509-Y514 HydrophobicContact CB-CD1 3.76Å; C509-Y514 HydrophobicContact CB-CE1 3.82Å; C509-Y514 HydrophobicContact CB-CG 4.46Å
515G93.3Very high93.2Very high9 Ų955.5 Ų55.59%0.09327%0.27CS..EExtended strand (participates in β ladder)trans-75.8-179.1166.900000112.8P430 G508P430-G515 WeakPolarHBondContact O-CA 3.41Å; G508-G515 PolarHBondContact O-N 3.05Å
516E95.4Very high92.9Very high151 Ų15153.2 Ų53.271%0.70626%0.262SS*.EExtended strand (participates in β ladder)trans-70.1159.2173.7-63.7-173.4159.900111.9A432 R507A432-E516 HydrophobicContact CB-CB 4.19Å; R507-E516 VanDerWaalsContact CB-O 3.29Å; R507-E516 WeakPolarHBondContact CB-O 3.22Å
517Y96.1Very high92.6Very high56 Ų5655.3 Ų55.322%0.2228%0.276CS..EExtended strand (participates in β ladder)trans-77.4149.2172.7-72.6-86.9000110.7E465 R505 V506 R507E465-Y517 HydrophobicContact CB-CE1 4.42Å; E465-Y517 HydrophobicContact CG-CE1 4.07Å; E465-Y517 PolarHBondContact OE1-OH 2.81Å; E465-Y517 PolarHBondContact OE2-OH 3.46Å; R505-Y517 HydrophobicContact CB-CD1 4.19Å; R505-Y517 HydrophobicContact CG-CD1 3.64Å; R505-Y517 HydrophobicContact CG-CE1 4.12Å; R505-Y517 HydrophobicContact CG-CG 4.33Å; V506-Y517 CarbonylContact O-C 3.57Å; V506-Y517 WeakPolarHBondContact O-CA 3.43Å; R507-Y517 HydrophobicContact CB-CD1 3.85Å; R507-Y517 HydrophobicContact CB-CE1 4.16Å; R507-Y517 HydrophobicContact CB-CG 4.12Å; R507-Y517 VanDerWaalsContact CD-CZ 3.46Å; R507-Y517 HydrophobicContact CG-CD1 3.94Å; R507-Y517 HydrophobicContact CG-CE1 3.71Å; R507-Y517 HydrophobicContact CG-CG 4.5Å; R507-Y517 PolarHBondContact NE-OH 3.46Å; R507-Y517 PolarHBondContact NH1-OH 3.35Å
518S96.6Very high92.4Very high8 Ų853.5 Ų53.56%0.05627%0.269CS..PPolyproline II helixtrans-57.5164.3165.771.10000111.5P433 I435 R505 V506P433-S518 WeakPolarHBondContact O-CA 3.3Å; P433-S518 WeakPolarHBondContact O-CB 3.49Å; I435-S518 VanDerWaalsContact CD1-OG 3.32Å; I435-S518 WeakPolarHBondContact CD1-OG 3.28Å; R505-S518 WeakPolarHBondContact CA-OG 3.35Å; V506-S518 PolarHBondContact N-OG 2.87Å; V506-S518 WeakPolarHBondContact O-CB 3.38Å; V506-S518 PolarHBondContact O-N 3.3Å
519E95.1Very high92.2Very high176 Ų17657 Ų5782%0.82229%0.292SS*.PPolyproline II helixtrans-57.1147.3162.8-64.6-173.1165.700111V521E519-V521 PolarHBondContact O-N 3.31Å
520D94.4Very high92Very high71 Ų7157.9 Ų57.938%0.3830%0.297SS..PPolyproline II helixtrans-73.6119.3-179.3-81.33.3000110.1V503V503-D520 HydrophobicContact CG1-CB 3.72Å
521V93.1Very high91.9Very high22 Ų2258.6 Ų58.613%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-101.5133.8175.9174.30000110.2I435 T437 V503 L504 E519 L523I435-V521 HydrophobicContact CB-CG2 3.84Å; I435-V521 HydrophobicContact CD1-CB 4.13Å; I435-V521 HydrophobicContact CD1-CG2 3.77Å; I435-V521 HydrophobicContact CG1-CG2 4.4Å; I435-V521 HydrophobicContact CG2-CB 4.38Å; I435-V521 HydrophobicContact CG2-CG2 3.82Å; T437-V521 HydrophobicContact CG2-CG2 4.29Å; V503-V521 CarbonylContact C-O 3.57Å; V503-V521 WeakPolarHBondContact CA-O 3.48Å; L504-V521 PolarHBondContact N-O 3.44Å; L504-V521 PolarHBondContact O-N 2.96Å; E519-V521 PolarHBondContact O-N 3.31Å; V521-L523 HydrophobicContact CG1-CD2 4.18Å; V521-L523 HydrophobicContact CG1-CG 4.22Å
522H91.3Very high92Very high110 Ų11054.5 Ų54.551%0.50928%0.283SS..EExtended strand (participates in β ladder)trans-102123.8179.1-62.466000109.6V501 Y502 V503V501-H522 HydrophobicContact CG1-CB 4.48Å; Y502-H522 CarbonylContact O-C 3.58Å; Y502-H522 VanDerWaalsContact O-CA 3.31Å; Y502-H522 WeakPolarHBondContact O-CA 3.34Å; V503-H522 WeakPolarHBondContact CG2-NE2 3.45Å
523L89.5Confident92.1Very high22 Ų2252.9 Ų52.912%0.11527%0.268CS..EExtended strand (participates in β ladder)trans-123133.1178.1-64.5175.9000110.6T440 I446 V501 Y502 L504 V521T440-L523 HydrophobicContact CG2-CD1 3.46Å; T440-L523 VanDerWaalsContact CG2-CD1 3.46Å; T440-L523 HydrophobicContact CG2-CD2 4.03Å; T440-L523 HydrophobicContact CG2-CG 4.27Å; I446-L523 HydrophobicContact CG2-CD1 3.52Å; V501-L523 WeakPolarHBondContact CA-O 3.17Å; Y502-L523 PolarHBondContact N-O 3.2Å; Y502-L523 PolarHBondContact O-N 3.49Å; L504-L523 HydrophobicContact CD1-CB 4Å; L504-L523 HydrophobicContact CD1-CD1 3.54Å; L504-L523 HydrophobicContact CD1-CG 3.75Å; L504-L523 HydrophobicContact CD2-CD1 4.38Å; V521-L523 HydrophobicContact CG1-CD2 4.18Å; V521-L523 HydrophobicContact CG1-CG 4.22Å
524H89.2Confident92Very high93 Ų9353.2 Ų53.243%0.43126%0.263SS..EExtended strand (participates in β ladder)trans-93.1129.8174.4-66.8-95.4000109.5A442 V501 F710A442-H524 WeakPolarHBondContact CB-O 3.41Å; V501-H524 VanDerWaalsContact CG2-CE1 3.43Å; V501-H524 WeakPolarHBondContact CG2-CE1 3.33Å; V501-H524 VanDerWaalsContact CG2-ND1 3.32Å; V501-H524 WeakPolarHBondContact CG2-ND1 3.47Å; H524-F710 HydrophobicContact CB-CD2 3.43Å; H524-F710 VanDerWaalsContact CB-CD2 3.43Å; H524-F710 HydrophobicContact CB-CE2 3.63Å; H524-F710 HydrophobicContact CB-CG 4.48Å; H524-F710 VanDerWaalsContact O-CE2 3.31Å; H524-F710 WeakPolarHBondContact O-CE2 3.38Å
525T90.4Very high91.8Very high5 Ų548 Ų483%0.03124%0.243CC..PPolyproline II helixtrans-88154.9172.2610000110.3A442 I446 P496 D497 G499 S500 Y502A442-T525 HydrophobicContact CB-CG2 4.33Å; I446-T525 HydrophobicContact CD1-CG2 4.22Å; I446-T525 HydrophobicContact CG1-CG2 4.49Å; P496-T525 HydrophobicContact CB-CG2 3.82Å; P496-T525 HydrophobicContact CG-CG2 4.46Å; D497-T525 WeakPolarHBondContact O-CB 3.4Å; D497-T525 PolarHBondContact O-OG1 2.9Å; G499-T525 PolarHBondContact N-OG1 3.44Å; S500-T525 PolarHBondContact N-OG1 3.18Å; S500-T525 PolarHBondContact O-N 3.01Å; S500-T525 PolarHBondContact O-OG1 3.49Å; S500-T525 VanDerWaalsContact O-OG1 3.12Å; Y502-T525 HydrophobicContact CD2-CG2 3.71Å; Y502-T525 HydrophobicContact CE2-CG2 3.73Å
526P90.8Very high91.2Very high4 Ų448 Ų483%0.02624%0.241CC..PPolyproline II helixtrans-53.2143.9177.9-30.738.3000114.1Y443 T498 G499 A528 V530 Y593 F710Y443-P526 HydrophobicContact CD2-CG 4.35Å; Y443-P526 WeakPolarHBondContact O-CD 3.43Å; Y443-P526 VanDerWaalsContact O-CG 3.27Å; Y443-P526 WeakPolarHBondContact O-CG 3.32Å; T498-P526 CarbonylContact C-O 3.58Å; T498-P526 WeakPolarHBondContact CA-O 3.33Å; G499-P526 PolarHBondContact N-O 2.89Å; P526-A528 PolarHBondContact O-N 2.79Å; P526-A528 VanDerWaalsContact O-N 3.15Å; P526-V530 HydrophobicContact CB-CG2 4.48Å; P526-V530 HydrophobicContact CG-CG2 4.17Å; P526-Y593 HydrophobicContact CB-CD1 3.5Å; P526-Y593 HydrophobicContact CB-CE1 3.74Å; P526-Y593 HydrophobicContact CB-CG 4.01Å; P526-Y593 HydrophobicContact CG-CD1 4Å; P526-Y593 HydrophobicContact CG-CE1 3.9Å; P526-F710 HydrophobicContact CB-CE1 4.38Å; P526-F710 HydrophobicContact CG-CZ 4.31Å
527P90.3Very high89.9Confident45 Ų4542.2 Ų42.229%0.29222%0.222SC..SBendtrans-69.3-12-174.928.6-36.5000114.3Y593 C694P527-Y593 HydrophobicContact CG-CD2 4.14Å; P527-Y593 HydrophobicContact CG-CE2 4.48Å; P527-C694 HydrophobicContact CG-CB 4.46Å
528A90.8Very high88.6Confident2 Ų247 Ų472%0.01724%0.239CC..SBendtrans-146.7163.5176.900000110.1P526 V530 R591P526-A528 PolarHBondContact O-N 2.79Å; P526-A528 VanDerWaalsContact O-N 3.15Å; A528-V530 PolarHBondContact O-N 2.76Å; A528-R591 HydrophobicContact CB-CB 3.64Å
529P90.9Very high86.8Confident74 Ų7448.5 Ų48.548%0.48124%0.244SC..PPolyproline II helixtrans-54.2138.3175.5-26.735.3000112.5T498 L531 Y593T498-P529 HydrophobicContact CG2-CG 4.25Å; P529-L531 PolarHBondContact O-N 3.21Å; P529-Y593 PolarHBondContact O-N 3.08Å
530V90.9Very high84.9Confident27 Ų2740.7 Ų40.716%0.16421%0.21CC..BIsolated β-bridgetrans-70.1124.1-179.7176.10000110.4Y443 D444 P526 A528 Y593Y443-V530 HydrophobicContact CD1-CG1 4.17Å; Y443-V530 HydrophobicContact CD1-CG2 4.43Å; Y443-V530 HydrophobicContact CD2-CG2 4.11Å; Y443-V530 HydrophobicContact CE1-CG1 3.48Å; Y443-V530 VanDerWaalsContact CE1-CG1 3.48Å; Y443-V530 HydrophobicContact CE1-CG2 4.4Å; Y443-V530 HydrophobicContact CE2-CG1 4.1Å; Y443-V530 HydrophobicContact CE2-CG2 4.06Å; Y443-V530 HydrophobicContact CG-CG2 4.29Å; Y443-V530 VanDerWaalsContact CZ-CG1 3.43Å; D444-V530 HydrophobicContact CB-CB 4.39Å; D444-V530 HydrophobicContact CB-CG2 4.35Å; P526-V530 HydrophobicContact CB-CG2 4.48Å; P526-V530 HydrophobicContact CG-CG2 4.17Å; A528-V530 PolarHBondContact O-N 2.76Å; V530-Y593 CarbonylContact C-O 3.52Å; V530-Y593 VanDerWaalsContact CA-O 3.24Å; V530-Y593 WeakPolarHBondContact CA-O 3.31Å; V530-Y593 HydrophobicContact CG2-CD1 4.35Å
531L90.8Very high82.9Confident25 Ų2540.1 Ų40.113%0.13122%0.216CC..PPolyproline II helixtrans-84.1118.1171.6-175.570.7000109.3P529 F533 V585 V587 Y593 W594 P726P529-L531 PolarHBondContact O-N 3.21Å; L531-F533 HydrophobicContact CD2-CD1 3.93Å; L531-F533 HydrophobicContact CD2-CE1 4.36Å; L531-F533 HydrophobicContact CG-CD1 4.02Å; L531-V585 HydrophobicContact CD1-CG1 3.94Å; L531-V587 HydrophobicContact CD1-CG2 4.13Å; L531-V587 HydrophobicContact CD2-CG2 3.66Å; L531-Y593 PolarHBondContact N-O 3.41Å; L531-W594 HydrophobicContact CB-CE3 4.15Å; L531-W594 HydrophobicContact CD2-CE3 3.94Å; L531-W594 HydrophobicContact CD2-CZ3 4.03Å; L531-P726 HydrophobicContact CD2-CG 3.94Å
532H89.2Confident81.1Confident66 Ų6641.4 Ų41.431%0.30623%0.226SC..PPolyproline II helixtrans-95.6120.7172.7-62.9-68000110.2P746H532-P746 HydrophobicContact CB-CB 3.93Å; H532-P746 HydrophobicContact CB-CG 3.8Å
533F90.8Very high79.6Confident11 Ų1148 Ų485%0.04825%0.246CC..  trans-146.7166.3175.665.8-90000109.8L531 L535 G583 D584 V585 W594 P726 F728 L738L531-F533 HydrophobicContact CD2-CD1 3.93Å; L531-F533 HydrophobicContact CD2-CE1 4.36Å; L531-F533 HydrophobicContact CG-CD1 4.02Å; F533-L535 HydrophobicContact CE2-CD2 4.2Å; F533-G583 VanDerWaalsContact CD2-CA 3.41Å; F533-D584 WeakPolarHBondContact CA-OD1 3.46Å; F533-V585 HydrophobicContact CB-CB 3.92Å; F533-V585 HydrophobicContact CB-CG2 3.86Å; F533-W594 HydrophobicContact CE1-CB 3.91Å; F533-W594 AromaticContact CE1-CD1 3.72Å; F533-W594 AromaticContact CE1-CD2 3.92Å; F533-W594 HydrophobicContact CE1-CD2 3.92Å; F533-W594 AromaticContact CE1-CG 3.58Å; F533-W594 HydrophobicContact CE1-CG 3.58Å; F533-W594 AromaticContact CZ-CD1 3.73Å; F533-W594 HydrophobicContact CZ-CD2 4.5Å; F533-W594 HydrophobicContact CZ-CG 4.08Å; F533-W594 AromaticContact CZ-NE1 3.95Å; F533-P726 HydrophobicContact CD1-CG 3.95Å; F533-P726 HydrophobicContact CD2-CG 4.43Å; F533-P726 HydrophobicContact CE1-CB 4.01Å; F533-P726 HydrophobicContact CE1-CG 3.71Å; F533-P726 HydrophobicContact CE2-CB 3.91Å; F533-P726 HydrophobicContact CE2-CG 4.22Å; F533-P726 HydrophobicContact CG-CG 4.3Å; F533-P726 HydrophobicContact CZ-CB 3.62Å; F533-P726 HydrophobicContact CZ-CG 3.86Å; F533-F728 AromaticContact CE2-CE2 3.9Å; F533-F728 HydrophobicContact CE2-CE2 3.9Å; F533-F728 HydrophobicContact CE2-CZ 4.23Å; F533-F728 HydrophobicContact CZ-CE2 4.13Å; F533-F728 HydrophobicContact CZ-CZ 4.05Å; F533-L738 HydrophobicContact CD2-CD1 4.04Å; F533-L738 HydrophobicContact CE2-CD1 3.58Å; F533-L738 HydrophobicContact CE2-CD2 4.04Å; F533-L738 HydrophobicContact CE2-CG 4.48Å; F533-L738 HydrophobicContact CZ-CD1 4.02Å; F533-L738 HydrophobicContact CZ-CD2 3.84Å
534F89.9Confident78.4Confident30 Ų3054.8 Ų54.813%0.13228%0.277CS..  trans-117.2152.3175-62-91.7000110.1D551 Q552 R553 G583 D584 R748F534-D551 WeakPolarHBondContact CD1-O 3.39Å; F534-Q552 HydrophobicContact CB-CB 3.87Å; F534-Q552 HydrophobicContact CD1-CB 4Å; F534-Q552 HydrophobicContact CG-CB 4.39Å; F534-R553 HydrophobicContact CD1-CG 4.43Å; F534-G583 CarbonylContact O-C 3.55Å; F534-G583 WeakPolarHBondContact O-CA 3.49Å; F534-D584 PolarHBondContact N-OD1 2.89Å; F534-D584 PolarHBondContact O-N 2.87Å; F534-R748 HydrophobicContact CD2-CB 4.11Å; F534-R748 HydrophobicContact CD2-CG 3.7Å; F534-R748 HydrophobicContact CE2-CB 3.74Å; F534-R748 HydrophobicContact CE2-CG 3.89Å
535L88.8Confident77.6Confident1 Ų152.9 Ų52.91%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-77.9126.3178.7-62174.4000110F533 I548 Q552 V555 V581 F728 L738F533-L535 HydrophobicContact CE2-CD2 4.2Å; L535-I548 HydrophobicContact CB-CG2 4.32Å; L535-Q552 WeakPolarHBondContact CB-O 3.28Å; L535-Q552 PolarHBondContact N-O 3.33Å; L535-V555 HydrophobicContact CD1-CB 3.94Å; L535-V555 HydrophobicContact CD1-CG1 3.78Å; L535-V581 HydrophobicContact CB-CG1 3.85Å; L535-V581 HydrophobicContact CD2-CG1 4.07Å; L535-V581 HydrophobicContact CG-CG1 4.47Å; L535-F728 HydrophobicContact CD2-CD2 3.74Å; L535-F728 HydrophobicContact CD2-CE2 3.58Å; L535-F728 HydrophobicContact CD2-CZ 4.36Å; L535-L738 HydrophobicContact CD1-CD1 4.41Å; L535-L738 HydrophobicContact CD1-CG 4.35Å; L535-L738 HydrophobicContact CD2-CD1 3.98Å; L535-L738 HydrophobicContact CD2-CD2 4.44Å; L535-L738 HydrophobicContact CD2-CG 4.31Å; L535-L738 HydrophobicContact CG-CD1 3.85Å; L535-L738 HydrophobicContact CG-CG 4.27Å
536D81.3Confident77.3Confident9 Ų953.5 Ų53.55%0.04827%0.269CS..EExtended strand (participates in β ladder)trans-118.3124.3175.7-159.1-47.8000111.7R538 L582 R748 F755D536-R538 WeakPolarHBondContact OD1-CB 3.34Å; D536-R538 WeakPolarHBondContact OD1-CG 3.46Å; D536-R538 PolarHBondContact OD1-N 2.99Å; D536-R538 IonicContact OD1-NE 2.68Å; D536-R538 PolarHBondContact OD1-NE 3.5Å; D536-R538 IonicContact OD2-CZ 3.42Å; D536-R538 VanDerWaalsContact OD2-CZ 3.28Å; D536-R538 IonicContact OD2-NE 3.29Å; D536-R538 PolarHBondContact OD2-NE 2.8Å; D536-R538 IonicContact OD2-NH2 3.28Å; D536-R538 PolarHBondContact OD2-NH2 3.31Å; D536-L582 PolarHBondContact N-O 2.95Å; D536-L582 PolarHBondContact O-N 3.45Å; D536-R748 IonicContact OD2-NH2 2.69Å; D536-F755 HydrophobicContact CB-CE1 4.2Å; D536-F755 HydrophobicContact CB-CZ 3.73Å; D536-F755 WeakPolarHBondContact OD2-CE1 3.38Å; D536-F755 VanDerWaalsContact OD2-CZ 3.22Å; D536-F755 WeakPolarHBondContact OD2-CZ 3.29Å
537G68.3Low77.1Confident30 Ų3056 Ų5631%0.30929%0.29SS..  trans-94.46.6-179.500000114.7W539G537-W539 PolarHBondContact O-N 2.74Å
538R68.5Low77Confident157 Ų15756.4 Ų56.459%0.59229%0.289SS*.THydrogen-bonded Turntrans-69-10.8-178.8-74.3-177.9-91.1-161.2-1.8114.3D536D536-R538 WeakPolarHBondContact OD1-CB 3.34Å; D536-R538 WeakPolarHBondContact OD1-CG 3.46Å; D536-R538 PolarHBondContact OD1-N 2.99Å; D536-R538 IonicContact OD1-NE 2.68Å; D536-R538 PolarHBondContact OD1-NE 3.5Å; D536-R538 IonicContact OD2-CZ 3.42Å; D536-R538 VanDerWaalsContact OD2-CZ 3.28Å; D536-R538 IonicContact OD2-NE 3.29Å; D536-R538 PolarHBondContact OD2-NE 2.8Å; D536-R538 IonicContact OD2-NH2 3.28Å; D536-R538 PolarHBondContact OD2-NH2 3.31Å
539W59.8Low76.9Confident39 Ų3958 Ų5815%0.14830%0.3CS..THydrogen-bonded Turntrans-108.66.9-166.3-66.688.3000115.8G537 L582 Q616 I752 F755G537-W539 PolarHBondContact O-N 2.74Å; W539-L582 HydrophobicContact CB-CD1 4.1Å; W539-L582 HydrophobicContact CB-CG 4.45Å; W539-L582 HydrophobicContact CG-CD1 4.24Å; W539-Q616 HydrophobicContact CE3-CG 3.84Å; W539-Q616 HydrophobicContact CH2-CG 4.45Å; W539-Q616 VanDerWaalsContact CH2-NE2 3.27Å; W539-Q616 HydrophobicContact CZ3-CG 3.52Å; W539-I752 HydrophobicContact CZ2-CG2 4.33Å; W539-F755 HydrophobicContact CZ2-CD2 4.36Å; W539-F755 HydrophobicContact CZ2-CE2 4.41Å; W539-F755 AromaticContact NE1-CE2 3.36Å; W539-F755 AromaticContact NE1-CZ 3.85Å
540G54Low76.6Confident11 Ų1165 Ų6511%0.11332%0.323CS..SBendtrans-175.766.7-17500000118.4
541A53Low76.4Confident60 Ų6067 Ų6750%0.49633%0.333SS..SBendtrans84.9155.3159.800000120.2
542S56Low76.3Confident49 Ų4968.7 Ų68.734%0.34334%0.34SS..  trans-6.3119.3-170.3-169.10000119.1E544 R545 L546S542-E544 PolarHBondContact O-N 2.93Å; S542-E544 WeakPolarHBondContact OG-CB 3.47Å; S542-E544 PolarHBondContact OG-N 3.45Å; S542-E544 VanDerWaalsContact OG-N 3.14Å; S542-R545 PolarHBondContact O-N 3.21Å; S542-L546 PolarHBondContact O-N 3.28Å
543R59.7Low76.3Confident249 Ų24966.7 Ų66.794%0.9433%0.33SS*.THydrogen-bonded Turntrans-51.8-17.1165.2-84.8-179.3144.4162.4-4114
544E62.6Low76.3Confident163 Ų16367 Ų6776%0.76234%0.335SS*.THydrogen-bonded Turntrans-81.7-20.4178.7-56.2179164.400113.2S542S542-E544 PolarHBondContact O-N 2.93Å; S542-E544 WeakPolarHBondContact OG-CB 3.47Å; S542-E544 PolarHBondContact OG-N 3.45Å; S542-E544 VanDerWaalsContact OG-N 3.14Å
545R73.8Confident76.4Confident53 Ų5365.8 Ų65.820%0.233%0.329CS..THydrogen-bonded Turntrans-105.8-40.4-176.8-61.9-163.6-57.5-141.8-2.8113.7S542 S557 V558 S577 D579S542-R545 PolarHBondContact O-N 3.21Å; R545-S557 CarbonylContact O-C 3.55Å; R545-S557 WeakPolarHBondContact O-CA 3.5Å; R545-V558 PolarHBondContact O-N 3.27Å; R545-S577 VanDerWaalsContact CZ-OG 3.32Å; R545-S577 PolarHBondContact NH1-OG 3.14Å; R545-D579 IonicContact CZ-OD1 3.98Å; R545-D579 VanDerWaalsContact CZ-OD1 3.29Å; R545-D579 IonicContact NE-OD1 3.19Å; R545-D579 PolarHBondContact NE-OD1 3.5Å; R545-D579 IonicContact NE-OD2 3.33Å; R545-D579 PolarHBondContact NE-OD2 3.4Å; R545-D579 IonicContact NH2-OD1 2.89Å; R545-D579 PolarHBondContact NH2-OD1 2.91Å
546L83.1Confident76.4Confident18 Ų1872.4 Ų72.49%0.09436%0.355CS..EExtended strand (participates in β ladder)trans-98.6116.6179.1-75.7175.4000111.3S542 V555 D579 V581 F730S542-L546 PolarHBondContact O-N 3.28Å; L546-V555 HydrophobicContact CD2-CG2 3.92Å; L546-D579 HydrophobicContact CD1-CB 3.75Å; L546-D579 HydrophobicContact CD2-CB 3.88Å; L546-D579 HydrophobicContact CG-CB 3.78Å; L546-V581 HydrophobicContact CD1-CG2 3.62Å; L546-V581 HydrophobicContact CD2-CG2 4.17Å; L546-V581 HydrophobicContact CG-CG2 4.47Å; L546-F730 HydrophobicContact CD2-CD2 3.97Å; L546-F730 HydrophobicContact CD2-CG 4.42Å
547A86.5Confident76.7Confident58 Ų5872.2 Ų72.248%0.47935%0.354SS..EExtended strand (participates in β ladder)trans-106.6109.7172.900000110.2V555 R556A547-V555 WeakPolarHBondContact O-CA 3.47Å; A547-R556 PolarHBondContact N-O 3.35Å; A547-R556 PolarHBondContact O-N 2.88Å
548I87.9Confident77.3Confident53 Ų5374.1 Ų74.127%0.27236%0.359SS..EExtended strand (participates in β ladder)trans-92.8137.2172-61176000108.8L535 Q552 A554 V555 V581L535-I548 HydrophobicContact CB-CG2 4.32Å; I548-Q552 HydrophobicContact CG2-CB 4.28Å; I548-Q552 HydrophobicContact CG2-CG 4.26Å; I548-A554 CarbonylContact C-O 3.55Å; I548-A554 WeakPolarHBondContact CA-O 3.33Å; I548-V555 HydrophobicContact CG1-CB 4.26Å; I548-V555 HydrophobicContact CG1-CG2 4.1Å; I548-V581 HydrophobicContact CD1-CG1 4.2Å
549S89.4Confident77.2Confident35 Ų3569.3 Ų69.325%0.24535%0.348CS..  trans-64.2159.6178.460.50000112.5D551 Q552 R553 A554S549-D551 WeakPolarHBondContact CB-OD1 3.34Å; S549-D551 PolarHBondContact O-N 2.99Å; S549-D551 PolarHBondContact OG-OD1 2.95Å; S549-Q552 WeakPolarHBondContact O-CA 3.45Å; S549-Q552 PolarHBondContact O-N 3.25Å; S549-R553 PolarHBondContact OG-N 2.85Å; S549-A554 PolarHBondContact N-O 3.33Å; S549-A554 WeakPolarHBondContact OG-CB 3.35Å; S549-A554 PolarHBondContact OG-N 3.31Å; S549-A554 PolarHBondContact OG-O 2.98Å
550K84.9Confident77.5Confident221 Ų22167.9 Ų67.996%0.96135%0.346SS*.THydrogen-bonded Turntrans-59-30.5-179.4-68.7-174.8179-179.10113.4Q552K550-Q552 VanDerWaalsContact C-N 3.33Å
551D85.6Confident78.1Confident70 Ų7073 Ų7337%0.37437%0.37SS..THydrogen-bonded Turntrans-89.23.717767.8-26.1000113.4F534 S549 R553F534-D551 WeakPolarHBondContact CD1-O 3.39Å; S549-D551 WeakPolarHBondContact CB-OD1 3.34Å; S549-D551 PolarHBondContact O-N 2.99Å; S549-D551 PolarHBondContact OG-OD1 2.95Å; D551-R553 WeakPolarHBondContact O-CG 3.44Å; D551-R553 PolarHBondContact O-N 3.45Å; D551-R553 WeakPolarHBondContact OD2-CD 3.39Å
552Q88.6Confident78.7Confident60 Ų6074.3 Ų74.328%0.2837%0.373SS..SBendtrans55.632.1177.3-60.5174.72.500114.2F534 L535 I548 S549 K550 R748F534-Q552 HydrophobicContact CB-CB 3.87Å; F534-Q552 HydrophobicContact CD1-CB 4Å; F534-Q552 HydrophobicContact CG-CB 4.39Å; L535-Q552 WeakPolarHBondContact CB-O 3.28Å; L535-Q552 PolarHBondContact N-O 3.33Å; I548-Q552 HydrophobicContact CG2-CB 4.28Å; I548-Q552 HydrophobicContact CG2-CG 4.26Å; S549-Q552 WeakPolarHBondContact O-CA 3.45Å; S549-Q552 PolarHBondContact O-N 3.25Å; K550-Q552 VanDerWaalsContact C-N 3.33Å; Q552-R748 VanDerWaalsContact OE1-CZ 3.27Å
553R89.1Confident79.3Confident24 Ų2473.7 Ų73.79%0.09137%0.366CS..SBendtrans-117.3-11.5-179.2-73.6163.6173.2-94.7-1.1113.6F534 S549 D551 L738F534-R553 HydrophobicContact CD1-CG 4.43Å; S549-R553 PolarHBondContact OG-N 2.85Å; D551-R553 WeakPolarHBondContact O-CG 3.44Å; D551-R553 PolarHBondContact O-N 3.45Å; D551-R553 WeakPolarHBondContact OD2-CD 3.39Å; R553-L738 HydrophobicContact CB-CB 4.42Å; R553-L738 WeakPolarHBondContact O-CB 3.5Å; R553-L738 PolarHBondContact O-N 3.46Å
554A91.7Very high79.7Confident18 Ų1866.8 Ų66.815%0.14935%0.347CS..EExtended strand (participates in β ladder)trans-121.9144.9173.600000109.9I548 S549 V736I548-A554 CarbonylContact C-O 3.55Å; I548-A554 WeakPolarHBondContact CA-O 3.33Å; S549-A554 PolarHBondContact N-O 3.33Å; S549-A554 WeakPolarHBondContact OG-CB 3.35Å; S549-A554 PolarHBondContact OG-N 3.31Å; S549-A554 PolarHBondContact OG-O 2.98Å; A554-V736 CarbonylContact C-O 3.42Å; A554-V736 WeakPolarHBondContact CA-O 3.09Å
555V91.6Very high79.9Confident3 Ų362.9 Ų62.92%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-133.2139.1169.356.10000109.1L535 L546 A547 I548 V581 F730 A735 V736L535-V555 HydrophobicContact CD1-CB 3.94Å; L535-V555 HydrophobicContact CD1-CG1 3.78Å; L546-V555 HydrophobicContact CD2-CG2 3.92Å; A547-V555 WeakPolarHBondContact O-CA 3.47Å; I548-V555 HydrophobicContact CG1-CB 4.26Å; I548-V555 HydrophobicContact CG1-CG2 4.1Å; V555-V581 HydrophobicContact CG2-CG2 3.97Å; V555-F730 HydrophobicContact CB-CZ 4.36Å; V555-F730 HydrophobicContact CG1-CE1 4.25Å; V555-F730 HydrophobicContact CG1-CE2 3.79Å; V555-F730 HydrophobicContact CG1-CZ 3.32Å; V555-F730 HydrophobicContact CG2-CE2 4.03Å; V555-F730 HydrophobicContact CG2-CZ 4.15Å; V555-A735 CarbonylContact O-C 3.44Å; V555-A735 VanDerWaalsContact O-CA 3.23Å; V555-A735 WeakPolarHBondContact O-CA 3.46Å; V555-V736 HydrophobicContact CG1-CB 4Å; V555-V736 PolarHBondContact N-O 2.86Å; V555-V736 PolarHBondContact O-N 3.46Å
556R90.1Very high79.5Confident141 Ų14162.1 Ų62.153%0.53234%0.336SS..EExtended strand (participates in β ladder)trans-126.8126.3169.7177.9177.6-92.4178.8-7.7109.1A547 V558 G734 A735A547-R556 PolarHBondContact N-O 3.35Å; A547-R556 PolarHBondContact O-N 2.88Å; R556-V558 HydrophobicContact CG-CG2 4.09Å; R556-G734 CarbonylContact C-O 3.44Å; R556-G734 WeakPolarHBondContact CA-O 3.32Å; R556-A735 HydrophobicContact CB-CB 4.23Å; R556-A735 HydrophobicContact CG-CB 4.34Å
557S87.4Confident78.7Confident4 Ų464.2 Ų64.23%0.02836%0.356CS..EExtended strand (participates in β ladder)trans-92.9132.3165.5-177.50000109.6R545 D579 F730 G732 G733 G734R545-S557 CarbonylContact O-C 3.55Å; R545-S557 WeakPolarHBondContact O-CA 3.5Å; S557-D579 PolarHBondContact OG-OD2 2.98Å; S557-F730 VanDerWaalsContact CB-CB 3.46Å; S557-G732 PolarHBondContact OG-O 3.43Å; S557-G733 WeakPolarHBondContact O-CA 3.38Å; S557-G734 PolarHBondContact N-O 2.85Å; S557-G734 PolarHBondContact O-N 2.79Å; S557-G734 VanDerWaalsContact O-N 3.1Å
558V80.1Confident77.8Confident71 Ų7167.9 Ų67.943%0.4337%0.368SS..  trans-118.1135.8176.5-173.50000108.5R545 R556 G560R545-V558 PolarHBondContact O-N 3.27Å; R556-V558 HydrophobicContact CG-CG2 4.09Å; V558-G560 PolarHBondContact O-N 2.78Å
559P67.2Low76.7Confident55 Ų5574.9 Ų74.936%0.35739%0.391SS..  trans-52.4112.3169.2-28.337.5000111.1L563P559-L563 HydrophobicContact CB-CD2 4.15Å
560G66.1Low75.2Confident9 Ų978.1 Ų78.19%0.09340%0.404CS..  trans-68.9158.4178.400000112.6V558 P562 L563 L564V558-G560 PolarHBondContact O-N 2.78Å; G560-P562 VanDerWaalsContact C-N 3.27Å; G560-L563 WeakPolarHBondContact O-CB 3.16Å; G560-L563 PolarHBondContact O-N 3.27Å; G560-L564 PolarHBondContact O-N 2.74Å
561L66.4Low73.8Confident120 Ų12076.5 Ų76.563%0.62841%0.405SS*.Hα-helixtrans-49.9-37.9176.2-173.466.1000113.9L563 L564 L565L561-L563 VanDerWaalsContact C-N 3.31Å; L561-L563 PolarHBondContact O-N 3.04Å; L561-L564 PolarHBondContact O-N 3.18Å; L561-L565 HydrophobicContact CD1-CG 4.46Å; L561-L565 HydrophobicContact CG-CD1 4Å; L561-L565 HydrophobicContact CG-CG 4.31Å; L561-L565 VanDerWaalsContact O-CG 3.32Å; L561-L565 WeakPolarHBondContact O-CG 3.27Å; L561-L565 PolarHBondContact O-N 3.42Å
562P65.4Low72.1Confident86 Ų8678.6 Ų78.656%0.55842%0.421SS*.Hα-helixtrans-61.2-33.2175.6-25.936.3000114.5G560 A566G560-P562 VanDerWaalsContact C-N 3.27Å; P562-A566 VanDerWaalsContact O-CB 3.31Å; P562-A566 WeakPolarHBondContact O-CB 3.47Å; P562-A566 PolarHBondContact O-N 3.24Å
563L67.6Low70.4Confident36 Ų3678.8 Ų78.819%0.18844%0.439CS..Hα-helixtrans-72.1-38.8177.2-173.867000111.1P559 G560 L561 A566 A567 L576P559-L563 HydrophobicContact CB-CD2 4.15Å; G560-L563 WeakPolarHBondContact O-CB 3.16Å; G560-L563 PolarHBondContact O-N 3.27Å; L561-L563 VanDerWaalsContact C-N 3.31Å; L561-L563 PolarHBondContact O-N 3.04Å; L563-A566 PolarHBondContact O-N 3.03Å; L563-A567 WeakPolarHBondContact O-CB 3.45Å; L563-A567 PolarHBondContact O-N 3.21Å; L563-L576 HydrophobicContact CD1-CD2 4.22Å; L563-L576 HydrophobicContact CD2-CD2 4.17Å
564L69.3Low68.8Low105 Ų10580.9 Ų80.955%0.5546%0.456SS..Hα-helixtrans-63.9-43.2174.2-65.5174.5000111.2G560 L561 A567 D568G560-L564 PolarHBondContact O-N 2.74Å; L561-L564 PolarHBondContact O-N 3.18Å; L564-A567 PolarHBondContact O-N 2.79Å; L564-D568 WeakPolarHBondContact O-CB 3.32Å; L564-D568 PolarHBondContact O-N 3.45Å
565L67.4Low67.2Low80 Ų8088.5 Ų88.542%0.41949%0.489SS..Hα-helixtrans-67.1-34.9175.9-68.6171.6000112.8L561 R569L561-L565 HydrophobicContact CD1-CG 4.46Å; L561-L565 HydrophobicContact CG-CD1 4Å; L561-L565 HydrophobicContact CG-CG 4.31Å; L561-L565 VanDerWaalsContact O-CG 3.32Å; L561-L565 WeakPolarHBondContact O-CG 3.27Å; L561-L565 PolarHBondContact O-N 3.42Å; L565-R569 WeakPolarHBondContact O-CB 3.44Å; L565-R569 VanDerWaalsContact O-CG 3.31Å; L565-R569 WeakPolarHBondContact O-CG 3.1Å; L565-R569 PolarHBondContact O-N 3.26Å
566A64.4Low65.8Low37 Ų3791.8 Ų91.831%0.30651%0.506SS..Hα-helixtrans-69.9-40.6174.900000112.1P562 L563 D568 R569 L570P562-A566 VanDerWaalsContact O-CB 3.31Å; P562-A566 WeakPolarHBondContact O-CB 3.47Å; P562-A566 PolarHBondContact O-N 3.24Å; L563-A566 PolarHBondContact O-N 3.03Å; A566-D568 VanDerWaalsContact C-N 3.3Å; A566-D568 PolarHBondContact O-N 2.94Å; A566-R569 PolarHBondContact O-N 2.87Å; A566-L570 PolarHBondContact O-N 3.29Å
567A67Low64.8Low62 Ų6287 Ų8751%0.51249%0.494SS..Hα-helixtrans-64.9-32.6175.500000112.8L563 L564L563-A567 WeakPolarHBondContact O-CB 3.45Å; L563-A567 PolarHBondContact O-N 3.21Å; L564-A567 PolarHBondContact O-N 2.79Å
568D67.7Low64.3Low136 Ų13689.8 Ų89.873%0.72751%0.511SS*.Hα-helixtrans-72.4-33.4176-172.961.8000112.8L564 A566L564-D568 WeakPolarHBondContact O-CB 3.32Å; L564-D568 PolarHBondContact O-N 3.45Å; A566-D568 VanDerWaalsContact C-N 3.3Å; A566-D568 PolarHBondContact O-N 2.94Å
569R64.5Low64.4Low200 Ų20086.5 Ų86.576%0.75549%0.491SS*.Hα-helixtrans-92-21.5-172.2-71.3-179.2180-165.61.2115.8L565 A566L565-R569 WeakPolarHBondContact O-CB 3.44Å; L565-R569 VanDerWaalsContact O-CG 3.31Å; L565-R569 WeakPolarHBondContact O-CG 3.1Å; L565-R569 PolarHBondContact O-N 3.26Å; A566-R569 PolarHBondContact O-N 2.87Å
570L57Low65.2Low102 Ų10284.1 Ų84.153%0.53448%0.475SS..  trans-123.2118.3-175.5-72.9165.4000111.2A566 T572A566-L570 PolarHBondContact O-N 3.29Å; L570-T572 PolarHBondContact O-N 3.4Å
571L56.3Low66.2Low187 Ų18783.7 Ų83.798%0.97947%0.471SS*.SBendtrans-76.3-2.1168.8-78.9167.1000113.2
572T49.2Very low67.3Low114 Ų11478.3 Ų78.370%0.69944%0.443SS*.SBendtrans-137.2117.7176.650.80000111L570L570-T572 PolarHBondContact O-N 3.4Å
573G53.4Low68.5Low65 Ų6574.2 Ų74.267%0.6742%0.416SS*.  trans71101.1164.300000116.2
574C54.9Low69.4Low67 Ų6772.5 Ų72.545%0.45341%0.407SS..  trans-96.7129.6162.261.40000110L576C574-L576 PolarHBondContact O-N 2.93Å
575H57.9Low70.3Confident179 Ų17968.2 Ų68.283%0.82939%0.385SS*.  trans-77.5113.4170.2-68.8-74.9000108.6S577H575-S577 PolarHBondContact O-N 3.46Å
576L63.5Low71.4Confident71 Ų7164.9 Ų64.937%0.37237%0.369SS..PPolyproline II helixtrans-75.6120.8173.4-64.9171.9000108.8L563 C574 Y603 I731L563-L576 HydrophobicContact CD1-CD2 4.22Å; L563-L576 HydrophobicContact CD2-CD2 4.17Å; C574-L576 PolarHBondContact O-N 2.93Å; L576-Y603 HydrophobicContact CD1-CE1 3.92Å; L576-I731 HydrophobicContact CB-CG2 3.87Å; L576-I731 HydrophobicContact CD1-CG2 3.78Å; L576-I731 HydrophobicContact CG-CG2 4.42Å
577S68.6Low72.6Confident40 Ų4063.5 Ų63.528%0.2836%0.357SS..PPolyproline II helixtrans-71.7140.2171.355.50000110.4R545 H575R545-S577 VanDerWaalsContact CZ-OG 3.32Å; R545-S577 PolarHBondContact NH1-OG 3.14Å; H575-S577 PolarHBondContact O-N 3.46Å
578V77.6Confident73.8Confident63 Ų6364.3 Ų64.338%0.38236%0.356SS..EExtended strand (participates in β ladder)trans-93.1118.8169.9-172.70000107.7V580 F619 C729 F730 I731V578-V580 HydrophobicContact CG1-CG2 4.03Å; V578-F619 HydrophobicContact CG1-CE1 4.32Å; V578-C729 HydrophobicContact CG1-CB 3.81Å; V578-F730 WeakPolarHBondContact CA-O 3.36Å; V578-I731 HydrophobicContact CB-CG1 4.37Å; V578-I731 HydrophobicContact CG1-CG1 4.21Å; V578-I731 HydrophobicContact CG2-CD1 4.14Å; V578-I731 HydrophobicContact CG2-CG1 3.91Å
579D80.6Confident74.9Confident3 Ų364.9 Ų64.92%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-95139168.9-66.6-40.6000108.8R545 L546 S557 C729 F730R545-D579 IonicContact CZ-OD1 3.98Å; R545-D579 VanDerWaalsContact CZ-OD1 3.29Å; R545-D579 IonicContact NE-OD1 3.19Å; R545-D579 PolarHBondContact NE-OD1 3.5Å; R545-D579 IonicContact NE-OD2 3.33Å; R545-D579 PolarHBondContact NE-OD2 3.4Å; R545-D579 IonicContact NH2-OD1 2.89Å; R545-D579 PolarHBondContact NH2-OD1 2.91Å; L546-D579 HydrophobicContact CD1-CB 3.75Å; L546-D579 HydrophobicContact CD2-CB 3.88Å; L546-D579 HydrophobicContact CG-CB 3.78Å; S557-D579 PolarHBondContact OG-OD2 2.98Å; D579-C729 CarbonylContact O-C 3.55Å; D579-C729 VanDerWaalsContact O-CA 3.29Å; D579-C729 WeakPolarHBondContact O-CA 3.45Å; D579-F730 HydrophobicContact CB-CB 4.34Å; D579-F730 PolarHBondContact N-O 3.44Å; D579-F730 PolarHBondContact O-N 3.48Å
580V84.2Confident76.2Confident4 Ų456.7 Ų56.72%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-126.1133.8-176.4-177.70000110.7V578 L582 F619 F728 C729V578-V580 HydrophobicContact CG1-CG2 4.03Å; V580-L582 HydrophobicContact CG1-CD2 3.86Å; V580-L582 HydrophobicContact CG1-CG 4.47Å; V580-F619 HydrophobicContact CG2-CB 4.46Å; V580-F619 HydrophobicContact CG2-CD1 3.66Å; V580-F619 HydrophobicContact CG2-CD2 4.13Å; V580-F619 HydrophobicContact CG2-CE1 3.83Å; V580-F619 HydrophobicContact CG2-CE2 4.31Å; V580-F619 HydrophobicContact CG2-CG 3.83Å; V580-F619 HydrophobicContact CG2-CZ 4.17Å; V580-F728 WeakPolarHBondContact CA-O 3.13Å; V580-C729 HydrophobicContact CG2-CB 4.24Å
581V88.3Confident78Confident0 Ų057.3 Ų57.30%033%0.327CS..EExtended strand (participates in β ladder)trans-124.4132.8173.5176.40000108.7L535 L546 I548 V555 F728 F730L535-V581 HydrophobicContact CB-CG1 3.85Å; L535-V581 HydrophobicContact CD2-CG1 4.07Å; L535-V581 HydrophobicContact CG-CG1 4.47Å; L546-V581 HydrophobicContact CD1-CG2 3.62Å; L546-V581 HydrophobicContact CD2-CG2 4.17Å; L546-V581 HydrophobicContact CG-CG2 4.47Å; I548-V581 HydrophobicContact CD1-CG1 4.2Å; V555-V581 HydrophobicContact CG2-CG2 3.97Å; V581-F728 PolarHBondContact N-O 2.85Å; V581-F728 PolarHBondContact O-N 2.76Å; V581-F730 HydrophobicContact CB-CE2 4.5Å; V581-F730 HydrophobicContact CG2-CE2 4.38Å
582L89.6Confident79.7Confident8 Ų849.1 Ų49.14%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-108.4151.7179.9-57-176.4000110D536 W539 V580 L615 P726 A727D536-L582 PolarHBondContact N-O 2.95Å; D536-L582 PolarHBondContact O-N 3.45Å; W539-L582 HydrophobicContact CB-CD1 4.1Å; W539-L582 HydrophobicContact CB-CG 4.45Å; W539-L582 HydrophobicContact CG-CD1 4.24Å; V580-L582 HydrophobicContact CG1-CD2 3.86Å; V580-L582 HydrophobicContact CG1-CG 4.47Å; L582-L615 HydrophobicContact CD2-CD1 3.85Å; L582-P726 WeakPolarHBondContact CA-O 3.15Å; L582-A727 HydrophobicContact CD2-CB 3.63Å
583G89.2Confident81.9Confident0 Ų043.8 Ų43.80%025%0.253CS..EExtended strand (participates in β ladder)trans-67.9151.4161.200000110.1F533 F534 V585 P726 I752F533-G583 VanDerWaalsContact CD2-CA 3.41Å; F534-G583 CarbonylContact O-C 3.55Å; F534-G583 WeakPolarHBondContact O-CA 3.49Å; G583-V585 VanDerWaalsContact C-N 3.28Å; G583-V585 PolarHBondContact O-N 2.69Å; G583-P726 PolarHBondContact N-O 2.94Å; G583-I752 WeakPolarHBondContact O-CD1 3.34Å
584D87.4Confident83.9Confident0 Ų040.8 Ų40.80%022%0.221CC..SBendtrans-83.51.6179.163.6-9.5000114.8F533 F534 R748 V750 T751 F755F533-D584 WeakPolarHBondContact CA-OD1 3.46Å; F534-D584 PolarHBondContact N-OD1 2.89Å; F534-D584 PolarHBondContact O-N 2.87Å; D584-R748 IonicContact OD2-CZ 3.19Å; D584-R748 IonicContact OD2-NE 3.61Å; D584-R748 PolarHBondContact OD2-NE 3.3Å; D584-R748 IonicContact OD2-NH2 3.25Å; D584-R748 PolarHBondContact OD2-NH2 3.37Å; D584-V750 HydrophobicContact CB-CG1 4.5Å; D584-V750 HydrophobicContact CB-CG2 4.42Å; D584-V750 WeakPolarHBondContact O-CA 3.43Å; D584-T751 PolarHBondContact O-N 3.4Å; D584-T751 VanDerWaalsContact O-N 3.12Å; D584-F755 HydrophobicContact CB-CE1 4.14Å; D584-F755 HydrophobicContact CB-CZ 3.93Å
585V88.8Confident85.7Confident14 Ų1437.7 Ų37.79%0.08520%0.2CC..  trans-119.9127.9177.7-177.50000110.2L531 F533 G583 P726 K749 T751L531-V585 HydrophobicContact CD1-CG1 3.94Å; F533-V585 HydrophobicContact CB-CB 3.92Å; F533-V585 HydrophobicContact CB-CG2 3.86Å; G583-V585 VanDerWaalsContact C-N 3.28Å; G583-V585 PolarHBondContact O-N 2.69Å; V585-P726 VanDerWaalsContact O-CD 3.27Å; V585-P726 WeakPolarHBondContact O-CD 3.35Å; V585-K749 WeakPolarHBondContact CG2-O 3.44Å; V585-T751 WeakPolarHBondContact CA-OG1 3.41Å
586A89.5Confident87.5Confident11 Ų1129.3 Ų29.39%0.09116%0.161CC..  trans-96.2144.3168.400000111.5P723 V724 C725 T751 I752A586-P723 HydrophobicContact CB-CB 3.66Å; A586-V724 CarbonylContact C-O 3.5Å; A586-V724 WeakPolarHBondContact CA-O 3.27Å; A586-C725 VanDerWaalsContact CB-SG 3.59Å; A586-T751 PolarHBondContact N-OG1 2.88Å; A586-I752 HydrophobicContact CB-CG1 4.08Å
587V90.5Very high89Confident7 Ų727.7 Ų27.74%0.04216%0.158CC..BIsolated β-bridgetrans-96.4129.5173.4-176.90000108.9L531 L695 Y697 V724L531-V587 HydrophobicContact CD1-CG2 4.13Å; L531-V587 HydrophobicContact CD2-CG2 3.66Å; V587-L695 HydrophobicContact CB-CD2 3.7Å; V587-L695 HydrophobicContact CG1-CD2 3.83Å; V587-L695 HydrophobicContact CG2-CD2 4.01Å; V587-Y697 HydrophobicContact CG1-CD2 4.36Å; V587-Y697 WeakPolarHBondContact O-CE2 3.39Å; V587-V724 PolarHBondContact N-O 3.41Å; V587-V724 PolarHBondContact O-N 3.39Å
588T91Very high90.3Very high80 Ų8026.2 Ų26.249%0.49115%0.148SC..  trans-123.5-6-177.953.80000113.8Y697 P723T588-Y697 WeakPolarHBondContact O-CD1 3.33Å; T588-Y697 WeakPolarHBondContact O-CE1 3.49Å; T588-Y697 VanDerWaalsContact O-CZ 3.24Å; T588-P723 HydrophobicContact CG2-CB 4.02Å; T588-P723 HydrophobicContact CG2-CG 4.14Å
589Q91.6Very high91.1Very high147 Ų14726.1 Ų26.169%0.68715%0.145SC*.SBendtrans-163.9158.2179.359.8-177.91500111.4
590G91.9Very high91.6Very high28 Ų2829.9 Ų29.929%0.28917%0.17SC..SBendtrans69.2-160.6172.100000115.2Y697 E698G590-Y697 WeakPolarHBondContact O-CB 3.3Å; G590-Y697 PolarHBondContact O-N 3.34Å; G590-E698 PolarHBondContact N-OE1 3.49Å; G590-E698 VanDerWaalsContact N-OE1 3.09Å
591R93.4Very high91.9Very high115 Ų11533.7 Ų33.743%0.43420%0.202SC..EExtended strand (participates in β ladder)trans-108.2141.5-179.8-64.5-179.7172-171.4-7111.1A528 L695 D696A528-R591 HydrophobicContact CB-CB 3.64Å; R591-L695 CarbonylContact C-O 3.58Å; R591-L695 VanDerWaalsContact CA-O 3.25Å; R591-L695 WeakPolarHBondContact CA-O 3.5Å; R591-D696 HydrophobicContact CG-CB 4.12Å; R591-D696 IonicContact CZ-OD2 3.26Å; R591-D696 IonicContact NE-OD1 2.77Å; R591-D696 IonicContact NE-OD2 2.79Å; R591-D696 PolarHBondContact NE-OD2 3.15Å; R591-D696 IonicContact NH2-OD2 2.85Å; R591-D696 PolarHBondContact NH2-OD2 3.35Å
592S93.3Very high92Very high16 Ų1633.9 Ų33.911%0.11220%0.203CC..EExtended strand (participates in β ladder)trans-138.3139.6-179.3-73.80000110.7C694 L695S592-C694 CarbonylContact O-C 3.56Å; S592-C694 WeakPolarHBondContact O-CA 3.38Å; S592-L695 PolarHBondContact N-O 3.01Å; S592-L695 PolarHBondContact O-N 3.01Å
593Y94.6Very high91.9Very high2 Ų239.8 Ų39.81%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-127141.4177.6176.2-95.3000111.9Y443 P526 P527 P529 V530 L531 A595 I693 C694 L705 A707 F710Y443-Y593 HydrophobicContact CD2-CE1 4.13Å; Y443-Y593 HydrophobicContact CE2-CD1 4.09Å; Y443-Y593 AromaticContact CE2-CE1 3.73Å; Y443-Y593 HydrophobicContact CE2-CE1 3.73Å; P526-Y593 HydrophobicContact CB-CD1 3.5Å; P526-Y593 HydrophobicContact CB-CE1 3.74Å; P526-Y593 HydrophobicContact CB-CG 4.01Å; P526-Y593 HydrophobicContact CG-CD1 4Å; P526-Y593 HydrophobicContact CG-CE1 3.9Å; P527-Y593 HydrophobicContact CG-CD2 4.14Å; P527-Y593 HydrophobicContact CG-CE2 4.48Å; P529-Y593 PolarHBondContact O-N 3.08Å; V530-Y593 CarbonylContact C-O 3.52Å; V530-Y593 VanDerWaalsContact CA-O 3.24Å; V530-Y593 WeakPolarHBondContact CA-O 3.31Å; V530-Y593 HydrophobicContact CG2-CD1 4.35Å; L531-Y593 PolarHBondContact N-O 3.41Å; Y593-A595 HydrophobicContact CE1-CB 4.28Å; Y593-I693 CarbonylContact C-O 3.59Å; Y593-I693 VanDerWaalsContact CA-O 3.26Å; Y593-I693 WeakPolarHBondContact CA-O 3.42Å; Y593-I693 VanDerWaalsContact CD2-O 3.3Å; Y593-I693 WeakPolarHBondContact CD2-O 3.47Å; Y593-C694 HydrophobicContact CD2-CB 4.12Å; Y593-L705 HydrophobicContact CE2-CD1 4.33Å; Y593-A707 WeakPolarHBondContact OH-CB 3.44Å; Y593-F710 HydrophobicContact CE2-CE1 4.4Å; Y593-F710 AromaticContact CZ-CE1 3.98Å
594W94.8Very high91.8Very high2 Ų242.1 Ų42.11%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-146.3159.2164.761.599.7000110.1L531 F533 V609 G692 I693 L695 P726L531-W594 HydrophobicContact CB-CE3 4.15Å; L531-W594 HydrophobicContact CD2-CE3 3.94Å; L531-W594 HydrophobicContact CD2-CZ3 4.03Å; F533-W594 HydrophobicContact CE1-CB 3.91Å; F533-W594 AromaticContact CE1-CD1 3.72Å; F533-W594 AromaticContact CE1-CD2 3.92Å; F533-W594 HydrophobicContact CE1-CD2 3.92Å; F533-W594 AromaticContact CE1-CG 3.58Å; F533-W594 HydrophobicContact CE1-CG 3.58Å; F533-W594 AromaticContact CZ-CD1 3.73Å; F533-W594 HydrophobicContact CZ-CD2 4.5Å; F533-W594 HydrophobicContact CZ-CG 4.08Å; F533-W594 AromaticContact CZ-NE1 3.95Å; W594-V609 HydrophobicContact CH2-CG1 3.29Å; W594-V609 HydrophobicContact CZ2-CG1 3.47Å; W594-V609 VanDerWaalsContact CZ2-CG1 3.47Å; W594-G692 WeakPolarHBondContact O-CA 3.34Å; W594-I693 HydrophobicContact CD2-CB 4.15Å; W594-I693 HydrophobicContact CH2-CB 4.34Å; W594-I693 HydrophobicContact CH2-CG2 3.73Å; W594-I693 HydrophobicContact CZ2-CB 3.79Å; W594-I693 HydrophobicContact CZ2-CG1 4.46Å; W594-I693 HydrophobicContact CZ2-CG2 3.43Å; W594-I693 VanDerWaalsContact CZ2-CG2 3.43Å; W594-I693 HydrophobicContact CZ3-CG2 4.42Å; W594-I693 PolarHBondContact N-O 3.49Å; W594-I693 PolarHBondContact O-N 3.28Å; W594-L695 HydrophobicContact CH2-CB 4.35Å; W594-L695 HydrophobicContact CZ3-CB 4.25Å; W594-P726 HydrophobicContact CH2-CG 4.19Å; W594-P726 HydrophobicContact CZ2-CB 3.87Å; W594-P726 HydrophobicContact CZ2-CG 4Å
595A94.5Very high92.1Very high2 Ų242.1 Ų42.12%0.01724%0.238CC..EExtended strand (participates in β ladder)trans-122.6150.1175.900000111.5Y443 Y593 L691 A707 Q739Y443-A595 HydrophobicContact CE2-CB 3.94Å; Y443-A595 PolarHBondContact OH-N 3.12Å; Y593-A595 HydrophobicContact CE1-CB 4.28Å; A595-L691 CarbonylContact C-O 3.57Å; A595-L691 VanDerWaalsContact CA-O 3.24Å; A595-L691 WeakPolarHBondContact CA-O 3.33Å; A595-A707 HydrophobicContact CB-CB 4.08Å; A595-Q739 HydrophobicContact CB-CB 3.93Å; A595-Q739 HydrophobicContact CB-CG 4.46Å; A595-Q739 WeakPolarHBondContact O-CB 3.35Å; A595-Q739 PolarHBondContact O-N 2.92Å
596C95Very high92.2Very high2 Ų244.9 Ų44.91%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-144.8156.5173.966.20000111.2L691 V736 Q737 L738C596-L691 PolarHBondContact N-O 3.01Å; C596-L691 PolarHBondContact O-N 3.33Å; C596-V736 HydrophobicContact CB-CG1 3.93Å; C596-Q737 CarbonylContact C-O 3.6Å; C596-Q737 WeakPolarHBondContact CA-O 3.25Å; C596-Q737 WeakPolarHBondContact CB-O 3.45Å; C596-L738 HydrophobicContact CB-CD2 4.03Å
597A95.3Very high92.5Very high37 Ų3744.3 Ų44.331%0.30624%0.244SC..EExtended strand (participates in β ladder)trans-104.8131.6168.300000108.6V736 Q737A597-V736 CarbonylContact O-C 3.51Å; A597-V736 WeakPolarHBondContact O-CA 3.33Å; A597-Q737 PolarHBondContact N-O 3.18Å; A597-Q737 PolarHBondContact O-N 2.85Å
598V95Very high92.6Very high10 Ų1044 Ų446%0.06124%0.242CC..EExtended strand (participates in β ladder)trans-102.4132172.3-174.50000107.4P600 V605 V607 I656 L687 V736V598-P600 VanDerWaalsContact O-CD 3.31Å; V598-P600 WeakPolarHBondContact O-CD 3.31Å; V598-V605 HydrophobicContact CG1-CB 4.07Å; V598-V605 HydrophobicContact CG1-CG1 4.24Å; V598-V605 HydrophobicContact CG1-CG2 4.14Å; V598-V607 HydrophobicContact CG2-CG2 3.84Å; V598-I656 HydrophobicContact CB-CD1 4.36Å; V598-I656 HydrophobicContact CG1-CG2 4.08Å; V598-I656 HydrophobicContact CG2-CD1 3.72Å; V598-L687 HydrophobicContact CB-CD1 4.46Å; V598-L687 HydrophobicContact CB-CD2 4.1Å; V598-L687 WeakPolarHBondContact O-CD2 3.46Å; V598-V736 HydrophobicContact CG1-CG2 4.37Å; V598-V736 HydrophobicContact CG2-CG2 4.15Å
599D93.9Very high92.8Very high61 Ų6140.2 Ų40.233%0.32622%0.219SC..  trans-62.1121177.4-177.8-11.2000109.1A601 S602 A735D599-A601 PolarHBondContact O-N 3.3Å; D599-A601 VanDerWaalsContact O-N 3.11Å; D599-A601 WeakPolarHBondContact OD1-CB 3.31Å; D599-A601 PolarHBondContact OD1-N 3.19Å; D599-S602 WeakPolarHBondContact O-CB 3.37Å; D599-S602 PolarHBondContact O-N 3.48Å; D599-S602 PolarHBondContact O-OG 3.05Å; D599-A735 HydrophobicContact CB-CB 3.88Å; D599-A735 PolarHBondContact N-O 3.34Å
600P91.7Very high92.7Very high81 Ų8133.2 Ų33.253%0.52619%0.186SC..THydrogen-bonded Turntrans-58.4-24.1179.6-24.534.4000113.8V598 S602 M658 G659 L687V598-P600 VanDerWaalsContact O-CD 3.31Å; V598-P600 WeakPolarHBondContact O-CD 3.31Å; P600-S602 PolarHBondContact O-N 3.22Å; P600-M658 CarbonylContact O-C 3.6Å; P600-G659 PolarHBondContact O-N 3.12Å; P600-L687 HydrophobicContact CG-CD2 4.47Å
601A90.2Very high92.6Very high85 Ų8532 Ų3270%0.70217%0.173SC*.THydrogen-bonded Turntrans-78.3-2.3175.800000113.5D599 Y603D599-A601 PolarHBondContact O-N 3.3Å; D599-A601 VanDerWaalsContact O-N 3.11Å; D599-A601 WeakPolarHBondContact OD1-CB 3.31Å; D599-A601 PolarHBondContact OD1-N 3.19Å; A601-Y603 PolarHBondContact O-N 3.49Å
602S90.4Very high92.3Very high3 Ų327.5 Ų27.52%0.02116%0.157CC..  trans-62.9134.5176.3-56.10000111D599 P600 M658 G734 A735D599-S602 WeakPolarHBondContact O-CB 3.37Å; D599-S602 PolarHBondContact O-N 3.48Å; D599-S602 PolarHBondContact O-OG 3.05Å; P600-S602 PolarHBondContact O-N 3.22Å; S602-M658 PolarHBondContact O-N 2.76Å; S602-G734 VanDerWaalsContact OG-CA 3.29Å; S602-G734 WeakPolarHBondContact OG-CA 3.3Å; S602-A735 PolarHBondContact OG-N 3.09Å
603Y87.3Confident91.8Very high133 Ų13329.4 Ų29.452%0.52217%0.17SC..SBendtrans-64.5-62.3178.3-176.6-106.8000110.5L576 A601 G657 I731 G733L576-Y603 HydrophobicContact CD1-CE1 3.92Å; A601-Y603 PolarHBondContact O-N 3.49Å; Y603-G657 VanDerWaalsContact O-CA 3.24Å; Y603-G657 WeakPolarHBondContact O-CA 3.34Å; Y603-I731 WeakPolarHBondContact CD1-O 3.28Å; Y603-G733 WeakPolarHBondContact CB-O 3.39Å; Y603-G733 PolarHBondContact N-O 2.94Å
604L88.7Confident91.3Very high48 Ų4833.1 Ų33.125%0.25119%0.187SC..EExtended strand (participates in β ladder)trans-151.8124.5173.2-164.682000110.9T655 I656 I731L604-T655 HydrophobicContact CD1-CG2 3.66Å; L604-T655 HydrophobicContact CG-CG2 4.21Å; L604-I656 CarbonylContact C-O 3.55Å; L604-I656 WeakPolarHBondContact CA-O 3.29Å; L604-I731 HydrophobicContact CB-CB 4.08Å; L604-I731 HydrophobicContact CB-CG2 4.41Å; L604-I731 HydrophobicContact CD2-CB 4.02Å; L604-I731 HydrophobicContact CD2-CD1 3.65Å; L604-I731 HydrophobicContact CD2-CG1 4.4Å; L604-I731 HydrophobicContact CD2-CG2 4.11Å; L604-I731 PolarHBondContact O-N 3.06Å
605V92.1Very high90.7Very high0 Ų033.2 Ų33.20%019%0.187CC..EExtended strand (participates in β ladder)trans-130.3134178.3-179.40000108.7V598 V607 I656 C729 F730 V736V598-V605 HydrophobicContact CG1-CB 4.07Å; V598-V605 HydrophobicContact CG1-CG1 4.24Å; V598-V605 HydrophobicContact CG1-CG2 4.14Å; V605-V607 HydrophobicContact CG1-CG2 3.89Å; V605-I656 PolarHBondContact N-O 2.86Å; V605-I656 PolarHBondContact O-N 3.01Å; V605-C729 CarbonylContact C-O 3.53Å; V605-C729 WeakPolarHBondContact CA-O 3.41Å; V605-F730 HydrophobicContact CG1-CD1 4.4Å; V605-F730 HydrophobicContact CG1-CE1 4.09Å; V605-F730 HydrophobicContact CG2-CD1 3.91Å; V605-F730 HydrophobicContact CG2-CE1 4.07Å; V605-V736 HydrophobicContact CG1-CG2 3.72Å
606K92.5Very high89.5Confident72 Ų7235.5 Ų35.531%0.31320%0.197SC..EExtended strand (participates in β ladder)trans-107.4122.2169.8-65.2-174.6177-177.90108.9F653 L654 T655 F728 C729K606-F653 HydrophobicContact CB-CB 4.13Å; K606-F653 HydrophobicContact CB-CD1 4.03Å; K606-F653 HydrophobicContact CB-CG 4.19Å; K606-F653 HydrophobicContact CD-CB 4.45Å; K606-L654 WeakPolarHBondContact CA-O 3.18Å; K606-T655 HydrophobicContact CG-CG2 4.45Å; K606-F728 CarbonylContact O-C 3.54Å; K606-F728 WeakPolarHBondContact O-CA 3.16Å; K606-C729 HydrophobicContact CB-CB 4.07Å; K606-C729 PolarHBondContact N-O 3Å; K606-C729 PolarHBondContact O-N 3.34Å
607V94.8Very high88.6Confident0 Ų041.2 Ų41.20%022%0.224CC..EExtended strand (participates in β ladder)trans-114131.5177.9-179.70000108.6V598 V605 L654 I656 L691 I693 F704 F728V598-V607 HydrophobicContact CG2-CG2 3.84Å; V605-V607 HydrophobicContact CG1-CG2 3.89Å; V607-L654 PolarHBondContact N-O 3.31Å; V607-L654 PolarHBondContact O-N 3.38Å; V607-I656 HydrophobicContact CB-CD1 4.44Å; V607-I656 HydrophobicContact CG2-CD1 3.98Å; V607-L691 HydrophobicContact CB-CD2 4.13Å; V607-L691 HydrophobicContact CG1-CD2 4.08Å; V607-I693 HydrophobicContact CG1-CD1 3.92Å; V607-I693 HydrophobicContact CG1-CG1 4.28Å; V607-F704 VanDerWaalsContact O-CE1 3.3Å; V607-F704 WeakPolarHBondContact O-CE1 3.48Å; V607-F728 HydrophobicContact CB-CD1 4.43Å; V607-F728 HydrophobicContact CG1-CD1 3.95Å; V607-F728 HydrophobicContact CG1-CE1 3.7Å; V607-F728 HydrophobicContact CG2-CD1 4.12Å
608G93.3Very high87.4Confident0 Ų042.5 Ų42.50%023%0.231CC..EExtended strand (participates in β ladder)trans175.9-149.8-177.500000114A652 A727G608-A652 WeakPolarHBondContact CA-O 3.37Å; G608-A727 PolarHBondContact N-O 3.34Å; G608-A727 PolarHBondContact O-N 2.78Å
609V94.2Very high86Confident0 Ų045.4 Ų45.40%024%0.243CC..EExtended strand (participates in β ladder)trans-139.2161.7179.9-61.30000111.1W594 F651 A652 V702 L718 V724 C725W594-V609 HydrophobicContact CH2-CG1 3.29Å; W594-V609 HydrophobicContact CZ2-CG1 3.47Å; W594-V609 VanDerWaalsContact CZ2-CG1 3.47Å; V609-F651 WeakPolarHBondContact O-CA 3.32Å; V609-A652 HydrophobicContact CG2-CB 4.29Å; V609-A652 PolarHBondContact N-O 2.85Å; V609-A652 PolarHBondContact O-N 3.39Å; V609-V702 HydrophobicContact CG2-CB 4.33Å; V609-V702 HydrophobicContact CG2-CG1 4.17Å; V609-V702 HydrophobicContact CG2-CG2 3.33Å; V609-L718 HydrophobicContact CG2-CD1 4.07Å; V609-L718 HydrophobicContact CG2-CD2 3.54Å; V609-L718 HydrophobicContact CG2-CG 4.41Å; V609-V724 HydrophobicContact CB-CG1 3.75Å; V609-V724 HydrophobicContact CG1-CG1 4.4Å; V609-V724 HydrophobicContact CG2-CG1 4.08Å; V609-C725 VanDerWaalsContact CA-O 3.25Å; V609-C725 WeakPolarHBondContact CA-O 3.29Å
610G90.6Very high84.4Confident0 Ų048.1 Ų48.10%025%0.253CS..EExtended strand (participates in β ladder)trans-159.1157.417500000113.4E612 L615 P650 V724 C725G610-E612 PolarHBondContact O-N 3.44Å; G610-L615 WeakPolarHBondContact O-CD1 3.48Å; G610-P650 WeakPolarHBondContact CA-O 3.33Å; G610-V724 CarbonylContact O-C 3.56Å; G610-V724 WeakPolarHBondContact O-CA 3.46Å; G610-C725 PolarHBondContact N-O 3Å; G610-C725 PolarHBondContact O-N 3.05Å
611L89.7Confident82.3Confident3 Ų346.8 Ų46.82%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-61.7129.1169.1-78.3169.6000110.5S613 K614 L615 P650 D719 G722 V724L611-S613 PolarHBondContact O-N 3.25Å; L611-K614 HydrophobicContact CB-CB 4.14Å; L611-K614 HydrophobicContact CB-CG 4.21Å; L611-K614 HydrophobicContact CD1-CG 4.39Å; L611-K614 PolarHBondContact O-N 2.88Å; L611-L615 WeakPolarHBondContact O-CB 3.21Å; L611-L615 WeakPolarHBondContact O-CG 3.31Å; L611-L615 PolarHBondContact O-N 3.41Å; L611-P650 HydrophobicContact CD1-CB 4.22Å; L611-P650 PolarHBondContact N-O 3.28Å; L611-D719 HydrophobicContact CD1-CB 3.71Å; L611-D719 WeakPolarHBondContact CD1-O 3.36Å; L611-D719 VanDerWaalsContact CD1-OD2 3.24Å; L611-D719 WeakPolarHBondContact CD1-OD2 3.35Å; L611-D719 WeakPolarHBondContact CD2-O 3.27Å; L611-D719 VanDerWaalsContact CG-O 3.25Å; L611-D719 WeakPolarHBondContact CG-O 3.27Å; L611-G722 WeakPolarHBondContact CD2-O 3.04Å; L611-V724 HydrophobicContact CD2-CG2 4.01Å
612E86.7Confident79.8Confident21 Ų2146.3 Ų46.310%0.09825%0.251CS..Hα-helixtrans-53.3-51.5-176.6-174.1-173.6161.800111.8G610 K614 L615 Q616 P723 I752 G753G610-E612 PolarHBondContact O-N 3.44Å; E612-K614 VanDerWaalsContact C-N 3.33Å; E612-K614 PolarHBondContact O-N 3.17Å; E612-L615 PolarHBondContact O-N 2.89Å; E612-Q616 VanDerWaalsContact O-CG 3.27Å; E612-Q616 WeakPolarHBondContact O-CG 3.42Å; E612-Q616 PolarHBondContact O-N 2.98Å; E612-Q616 PolarHBondContact OE1-NE2 3.37Å; E612-P723 HydrophobicContact CB-CB 4.35Å; E612-P723 PolarHBondContact N-O 3.34Å; E612-I752 HydrophobicContact CG-CG2 4.16Å; E612-I752 WeakPolarHBondContact OE1-CG2 3.31Å; E612-G753 PolarHBondContact OE1-N 3.14Å
613S83.2Confident77.5Confident56 Ų5652 Ų5239%0.39229%0.288SS..Hα-helixtrans-60.3-40.7-179.1540000112.6L611 Q616 E617L611-S613 PolarHBondContact O-N 3.25Å; S613-Q616 PolarHBondContact O-N 2.99Å; S613-E617 WeakPolarHBondContact O-CG 3.49Å; S613-E617 PolarHBondContact O-N 3.48Å
614K84.8Confident75Confident80 Ų8052.3 Ų52.335%0.34830%0.298SS..Hα-helixtrans-75.8-34.5-179.5-63.8-65.8170.2-161.70112.4L611 E612 Q616 E617 S618 P650 F651L611-K614 HydrophobicContact CB-CB 4.14Å; L611-K614 HydrophobicContact CB-CG 4.21Å; L611-K614 HydrophobicContact CD1-CG 4.39Å; L611-K614 PolarHBondContact O-N 2.88Å; E612-K614 VanDerWaalsContact C-N 3.33Å; E612-K614 PolarHBondContact O-N 3.17Å; K614-Q616 VanDerWaalsContact C-N 3.3Å; K614-E617 WeakPolarHBondContact CD-OE2 3.48Å; K614-E617 IonicContact NZ-OE1 3.1Å; K614-E617 IonicContact NZ-OE2 3.9Å; K614-E617 PolarHBondContact NZ-OE2 3.39Å; K614-E617 PolarHBondContact O-N 3.41Å; K614-S618 VanDerWaalsContact O-CB 3.28Å; K614-S618 WeakPolarHBondContact O-CB 3.3Å; K614-S618 PolarHBondContact O-N 2.83Å; K614-S618 PolarHBondContact O-OG 2.91Å; K614-P650 HydrophobicContact CB-CB 3.88Å; K614-P650 HydrophobicContact CG-CB 3.85Å; K614-F651 HydrophobicContact CB-CE1 3.61Å; K614-F651 HydrophobicContact CB-CZ 3.58Å; K614-F651 WeakPolarHBondContact O-CZ 3.12Å
615L80.5Confident72.7Confident4 Ų456.6 Ų56.62%0.02133%0.326CS..Hα-helixtrans-64.1-39.9172.7-74171.9000110L582 G610 L611 E612 F619 F651 F653 C725 A727L582-L615 HydrophobicContact CD2-CD1 3.85Å; G610-L615 WeakPolarHBondContact O-CD1 3.48Å; L611-L615 WeakPolarHBondContact O-CB 3.21Å; L611-L615 WeakPolarHBondContact O-CG 3.31Å; L611-L615 PolarHBondContact O-N 3.41Å; E612-L615 PolarHBondContact O-N 2.89Å; L615-F619 HydrophobicContact CD2-CD2 4.23Å; L615-F619 HydrophobicContact CD2-CE2 3.86Å; L615-F619 VanDerWaalsContact O-CD2 3.27Å; L615-F619 WeakPolarHBondContact O-CD2 3.34Å; L615-F619 PolarHBondContact O-N 2.82Å; L615-F651 HydrophobicContact CB-CE1 4.26Å; L615-F651 HydrophobicContact CD2-CD1 3.5Å; L615-F651 HydrophobicContact CD2-CE1 3.48Å; L615-F651 VanDerWaalsContact CD2-CE1 3.48Å; L615-F651 HydrophobicContact CD2-CG 4.44Å; L615-F651 HydrophobicContact CD2-CZ 4.37Å; L615-F651 HydrophobicContact CG-CD1 3.85Å; L615-F651 HydrophobicContact CG-CE1 3.58Å; L615-F653 HydrophobicContact CD2-CZ 4.26Å; L615-C725 HydrophobicContact CD1-CB 4.36Å; L615-A727 HydrophobicContact CD1-CB 4.02Å; L615-A727 HydrophobicContact CD2-CB 4.31Å
616Q70.8Confident69.7Low49 Ų4964 Ų6423%0.22936%0.364CS..Hα-helixtrans-63.2-51.5174.6-70.1172.8-2.600111.8W539 E612 S613 K614 S618 F619 Q620W539-Q616 HydrophobicContact CE3-CG 3.84Å; W539-Q616 HydrophobicContact CH2-CG 4.45Å; W539-Q616 VanDerWaalsContact CH2-NE2 3.27Å; W539-Q616 HydrophobicContact CZ3-CG 3.52Å; E612-Q616 VanDerWaalsContact O-CG 3.27Å; E612-Q616 WeakPolarHBondContact O-CG 3.42Å; E612-Q616 PolarHBondContact O-N 2.98Å; E612-Q616 PolarHBondContact OE1-NE2 3.37Å; S613-Q616 PolarHBondContact O-N 2.99Å; K614-Q616 VanDerWaalsContact C-N 3.3Å; Q616-S618 VanDerWaalsContact C-N 3.33Å; Q616-S618 PolarHBondContact O-N 3.33Å; Q616-F619 PolarHBondContact O-N 2.82Å; Q616-Q620 VanDerWaalsContact O-CB 3.24Å; Q616-Q620 WeakPolarHBondContact O-CB 3.27Å; Q616-Q620 WeakPolarHBondContact O-CG 3.37Å; Q616-Q620 PolarHBondContact O-N 3.11Å
617E74.8Confident66.8Low123 Ų12364.5 Ų64.558%0.57538%0.377SS*.Hα-helixtrans-58.6-42.4178.6-74.3171.2-167.400112.7S613 K614 F619S613-E617 WeakPolarHBondContact O-CG 3.49Å; S613-E617 PolarHBondContact O-N 3.48Å; K614-E617 WeakPolarHBondContact CD-OE2 3.48Å; K614-E617 IonicContact NZ-OE1 3.1Å; K614-E617 IonicContact NZ-OE2 3.9Å; K614-E617 PolarHBondContact NZ-OE2 3.39Å; K614-E617 PolarHBondContact O-N 3.41Å; E617-F619 PolarHBondContact O-N 3.35Å
618S70.4Confident64Low64 Ų6470.5 Ų70.545%0.44842%0.416SS..Hα-helixtrans-76.8-22.3-172.6-56.20000113.9K614 Q616 F651K614-S618 VanDerWaalsContact O-CB 3.28Å; K614-S618 WeakPolarHBondContact O-CB 3.3Å; K614-S618 PolarHBondContact O-N 2.83Å; K614-S618 PolarHBondContact O-OG 2.91Å; Q616-S618 VanDerWaalsContact C-N 3.33Å; Q616-S618 PolarHBondContact O-N 3.33Å; S618-F651 WeakPolarHBondContact OG-CZ 3.18Å
619F66.4Low61.3Low71 Ų7181.2 Ų81.231%0.31146%0.456SS..Hα-helixtrans-125-8.2-171.2-61-68.6000115.1V578 V580 L615 Q616 E617V578-F619 HydrophobicContact CG1-CE1 4.32Å; V580-F619 HydrophobicContact CG2-CB 4.46Å; V580-F619 HydrophobicContact CG2-CD1 3.66Å; V580-F619 HydrophobicContact CG2-CD2 4.13Å; V580-F619 HydrophobicContact CG2-CE1 3.83Å; V580-F619 HydrophobicContact CG2-CE2 4.31Å; V580-F619 HydrophobicContact CG2-CG 3.83Å; V580-F619 HydrophobicContact CG2-CZ 4.17Å; L615-F619 HydrophobicContact CD2-CD2 4.23Å; L615-F619 HydrophobicContact CD2-CE2 3.86Å; L615-F619 VanDerWaalsContact O-CD2 3.27Å; L615-F619 WeakPolarHBondContact O-CD2 3.34Å; L615-F619 PolarHBondContact O-N 2.82Å; Q616-F619 PolarHBondContact O-N 2.82Å; E617-F619 PolarHBondContact O-N 3.35Å
620Q59.4Low58.4Low117 Ų11791.7 Ų91.755%0.54750%0.497SS..Hα-helixtrans-92.5-13.8172.1-67.2-171.9-25.200114.3Q616 A622Q616-Q620 VanDerWaalsContact O-CB 3.24Å; Q616-Q620 WeakPolarHBondContact O-CB 3.27Å; Q616-Q620 WeakPolarHBondContact O-CG 3.37Å; Q616-Q620 PolarHBondContact O-N 3.11Å; Q620-A622 PolarHBondContact O-N 3.19Å
621G47.7Very low55.5Low53 Ų5398.2 Ų98.255%0.54653%0.532SS..SBendtrans-77.1114.7170.600000110.8P623G621-P623 WeakPolarHBondContact O-CD 3.46Å
622A38.3Very low53.6Low76 Ų76103.4 Ų103.463%0.62857%0.566SS**  trans-59.5123.9173.400000110.3Q620 D624Q620-A622 PolarHBondContact O-N 3.19Å; A622-D624 PolarHBondContact O-N 2.82Å
623P42.7Very low51.2Low123 Ų123109.7 Ų109.780%0.79960%0.6SS**  trans-79.968.1156.734.2-27.6000106.6G621 V625G621-P623 WeakPolarHBondContact O-CD 3.46Å; P623-V625 PolarHBondContact O-N 2.92Å
624D34.3Very low49.1Very low139 Ų139112.5 Ų112.574%0.74362%0.62SS**  trans-67.9116.1163.2-96.5-21.4000106.9A622 I626A622-D624 PolarHBondContact O-N 2.82Å; D624-I626 VanDerWaalsContact C-N 3.31Å; D624-I626 PolarHBondContact O-N 3.33Å
625V39.3Very low47.5Very low138 Ų138111.9 Ų111.984%0.83664%0.636SS**  trans-64.289.4178.9178.40000108.5P623P623-V625 PolarHBondContact O-N 2.92Å
626I28.8Very low45.4Very low154 Ų154120.7 Ų120.779%0.7968%0.677SS**  trans-115.2109.4157.4-57.1-179.9000107.3D624D624-I626 VanDerWaalsContact C-N 3.31Å; D624-I626 PolarHBondContact O-N 3.33Å
627S31.9Very low44.4Very low84 Ų84125.5 Ų125.559%0.58770%0.704SS**  trans-43.9141.8177.1170.70000114.6R629S627-R629 PolarHBondContact OG-N 2.82Å
628P35.7Very low43Very low126 Ų126125.2 Ų125.282%0.81872%0.715SS**  trans-96.1119.4135.918.5-1.7000108.8
629R38.4Very low41.9Very low225 Ų225125.8 Ų125.885%0.84973%0.731SS**  trans-70.2131.8162.9-60-177.8178.7-172.7-0.5108.2S627S627-R629 PolarHBondContact OG-N 2.82Å
630Y31.5Very low40.4Very low220 Ų220126.7 Ų126.786%0.86375%0.752SS**  179.7153.5113.9-140.7-102.8000111.8
631D30.6Very low40Very low137 Ų137130.6 Ų130.673%0.73377%0.77SS**  trans-57.2168.1-178.4-98.9-53.1000116.7
632P49.5Very low39.4Very low111 Ų111135.2 Ų135.272%0.72178%0.782SS**  trans-87.1127.3-174.535.1-29.7000111.3
633D36.3Very low39.6Very low154 Ų154136.5 Ų136.582%0.82479%0.793SS**  -179151.2129.9-134.3-21.1000110.7
634S39.4Very low39.3Very low114 Ų114136.9 Ų136.980%0.79779%0.793SS**  trans131.689.7160.2-59.10000110.5
635G52Low39.7Very low67 Ų67136.7 Ų136.769%0.69180%0.797SS**  trans-58.9139.3161.700000110.9
636H35.6Very low40.1Very low189 Ų189139.4 Ų139.488%0.87580%0.801SS**  trans-155.7122.2140.6-110.1-68.4000109.4
637D49Very low41.7Very low151 Ų151136.3 Ų136.381%0.80780%0.798SS**  trans-55.2130.8165.1-164.311.4000110.2
638S46.4Very low43.8Very low116 Ų116135 Ų13581%0.81179%0.789SS**  trans-165.2106158.6-78.40000109.3
639G47.6Very low46.1Very low76 Ų76131.5 Ų131.578%0.78477%0.766SS**  trans-61.3143.2166.700000112
640A34.1Very low48.4Very low90 Ų90123 Ų12374%0.74474%0.74SS**  trans-143.892.5154.500000106.4D642A640-D642 PolarHBondContact O-N 3.19Å
641E51.2Low51.2Low200 Ų200114.8 Ų114.894%0.93571%0.709SS**  trans-66112.5147.4-62.5-164.314400105.4
642D34.2Very low54.1Low149 Ų149108.5 Ų108.580%0.79768%0.676SS**  trans-139.9126164.5-111.7-22.3000110.4A640 T644A640-D642 PolarHBondContact O-N 3.19Å; D642-T644 PolarHBondContact O-N 2.85Å
643A43.3Very low56Low103 Ų103105.4 Ų105.485%0.85165%0.651SS**  trans-64.2108.4-175.600000111.3
644T36.1Very low58.7Low131 Ų13198.1 Ų98.180%0.80461%0.612SS**  trans-98113159.356.20000108.4D642 E646D642-T644 PolarHBondContact O-N 2.85Å; T644-E646 PolarHBondContact O-N 3.11Å
645V42.2Very low61.3Low135 Ų13594 Ų9482%0.81858%0.583SS**  trans-18.1121.2162.3-179.30000111.5A647V645-A647 PolarHBondContact O-N 3.26Å
646E47.6Very low63.3Low196 Ų19691 Ų9192%0.91655%0.55SS**  trans-58.480.9175.8-77.6-175.7147.100110.5T644 S648T644-E646 PolarHBondContact O-N 3.11Å; E646-S648 PolarHBondContact O-N 2.92Å
647A63.1Low65.8Low88 Ų8882.4 Ų82.473%0.72751%0.513SS*.PPolyproline II helixtrans-72125.2167.400000107.3V645V645-A647 PolarHBondContact O-N 3.26Å
648S75.6Confident67.7Low57 Ų5782 Ų8240%0.39951%0.508SS..PPolyproline II helixtrans-53.2141173.7-64.30000110.2E646E646-S648 PolarHBondContact O-N 2.92Å
649P85.4Confident69.7Low53 Ų5377.5 Ų77.534%0.34448%0.479SS..PPolyproline II helixtrans-67.3145.3-176.928.2-34.5000110.6F651 P717 D719P649-F651 PolarHBondContact O-N 3.04Å; P649-P717 HydrophobicContact CG-CG 4.36Å; P649-P717 VanDerWaalsContact CG-O 3.32Å; P649-P717 WeakPolarHBondContact CG-O 3.45Å; P649-D719 PolarHBondContact O-N 3.42Å
650P85.6Confident71.8Confident46 Ų4679.4 Ų79.430%0.29947%0.466SS..SBendtrans-71.3-12-179.428.5-35.3000113.5G610 L611 K614G610-P650 WeakPolarHBondContact CA-O 3.33Å; L611-P650 HydrophobicContact CD1-CB 4.22Å; L611-P650 PolarHBondContact N-O 3.28Å; K614-P650 HydrophobicContact CB-CB 3.88Å; K614-P650 HydrophobicContact CG-CB 3.85Å
651F89.5Confident74.6Confident48 Ų4875.1 Ų75.121%0.21143%0.431CS..EExtended strand (participates in β ladder)trans-138.5146.6-179.9-38.8-62.4000111.1V609 K614 L615 S618 P649 F653V609-F651 WeakPolarHBondContact O-CA 3.32Å; K614-F651 HydrophobicContact CB-CE1 3.61Å; K614-F651 HydrophobicContact CB-CZ 3.58Å; K614-F651 WeakPolarHBondContact O-CZ 3.12Å; L615-F651 HydrophobicContact CB-CE1 4.26Å; L615-F651 HydrophobicContact CD2-CD1 3.5Å; L615-F651 HydrophobicContact CD2-CE1 3.48Å; L615-F651 VanDerWaalsContact CD2-CE1 3.48Å; L615-F651 HydrophobicContact CD2-CG 4.44Å; L615-F651 HydrophobicContact CD2-CZ 4.37Å; L615-F651 HydrophobicContact CG-CD1 3.85Å; L615-F651 HydrophobicContact CG-CE1 3.58Å; S618-F651 WeakPolarHBondContact OG-CZ 3.18Å; P649-F651 PolarHBondContact O-N 3.04Å; F651-F653 HydrophobicContact CB-CD2 3.85Å; F651-F653 HydrophobicContact CB-CE2 3.56Å; F651-F653 HydrophobicContact CG-CE2 4.09Å
652A91.5Very high76.4Confident5 Ų569.9 Ų69.94%0.04141%0.409CS..EExtended strand (participates in β ladder)trans-131111171.400000109.4G608 V609 V702 C716 L718G608-A652 WeakPolarHBondContact CA-O 3.37Å; V609-A652 HydrophobicContact CG2-CB 4.29Å; V609-A652 PolarHBondContact N-O 2.85Å; V609-A652 PolarHBondContact O-N 3.39Å; A652-V702 HydrophobicContact CB-CB 4.25Å; A652-V702 HydrophobicContact CB-CG2 4.17Å; A652-C716 HydrophobicContact CB-CB 3.96Å; A652-L718 HydrophobicContact CB-CD1 3.99Å
653F91.3Very high78.7Confident45 Ų4564.3 Ų64.320%0.19738%0.379CS..EExtended strand (participates in β ladder)trans-124.1136.5-176.6-72.6-69.6000112.4K606 L615 F651 A727K606-F653 HydrophobicContact CB-CB 4.13Å; K606-F653 HydrophobicContact CB-CD1 4.03Å; K606-F653 HydrophobicContact CB-CG 4.19Å; K606-F653 HydrophobicContact CD-CB 4.45Å; L615-F653 HydrophobicContact CD2-CZ 4.26Å; F651-F653 HydrophobicContact CB-CD2 3.85Å; F651-F653 HydrophobicContact CB-CE2 3.56Å; F651-F653 HydrophobicContact CG-CE2 4.09Å; F653-A727 HydrophobicContact CE1-CB 3.68Å; F653-A727 HydrophobicContact CZ-CB 3.75Å
654L92.7Very high79.5Confident1 Ų161.7 Ų61.71%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-93123.6165.8-166.970.8000109.5K606 V607 I661 L663 L691 F704 L714K606-L654 WeakPolarHBondContact CA-O 3.18Å; V607-L654 PolarHBondContact N-O 3.31Å; V607-L654 PolarHBondContact O-N 3.38Å; L654-I661 HydrophobicContact CD1-CG2 3.54Å; L654-I661 HydrophobicContact CD2-CD1 4.13Å; L654-I661 HydrophobicContact CD2-CG1 4.22Å; L654-I661 HydrophobicContact CD2-CG2 3.88Å; L654-I661 HydrophobicContact CG-CG2 3.73Å; L654-L663 HydrophobicContact CD1-CD2 4.49Å; L654-L691 HydrophobicContact CD2-CD1 3.71Å; L654-L691 HydrophobicContact CD2-CD2 3.89Å; L654-L691 HydrophobicContact CD2-CG 4.46Å; L654-F704 HydrophobicContact CB-CD1 3.7Å; L654-F704 HydrophobicContact CB-CD2 4.29Å; L654-F704 HydrophobicContact CB-CE1 3.63Å; L654-F704 HydrophobicContact CB-CE2 4.22Å; L654-F704 HydrophobicContact CB-CG 4.04Å; L654-F704 HydrophobicContact CB-CZ 3.9Å; L654-F704 HydrophobicContact CD1-CD2 4.45Å; L654-F704 HydrophobicContact CD1-CG 4.4Å; L654-F704 HydrophobicContact CD2-CB 4.07Å; L654-F704 HydrophobicContact CD2-CD1 3.97Å; L654-F704 HydrophobicContact CD2-CG 4.06Å; L654-F704 HydrophobicContact CG-CD1 4.38Å; L654-F704 HydrophobicContact CG-CG 4.41Å; L654-L714 HydrophobicContact CD1-CB 4.14Å; L654-L714 HydrophobicContact CD1-CD2 3.62Å
655T92.4Very high79.9Confident29 Ų2961.4 Ų61.418%0.17837%0.365CS..EExtended strand (participates in β ladder)trans-92.1126.6-179.1-590000110.4L604 K606 L662L604-T655 HydrophobicContact CD1-CG2 3.66Å; L604-T655 HydrophobicContact CG-CG2 4.21Å; K606-T655 HydrophobicContact CG-CG2 4.45Å; T655-L662 PolarHBondContact O-N 3.26Å
656I94.1Very high80Confident2 Ų258.4 Ų58.41%0.0136%0.362CS..EExtended strand (participates in β ladder)trans-127.5134.3-174.6-57.9163.4000108.5V598 L604 V605 V607 K660 I661 L687 L691V598-I656 HydrophobicContact CB-CD1 4.36Å; V598-I656 HydrophobicContact CG1-CG2 4.08Å; V598-I656 HydrophobicContact CG2-CD1 3.72Å; L604-I656 CarbonylContact C-O 3.55Å; L604-I656 WeakPolarHBondContact CA-O 3.29Å; V605-I656 PolarHBondContact N-O 2.86Å; V605-I656 PolarHBondContact O-N 3.01Å; V607-I656 HydrophobicContact CB-CD1 4.44Å; V607-I656 HydrophobicContact CG2-CD1 3.98Å; I656-K660 CarbonylContact C-O 3.59Å; I656-K660 VanDerWaalsContact CA-O 3.3Å; I656-K660 WeakPolarHBondContact CA-O 3.26Å; I656-I661 HydrophobicContact CG1-CG1 4.1Å; I656-L687 HydrophobicContact CD1-CD1 3.98Å; I656-L687 HydrophobicContact CG1-CD1 4.3Å; I656-L687 HydrophobicContact CG2-CD1 3.79Å; I656-L687 HydrophobicContact CG2-CD2 3.99Å; I656-L687 HydrophobicContact CG2-CG 4.4Å; I656-L691 HydrophobicContact CD1-CD2 3.9Å
657G89.8Confident79.4Confident9 Ų951.3 Ų51.39%0.09334%0.337CS..EExtended strand (participates in β ladder)trans-159.9141.2173.800000111.1Y603 G659 K660Y603-G657 VanDerWaalsContact O-CA 3.24Å; Y603-G657 WeakPolarHBondContact O-CA 3.34Å; G657-G659 VanDerWaalsContact C-N 3.26Å; G657-G659 PolarHBondContact O-N 2.91Å; G657-K660 PolarHBondContact N-O 3.45Å; G657-K660 PolarHBondContact O-N 2.89Å
658M87.3Confident78Confident144 Ų14453.1 Ų53.171%0.70934%0.344SS*.THydrogen-bonded Turntrans53.641.7176.4-53.9161.3-78.100113P600 S602 K660P600-M658 CarbonylContact O-C 3.6Å; S602-M658 PolarHBondContact O-N 2.76Å; M658-K660 PolarHBondContact O-N 3.17Å
659G89.1Confident76.1Confident20 Ų2054.9 Ų54.921%0.20636%0.356CS..THydrogen-bonded Turntrans69.515.2-17900000115.2P600 G657 L687P600-G659 PolarHBondContact O-N 3.12Å; G657-G659 VanDerWaalsContact C-N 3.26Å; G657-G659 PolarHBondContact O-N 2.91Å; G659-L687 VanDerWaalsContact O-CB 3.28Å; G659-L687 WeakPolarHBondContact O-CB 3.45Å; G659-L687 PolarHBondContact O-N 2.97Å
660K92.1Very high73.5Confident116 Ų11661 Ų6150%0.50439%0.386SS..EExtended strand (participates in β ladder)trans-125.5148.8178.9-62.5-179.7-176.6178.70111.6I656 G657 M658 V685I656-K660 CarbonylContact C-O 3.59Å; I656-K660 VanDerWaalsContact CA-O 3.3Å; I656-K660 WeakPolarHBondContact CA-O 3.26Å; G657-K660 PolarHBondContact N-O 3.45Å; G657-K660 PolarHBondContact O-N 2.89Å; M658-K660 PolarHBondContact O-N 3.17Å; K660-V685 CarbonylContact C-O 3.52Å; K660-V685 WeakPolarHBondContact CA-O 3.28Å
661I92.4Very high71Confident1 Ų162 Ų621%0.00540%0.398CS..EExtended strand (participates in β ladder)trans-99134.1171.7-66.1163.4000108.2L654 I656 L663 T684 V685 L687 L713L654-I661 HydrophobicContact CD1-CG2 3.54Å; L654-I661 HydrophobicContact CD2-CD1 4.13Å; L654-I661 HydrophobicContact CD2-CG1 4.22Å; L654-I661 HydrophobicContact CD2-CG2 3.88Å; L654-I661 HydrophobicContact CG-CG2 3.73Å; I656-I661 HydrophobicContact CG1-CG1 4.1Å; I661-L663 HydrophobicContact CG2-CD2 3.97Å; I661-T684 CarbonylContact O-C 3.58Å; I661-T684 WeakPolarHBondContact O-CA 3.26Å; I661-T684 WeakPolarHBondContact O-CB 3.39Å; I661-V685 PolarHBondContact N-O 2.95Å; I661-V685 PolarHBondContact O-N 3.3Å; I661-L687 HydrophobicContact CD1-CD1 4.3Å; I661-L687 HydrophobicContact CG1-CD1 4.18Å; I661-L713 HydrophobicContact CD1-CD1 3.94Å
662L88.4Confident68.4Low89 Ų8963.7 Ų63.747%0.46643%0.429SS..EExtended strand (participates in β ladder)trans-92.8119.2172.3-177.667.8000110.3T655 T684T655-L662 PolarHBondContact O-N 3.26Å; L662-T684 HydrophobicContact CD1-CG2 4.05Å
663L83.1Confident65.6Low32 Ų3271 Ų7117%0.16847%0.467CS..PPolyproline II helixtrans-97.2122.6171.8-54.7176.4000109.1L654 I661 C683 V685 L714L654-L663 HydrophobicContact CD1-CD2 4.49Å; I661-L663 HydrophobicContact CG2-CD2 3.97Å; L663-C683 VanDerWaalsContact CB-O 3.28Å; L663-C683 WeakPolarHBondContact CB-O 3.28Å; L663-C683 PolarHBondContact N-O 2.97Å; L663-V685 HydrophobicContact CD1-CG2 3.53Å; L663-V685 HydrophobicContact CG-CG2 4.28Å; L663-L714 HydrophobicContact CD2-CB 4.17Å; L663-L714 HydrophobicContact CD2-CD1 4.5Å
664G61Low62.7Low49 Ų4976.1 Ų76.151%0.50550%0.502SS..PPolyproline II helixtrans-69.6159-178.300000113.5G666 A667G664-G666 PolarHBondContact O-N 2.83Å; G664-A667 PolarHBondContact O-N 3.48Å
665S44.5Very low59.8Low124 Ų12479.8 Ų79.887%0.86754%0.54SS*.THydrogen-bonded Turntrans-687.6-175.7-167.90000115.8
666G42.8Very low57.1Low73 Ų7389.9 Ų89.975%0.75358%0.575SS**THydrogen-bonded Turntrans-122.67.9-178.500000114.8G664 S668G664-G666 PolarHBondContact O-N 2.83Å; G666-S668 PolarHBondContact O-N 2.9Å
667A36.7Very low54.1Low46 Ų4697.7 Ų97.738%0.3862%0.616SS.*  trans-74.7111.7177.100000109.8G664 S669 L714G664-A667 PolarHBondContact O-N 3.48Å; A667-S669 VanDerWaalsContact C-N 3.26Å; A667-S669 PolarHBondContact O-N 3.27Å; A667-L714 HydrophobicContact CB-CD1 3.65Å
668S34Very low51.3Low126 Ų126100.2 Ų100.288%0.88164%0.642SS**  trans-63.685.4170.922.70000110G666 N670G666-S668 PolarHBondContact O-N 2.9Å; S668-N670 PolarHBondContact O-N 2.87Å
669S34Very low48.9Very low94 Ų94100.2 Ų100.266%0.65765%0.653SS**  trans-73.4107.4175.558.80000110A667 A671A667-S669 VanDerWaalsContact C-N 3.26Å; A667-S669 PolarHBondContact O-N 3.27Å; S669-A671 PolarHBondContact O-N 3.35Å
670N30.9Very low46.3Very low183 Ų183103.3 Ų103.398%0.97968%0.676SS**  trans-72.357.8158.4-106.9-2.4000110.1S668S668-N670 PolarHBondContact O-N 2.87Å
671A34.7Very low43.8Very low65 Ų65102.3 Ų102.354%0.53769%0.69SS.*  trans-117.6105171.900000107.8S669 L673S669-A671 PolarHBondContact O-N 3.35Å; A671-L673 PolarHBondContact O-N 3.36Å
672G33.6Very low42Very low84 Ų84104 Ų10487%0.86671%0.708SS**  trans-63.5102.1171.300000110.1
673L33.3Very low41.5Very low159 Ų159104 Ų10483%0.83272%0.715SS**  trans-134.6113.8164.5-71.5174.2000108.1A671A671-L673 PolarHBondContact O-N 3.36Å
674T31Very low41.6Very low153 Ų153106.1 Ų106.194%0.93973%0.729SS**  trans-80.2112.7172.440.80000108.5
675G31.7Very low43Very low77 Ų77106.1 Ų106.179%0.79472%0.719SS**  trans-176.4114.517700000110.7
676R35.8Very low45.2Very low242 Ų242105 Ų10591%0.91371%0.709SS**  trans-91.2112.3-174.1170.5-179.7166.6-175.4-3.2108.6
677D31.2Very low47.5Very low166 Ų166102.8 Ų102.889%0.88868%0.679SS**  trans-168.7151153-85.9-32.8000110.1
678G30Very low50.2Low62 Ų62101.5 Ų101.564%0.63967%0.667SS**  trans-63.8-175.3-166.700000117.8A680G678-A680 PolarHBondContact O-N 3.48Å
679P37Very low52.8Low143 Ų143100.3 Ų100.393%0.92966%0.657SS**  trans-68.8106.4-151.130.5-34.1000111.9
680A34.7Very low55.6Low85 Ų8599.6 Ų99.670%0.70264%0.639SS**  trans-90.5124.517700000110.7G678G678-A680 PolarHBondContact O-N 3.48Å
681A39.3Very low58.6Low95 Ų9591 Ų9179%0.78559%0.593SS**  trans-51144.417200000113.4
682G53.8Low61.5Low38 Ų3887.9 Ų87.939%0.39257%0.568SS.*  trans7.7107.317300000119T684G682-T684 PolarHBondContact O-N 2.89Å
683C77.6Confident64.4Low89 Ų8983.9 Ų83.960%0.60153%0.526SS*.  trans-72.6122171.7-71.20000111L663L663-C683 VanDerWaalsContact CB-O 3.28Å; L663-C683 WeakPolarHBondContact CB-O 3.28Å; L663-C683 PolarHBondContact N-O 2.97Å
684T86.2Confident67.4Low76 Ų7677 Ų7747%0.46649%0.492SS..EExtended strand (participates in β ladder)trans-98.414317162.90000112.1I661 L662 G682I661-T684 CarbonylContact O-C 3.58Å; I661-T684 WeakPolarHBondContact O-CA 3.26Å; I661-T684 WeakPolarHBondContact O-CB 3.39Å; L662-T684 HydrophobicContact CD1-CG2 4.05Å; G682-T684 PolarHBondContact O-N 2.89Å
685V90.3Very high70.5Confident48 Ų4869.8 Ų69.829%0.29145%0.447SS..EExtended strand (participates in β ladder)trans-121.5146.7177.5177.50000109.7K660 I661 L663K660-V685 CarbonylContact C-O 3.52Å; K660-V685 WeakPolarHBondContact CA-O 3.28Å; I661-V685 PolarHBondContact N-O 2.95Å; I661-V685 PolarHBondContact O-N 3.3Å; L663-V685 HydrophobicContact CD1-CG2 3.53Å; L663-V685 HydrophobicContact CG-CG2 4.28Å
686P91.3Very high73.4Confident101 Ų10167 Ų6766%0.65641%0.414SS*.EExtended strand (participates in β ladder)trans-58.8141.2174.324.4-35.9000112.2
687L91.5Very high76.1Confident27 Ų2757.2 Ų57.214%0.14138%0.377CS..PPolyproline II helixtrans-67.5122.8174.4179.568.1000110V598 P600 I656 G659 I661V598-L687 HydrophobicContact CB-CD1 4.46Å; V598-L687 HydrophobicContact CB-CD2 4.1Å; V598-L687 WeakPolarHBondContact O-CD2 3.46Å; P600-L687 HydrophobicContact CG-CD2 4.47Å; I656-L687 HydrophobicContact CD1-CD1 3.98Å; I656-L687 HydrophobicContact CG1-CD1 4.3Å; I656-L687 HydrophobicContact CG2-CD1 3.79Å; I656-L687 HydrophobicContact CG2-CD2 3.99Å; I656-L687 HydrophobicContact CG2-CG 4.4Å; G659-L687 VanDerWaalsContact O-CB 3.28Å; G659-L687 WeakPolarHBondContact O-CB 3.45Å; G659-L687 PolarHBondContact O-N 2.97Å; I661-L687 HydrophobicContact CD1-CD1 4.3Å; I661-L687 HydrophobicContact CG1-CD1 4.18Å
688P92.1Very high79Confident18 Ų1855.8 Ų55.812%0.11737%0.365CS..PPolyproline II helixtrans-66.9159.5173.529-37000111.4R690 D706 L713P688-R690 PolarHBondContact O-N 2.88Å; P688-R690 VanDerWaalsContact O-N 3.13Å; P688-D706 HydrophobicContact CB-CB 4.12Å; P688-D706 HydrophobicContact CG-CB 4.44Å; P688-L713 HydrophobicContact CG-CD1 4.11Å
689P90Very high81.9Confident102 Ų10261.2 Ų61.266%0.66237%0.367SS*.SBendtrans-55.9-31.5176-24.433.5000113.3
690R91.5Very high84.4Confident78 Ų7855.1 Ų55.129%0.29433%0.33SS..SBendtrans-140.1129.5175.1-67.2-172.3-64.8-97.53.4109.9P688 A707P688-R690 PolarHBondContact O-N 2.88Å; P688-R690 VanDerWaalsContact O-N 3.13Å; R690-A707 HydrophobicContact CB-CB 3.75Å; R690-A707 WeakPolarHBondContact O-CB 3.34Å; R690-A707 PolarHBondContact O-N 3.48Å
691L94.7Very high87.2Confident2 Ų256.5 Ų56.51%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-95.1122173.9-177.470.3000109.2A595 C596 V607 L654 I656 I693 F704 L713A595-L691 CarbonylContact C-O 3.57Å; A595-L691 VanDerWaalsContact CA-O 3.24Å; A595-L691 WeakPolarHBondContact CA-O 3.33Å; C596-L691 PolarHBondContact N-O 3.01Å; C596-L691 PolarHBondContact O-N 3.33Å; V607-L691 HydrophobicContact CB-CD2 4.13Å; V607-L691 HydrophobicContact CG1-CD2 4.08Å; L654-L691 HydrophobicContact CD2-CD1 3.71Å; L654-L691 HydrophobicContact CD2-CD2 3.89Å; L654-L691 HydrophobicContact CD2-CG 4.46Å; I656-L691 HydrophobicContact CD1-CD2 3.9Å; L691-I693 HydrophobicContact CD2-CD1 4.27Å; L691-I693 HydrophobicContact CG-CD1 4.17Å; L691-F704 HydrophobicContact CD1-CB 4.44Å; L691-F704 HydrophobicContact CD2-CD1 4.47Å; L691-L713 HydrophobicContact CD1-CD1 3.66Å
692G94.4Very high89.8Confident0 Ų052 Ų520%028%0.279CS..EExtended strand (participates in β ladder)trans-93.5139.6171.200000110.9W594 F704 L705W594-G692 WeakPolarHBondContact O-CA 3.34Å; G692-F704 CarbonylContact O-C 3.57Å; G692-F704 WeakPolarHBondContact O-CA 3.22Å; G692-L705 PolarHBondContact N-O 3.02Å; G692-L705 PolarHBondContact O-N 3.22Å
693I96.2Very high91.7Very high0 Ų051.7 Ų51.70%027%0.271CS..EExtended strand (participates in β ladder)trans-122.5124.4174.7-57.683.5000106.9Y593 W594 V607 L691 V702 F704Y593-I693 CarbonylContact C-O 3.59Å; Y593-I693 VanDerWaalsContact CA-O 3.26Å; Y593-I693 WeakPolarHBondContact CA-O 3.42Å; Y593-I693 VanDerWaalsContact CD2-O 3.3Å; Y593-I693 WeakPolarHBondContact CD2-O 3.47Å; W594-I693 HydrophobicContact CD2-CB 4.15Å; W594-I693 HydrophobicContact CH2-CB 4.34Å; W594-I693 HydrophobicContact CH2-CG2 3.73Å; W594-I693 HydrophobicContact CZ2-CB 3.79Å; W594-I693 HydrophobicContact CZ2-CG1 4.46Å; W594-I693 HydrophobicContact CZ2-CG2 3.43Å; W594-I693 VanDerWaalsContact CZ2-CG2 3.43Å; W594-I693 HydrophobicContact CZ3-CG2 4.42Å; W594-I693 PolarHBondContact N-O 3.49Å; W594-I693 PolarHBondContact O-N 3.28Å; V607-I693 HydrophobicContact CG1-CD1 3.92Å; V607-I693 HydrophobicContact CG1-CG1 4.28Å; L691-I693 HydrophobicContact CD2-CD1 4.27Å; L691-I693 HydrophobicContact CG-CD1 4.17Å; I693-V702 HydrophobicContact CG2-CG1 3.86Å; I693-F704 HydrophobicContact CG1-CD1 3.9Å; I693-F704 HydrophobicContact CG1-CE1 3.95Å; I693-F704 HydrophobicContact CG2-CE1 4.34Å
694C95.6Very high92.6Very high16 Ų1647.4 Ų47.411%0.10824%0.243CC..EExtended strand (participates in β ladder)trans-119.1113176.7-171.30000109.2P527 S592 Y593 V702 S703 L705P527-C694 HydrophobicContact CG-CB 4.46Å; S592-C694 CarbonylContact O-C 3.56Å; S592-C694 WeakPolarHBondContact O-CA 3.38Å; Y593-C694 HydrophobicContact CD2-CB 4.12Å; C694-V702 WeakPolarHBondContact O-CA 3.14Å; C694-S703 PolarHBondContact N-O 3.18Å; C694-S703 PolarHBondContact O-N 3.36Å; C694-L705 HydrophobicContact CB-CD1 3.75Å
695L95.2Very high92.9Very high0 Ų044.7 Ų44.70%023%0.225CC..EExtended strand (participates in β ladder)trans-93.9126.8172.917365000109.2V587 R591 S592 W594 V702 L718 V724V587-L695 HydrophobicContact CB-CD2 3.7Å; V587-L695 HydrophobicContact CG1-CD2 3.83Å; V587-L695 HydrophobicContact CG2-CD2 4.01Å; R591-L695 CarbonylContact C-O 3.58Å; R591-L695 VanDerWaalsContact CA-O 3.25Å; R591-L695 WeakPolarHBondContact CA-O 3.5Å; S592-L695 PolarHBondContact N-O 3.01Å; S592-L695 PolarHBondContact O-N 3.01Å; W594-L695 HydrophobicContact CH2-CB 4.35Å; W594-L695 HydrophobicContact CZ3-CB 4.25Å; L695-V702 HydrophobicContact CD1-CG2 3.65Å; L695-L718 HydrophobicContact CD1-CD2 3.7Å; L695-V724 HydrophobicContact CD1-CG1 4.33Å; L695-V724 HydrophobicContact CD2-CB 4.05Å; L695-V724 HydrophobicContact CD2-CG1 3.68Å
696D94.1Very high93Very high18 Ų1843.9 Ų43.910%0.09622%0.219CC..EExtended strand (participates in β ladder)trans-11095.1167.6-170-18.2000108.1R591 E698 R699 G700 R701R591-D696 HydrophobicContact CG-CB 4.12Å; R591-D696 IonicContact CZ-OD2 3.26Å; R591-D696 IonicContact NE-OD1 2.77Å; R591-D696 IonicContact NE-OD2 2.79Å; R591-D696 PolarHBondContact NE-OD2 3.15Å; R591-D696 IonicContact NH2-OD2 2.85Å; R591-D696 PolarHBondContact NH2-OD2 3.35Å; D696-E698 VanDerWaalsContact C-N 3.33Å; D696-E698 PolarHBondContact O-N 3.02Å; D696-E698 PolarHBondContact OD1-N 2.79Å; D696-R699 HydrophobicContact CB-CB 4.19Å; D696-R699 PolarHBondContact O-N 3.22Å; D696-R699 PolarHBondContact OD1-N 3.35Å; D696-R699 WeakPolarHBondContact OD2-CD 3.41Å; D696-R699 WeakPolarHBondContact OD2-CG 3.36Å; D696-R699 IonicContact OD2-NE 3.37Å; D696-G700 PolarHBondContact O-N 2.96Å; D696-R701 PolarHBondContact N-O 3.47Å; D696-R701 PolarHBondContact O-N 2.72Å; D696-R701 VanDerWaalsContact O-N 3.15Å
697Y92Very high92.8Very high37 Ų3739.5 Ų39.515%0.14519%0.192CC..THydrogen-bonded Turntrans-61.9-43.4-174.5-170.5-84.8000111V587 T588 G590 R699 G700 C720 G722 V724V587-Y697 HydrophobicContact CG1-CD2 4.36Å; V587-Y697 WeakPolarHBondContact O-CE2 3.39Å; T588-Y697 WeakPolarHBondContact O-CD1 3.33Å; T588-Y697 WeakPolarHBondContact O-CE1 3.49Å; T588-Y697 VanDerWaalsContact O-CZ 3.24Å; G590-Y697 WeakPolarHBondContact O-CB 3.3Å; G590-Y697 PolarHBondContact O-N 3.34Å; Y697-R699 VanDerWaalsContact C-N 3.32Å; Y697-R699 PolarHBondContact O-N 3.46Å; Y697-G700 PolarHBondContact O-N 3.05Å; Y697-C720 HydrophobicContact CD1-CB 4.18Å; Y697-C720 HydrophobicContact CD2-CB 3.99Å; Y697-C720 HydrophobicContact CE1-CB 4.02Å; Y697-C720 HydrophobicContact CE2-CB 3.85Å; Y697-C720 HydrophobicContact CG-CB 4.16Å; Y697-C720 VanDerWaalsContact CZ-O 3.23Å; Y697-C720 PolarHBondContact O-SG 2.98Å; Y697-C720 PolarHBondContact OH-O 3.03Å; Y697-G722 WeakPolarHBondContact CE2-O 3.16Å; Y697-G722 PolarHBondContact OH-O 2.75Å; Y697-V724 HydrophobicContact CD2-CG2 4.26Å; Y697-V724 HydrophobicContact CE2-CG2 4.02Å
698E91.3Very high92.4Very high136 Ų13642 Ų4264%0.63621%0.207SC*.THydrogen-bonded Turntrans-65-35.1-178.2-55.9-56.2145.100112.6G590 D696G590-E698 PolarHBondContact N-OE1 3.49Å; G590-E698 VanDerWaalsContact N-OE1 3.09Å; D696-E698 VanDerWaalsContact C-N 3.33Å; D696-E698 PolarHBondContact O-N 3.02Å; D696-E698 PolarHBondContact OD1-N 2.79Å
699R90.6Very high91.9Very high177 Ų17744 Ų4467%0.66822%0.222SC*.THydrogen-bonded Turntrans-88.7-7.2177.6-65.7-168.7178.9-168-5.6113.8D696 Y697 R701D696-R699 HydrophobicContact CB-CB 4.19Å; D696-R699 PolarHBondContact O-N 3.22Å; D696-R699 PolarHBondContact OD1-N 3.35Å; D696-R699 WeakPolarHBondContact OD2-CD 3.41Å; D696-R699 WeakPolarHBondContact OD2-CG 3.36Å; D696-R699 IonicContact OD2-NE 3.37Å; Y697-R699 VanDerWaalsContact C-N 3.32Å; Y697-R699 PolarHBondContact O-N 3.46Å; R699-R701 VanDerWaalsContact C-N 3.33Å; R699-R701 PolarHBondContact O-N 3.36Å
700G90.8Very high91.6Very high15 Ų1541.1 Ų41.116%0.15520%0.199CC..THydrogen-bonded Turntrans59.941.7-174.400000112.6D696 Y697 P717 L718D696-G700 PolarHBondContact O-N 2.96Å; Y697-G700 PolarHBondContact O-N 3.05Å; G700-P717 CarbonylContact O-C 3.58Å; G700-P717 WeakPolarHBondContact O-CA 3.2Å; G700-L718 CarbonylContact C-O 3.57Å; G700-L718 WeakPolarHBondContact CA-O 3.28Å; G700-L718 PolarHBondContact O-N 3.19Å
701R92.8Very high91.4Very high114 Ų11446.3 Ų46.343%0.4322%0.219SC..EExtended strand (participates in β ladder)trans-135.2147.7-175.5-71.7-176.7-174.1-101.7-7.9112.9D696 R699 E715 C716D696-R701 PolarHBondContact N-O 3.47Å; D696-R701 PolarHBondContact O-N 2.72Å; D696-R701 VanDerWaalsContact O-N 3.15Å; R699-R701 VanDerWaalsContact C-N 3.33Å; R699-R701 PolarHBondContact O-N 3.36Å; R701-E715 WeakPolarHBondContact CD-OE1 3.38Å; R701-C716 WeakPolarHBondContact CA-O 3.46Å
702V94.1Very high91Very high0 Ų048.8 Ų48.80%024%0.244CC..EExtended strand (participates in β ladder)trans-126.3124.1176-178.10000108.6V609 A652 I693 C694 L695 F704 E715 C716 L718V609-V702 HydrophobicContact CG2-CB 4.33Å; V609-V702 HydrophobicContact CG2-CG1 4.17Å; V609-V702 HydrophobicContact CG2-CG2 3.33Å; A652-V702 HydrophobicContact CB-CB 4.25Å; A652-V702 HydrophobicContact CB-CG2 4.17Å; I693-V702 HydrophobicContact CG2-CG1 3.86Å; C694-V702 WeakPolarHBondContact O-CA 3.14Å; L695-V702 HydrophobicContact CD1-CG2 3.65Å; V702-F704 HydrophobicContact CG1-CE2 4.01Å; V702-F704 HydrophobicContact CG1-CZ 4.02Å; V702-E715 CarbonylContact O-C 3.55Å; V702-E715 WeakPolarHBondContact O-CA 3.44Å; V702-C716 PolarHBondContact N-O 3.5Å; V702-C716 PolarHBondContact O-N 3.25Å; V702-L718 HydrophobicContact CG2-CB 4Å; V702-L718 HydrophobicContact CG2-CD2 3.78Å; V702-L718 HydrophobicContact CG2-CG 4.4Å
703S94.6Very high90.8Very high31 Ų3150.6 Ų50.622%0.21725%0.254CS..EExtended strand (participates in β ladder)trans-107.2131.1174.8-68.60000110.5C694 L705 L714C694-S703 PolarHBondContact N-O 3.18Å; C694-S703 PolarHBondContact O-N 3.36Å; S703-L705 WeakPolarHBondContact O-CD1 3.3Å; S703-L714 CarbonylContact C-O 3.59Å; S703-L714 WeakPolarHBondContact CA-O 3.02Å
704F94.8Very high90.5Very high0 Ų052 Ų520%026%0.261CS..EExtended strand (participates in β ladder)trans-99129.5169.5-61.8-85.4000108.7V607 L654 L691 G692 I693 V702 L713 L714V607-F704 VanDerWaalsContact O-CE1 3.3Å; V607-F704 WeakPolarHBondContact O-CE1 3.48Å; L654-F704 HydrophobicContact CB-CD1 3.7Å; L654-F704 HydrophobicContact CB-CD2 4.29Å; L654-F704 HydrophobicContact CB-CE1 3.63Å; L654-F704 HydrophobicContact CB-CE2 4.22Å; L654-F704 HydrophobicContact CB-CG 4.04Å; L654-F704 HydrophobicContact CB-CZ 3.9Å; L654-F704 HydrophobicContact CD1-CD2 4.45Å; L654-F704 HydrophobicContact CD1-CG 4.4Å; L654-F704 HydrophobicContact CD2-CB 4.07Å; L654-F704 HydrophobicContact CD2-CD1 3.97Å; L654-F704 HydrophobicContact CD2-CG 4.06Å; L654-F704 HydrophobicContact CG-CD1 4.38Å; L654-F704 HydrophobicContact CG-CG 4.41Å; L691-F704 HydrophobicContact CD1-CB 4.44Å; L691-F704 HydrophobicContact CD2-CD1 4.47Å; G692-F704 CarbonylContact O-C 3.57Å; G692-F704 WeakPolarHBondContact O-CA 3.22Å; I693-F704 HydrophobicContact CG1-CD1 3.9Å; I693-F704 HydrophobicContact CG1-CE1 3.95Å; I693-F704 HydrophobicContact CG2-CE1 4.34Å; V702-F704 HydrophobicContact CG1-CE2 4.01Å; V702-F704 HydrophobicContact CG1-CZ 4.02Å; F704-L713 HydrophobicContact CB-CB 4.46Å; F704-L713 WeakPolarHBondContact O-CA 3.37Å; F704-L713 WeakPolarHBondContact O-CB 3.43Å; F704-L713 PolarHBondContact O-N 3.36Å; F704-L714 HydrophobicContact CB-CB 4.43Å; F704-L714 HydrophobicContact CD2-CB 4.19Å; F704-L714 HydrophobicContact CD2-CD2 4.46Å; F704-L714 PolarHBondContact N-O 3.41Å; F704-L714 PolarHBondContact O-N 3.35Å
705L93.6Very high90.3Very high19 Ų1956.2 Ų56.210%0.09928%0.279CS..EExtended strand (participates in β ladder)trans-130.6154.3-173.9-50101.1000111.1Y593 G692 C694 S703 A707 R711Y593-L705 HydrophobicContact CE2-CD1 4.33Å; G692-L705 PolarHBondContact N-O 3.02Å; G692-L705 PolarHBondContact O-N 3.22Å; C694-L705 HydrophobicContact CB-CD1 3.75Å; S703-L705 WeakPolarHBondContact O-CD1 3.3Å; L705-A707 PolarHBondContact O-N 3.41Å; L705-R711 CarbonylContact C-O 3.59Å; L705-R711 WeakPolarHBondContact CA-O 3.37Å
706D91.2Very high90.1Very high30 Ų3057.4 Ų57.416%0.1629%0.288CS..EExtended strand (participates in β ladder)trans-71.8114159.1170.89.5000108.5P688 V708 S709 F710 R711P688-D706 HydrophobicContact CB-CB 4.12Å; P688-D706 HydrophobicContact CG-CB 4.44Å; D706-V708 PolarHBondContact O-N 3.43Å; D706-V708 VanDerWaalsContact O-N 3.17Å; D706-V708 WeakPolarHBondContact OD1-CB 3.33Å; D706-V708 PolarHBondContact OD1-N 2.81Å; D706-S709 VanDerWaalsContact CG-OG 3.26Å; D706-S709 PolarHBondContact O-N 3.5Å; D706-S709 WeakPolarHBondContact OD2-CB 3.35Å; D706-S709 PolarHBondContact OD2-OG 3.27Å; D706-F710 WeakPolarHBondContact O-CA 3.45Å; D706-F710 PolarHBondContact O-N 3.12Å; D706-R711 PolarHBondContact N-O 2.94Å
707A87.4Confident89.9Confident10 Ų1059.5 Ų59.58%0.08330%0.302CS..THydrogen-bonded Turntrans-74.2-0.5-17600000114.2Y593 A595 R690 L705Y593-A707 WeakPolarHBondContact OH-CB 3.44Å; A595-A707 HydrophobicContact CB-CB 4.08Å; R690-A707 HydrophobicContact CB-CB 3.75Å; R690-A707 WeakPolarHBondContact O-CB 3.34Å; R690-A707 PolarHBondContact O-N 3.48Å; L705-A707 PolarHBondContact O-N 3.41Å
708V82.6Confident89.8Confident78 Ų7857.8 Ų57.847%0.47330%0.296SS..THydrogen-bonded Turntrans-93.1-50.4172.5-175.80000110.6D706D706-V708 PolarHBondContact O-N 3.43Å; D706-V708 VanDerWaalsContact O-N 3.17Å; D706-V708 WeakPolarHBondContact OD1-CB 3.33Å; D706-V708 PolarHBondContact OD1-N 2.81Å
709S82Confident89.7Confident61 Ų6153.8 Ų53.843%0.42728%0.279SS..THydrogen-bonded Turntrans-95.4-8.9-177.865.90000114.3D706 R711D706-S709 VanDerWaalsContact CG-OG 3.26Å; D706-S709 PolarHBondContact O-N 3.5Å; D706-S709 WeakPolarHBondContact OD2-CB 3.35Å; D706-S709 PolarHBondContact OD2-OG 3.27Å; S709-R711 PolarHBondContact O-N 3.49Å; S709-R711 VanDerWaalsContact O-N 3.16Å; S709-R711 WeakPolarHBondContact OG-CB 3.18Å; S709-R711 PolarHBondContact OG-N 2.86Å
710F84.8Confident89.6Confident41 Ų4146.4 Ų46.418%0.1825%0.254CS..  trans53.224-168.2-67.6-81000114.2H524 P526 Y593 D706H524-F710 HydrophobicContact CB-CD2 3.43Å; H524-F710 VanDerWaalsContact CB-CD2 3.43Å; H524-F710 HydrophobicContact CB-CE2 3.63Å; H524-F710 HydrophobicContact CB-CG 4.48Å; H524-F710 VanDerWaalsContact O-CE2 3.31Å; H524-F710 WeakPolarHBondContact O-CE2 3.38Å; P526-F710 HydrophobicContact CB-CE1 4.38Å; P526-F710 HydrophobicContact CG-CZ 4.31Å; Y593-F710 HydrophobicContact CE2-CE1 4.4Å; Y593-F710 AromaticContact CZ-CE1 3.98Å; D706-F710 WeakPolarHBondContact O-CA 3.45Å; D706-F710 PolarHBondContact O-N 3.12Å
711R86.9Confident89.4Confident188 Ų18850.2 Ų50.271%0.70928%0.278SS*.  trans-73.4127.9173.6-175-180177.2-170.3-0.4110.1L705 D706 S709L705-R711 CarbonylContact C-O 3.59Å; L705-R711 WeakPolarHBondContact CA-O 3.37Å; D706-R711 PolarHBondContact N-O 2.94Å; S709-R711 PolarHBondContact O-N 3.49Å; S709-R711 VanDerWaalsContact O-N 3.16Å; S709-R711 WeakPolarHBondContact OG-CB 3.18Å; S709-R711 PolarHBondContact OG-N 2.86Å
712G87.1Confident89.2Confident53 Ų5345.5 Ų45.555%0.54627%0.265SS..EExtended strand (participates in β ladder)trans-64.4133.7173.500000112.2
713L89.7Confident89Confident39 Ų3947.9 Ų47.920%0.20428%0.281CS..EExtended strand (participates in β ladder)trans-102.9-47.9178.1-59.9172.6000111.3I661 P688 L691 F704I661-L713 HydrophobicContact CD1-CD1 3.94Å; P688-L713 HydrophobicContact CG-CD1 4.11Å; L691-L713 HydrophobicContact CD1-CD1 3.66Å; F704-L713 HydrophobicContact CB-CB 4.46Å; F704-L713 WeakPolarHBondContact O-CA 3.37Å; F704-L713 WeakPolarHBondContact O-CB 3.43Å; F704-L713 PolarHBondContact O-N 3.36Å
714L89.9Confident88.9Confident28 Ų2846.4 Ų46.415%0.14727%0.27CS..EExtended strand (participates in β ladder)trans-154.6144-179.3-177.565.1000109.7L654 L663 A667 S703 F704L654-L714 HydrophobicContact CD1-CB 4.14Å; L654-L714 HydrophobicContact CD1-CD2 3.62Å; L663-L714 HydrophobicContact CD2-CB 4.17Å; L663-L714 HydrophobicContact CD2-CD1 4.5Å; A667-L714 HydrophobicContact CB-CD1 3.65Å; S703-L714 CarbonylContact C-O 3.59Å; S703-L714 WeakPolarHBondContact CA-O 3.02Å; F704-L714 HydrophobicContact CB-CB 4.43Å; F704-L714 HydrophobicContact CD2-CB 4.19Å; F704-L714 HydrophobicContact CD2-CD2 4.46Å; F704-L714 PolarHBondContact N-O 3.41Å; F704-L714 PolarHBondContact O-N 3.35Å
715E91.3Very high88.7Confident105 Ų10546.4 Ų46.449%0.49127%0.27SS..EExtended strand (participates in β ladder)trans-125.6132.2169.9-173.1178.9-151.600109.3R701 V702R701-E715 WeakPolarHBondContact CD-OE1 3.38Å; V702-E715 CarbonylContact O-C 3.55Å; V702-E715 WeakPolarHBondContact O-CA 3.44Å
716C89.8Confident88.8Confident26 Ų2645.6 Ų45.618%0.17627%0.266CS..EExtended strand (participates in β ladder)trans-126.2144-177.2-62.50000110.9A652 R701 V702A652-C716 HydrophobicContact CB-CB 3.96Å; R701-C716 WeakPolarHBondContact CA-O 3.46Å; V702-C716 PolarHBondContact N-O 3.5Å; V702-C716 PolarHBondContact O-N 3.25Å
717P90.5Very high88.8Confident61 Ų6144.1 Ų44.140%0.39626%0.258SS..EExtended strand (participates in β ladder)trans-68.5151.2165.531.1-33.5000110.4P649 G700P649-P717 HydrophobicContact CG-CG 4.36Å; P649-P717 VanDerWaalsContact CG-O 3.32Å; P649-P717 WeakPolarHBondContact CG-O 3.45Å; G700-P717 CarbonylContact O-C 3.58Å; G700-P717 WeakPolarHBondContact O-CA 3.2Å
718L90.8Very high89Confident2 Ų243.7 Ų43.71%0.0125%0.254CS..  trans-142.8139.5177.3-176.675.3000109.6V609 A652 L695 G700 V702 C720 V724V609-L718 HydrophobicContact CG2-CD1 4.07Å; V609-L718 HydrophobicContact CG2-CD2 3.54Å; V609-L718 HydrophobicContact CG2-CG 4.41Å; A652-L718 HydrophobicContact CB-CD1 3.99Å; L695-L718 HydrophobicContact CD1-CD2 3.7Å; G700-L718 CarbonylContact C-O 3.57Å; G700-L718 WeakPolarHBondContact CA-O 3.28Å; G700-L718 PolarHBondContact O-N 3.19Å; V702-L718 HydrophobicContact CG2-CB 4Å; V702-L718 HydrophobicContact CG2-CD2 3.78Å; V702-L718 HydrophobicContact CG2-CG 4.4Å; L718-C720 PolarHBondContact O-N 3.39Å; L718-V724 HydrophobicContact CD2-CB 4.46Å; L718-V724 HydrophobicContact CD2-CG1 3.63Å; L718-V724 HydrophobicContact CD2-CG2 3.95Å
719D88.8Confident89.4Confident52 Ų5240.1 Ų40.128%0.27823%0.233SC..  trans-72.2120.9166.6-176.913.8000110.8L611 P649 S721L611-D719 HydrophobicContact CD1-CB 3.71Å; L611-D719 WeakPolarHBondContact CD1-O 3.36Å; L611-D719 VanDerWaalsContact CD1-OD2 3.24Å; L611-D719 WeakPolarHBondContact CD1-OD2 3.35Å; L611-D719 WeakPolarHBondContact CD2-O 3.27Å; L611-D719 VanDerWaalsContact CG-O 3.25Å; L611-D719 WeakPolarHBondContact CG-O 3.27Å; P649-D719 PolarHBondContact O-N 3.42Å; D719-S721 VanDerWaalsContact CG-OG 3.27Å; D719-S721 WeakPolarHBondContact OD1-CB 3.12Å; D719-S721 PolarHBondContact OD1-N 3.19Å; D719-S721 PolarHBondContact OD1-OG 3.17Å; D719-S721 VanDerWaalsContact OD1-OG 3.08Å; D719-S721 PolarHBondContact OD2-OG 3.13Å
720C87.9Confident89.7Confident22 Ų2237.2 Ų37.215%0.14921%0.213CC..  trans-111.932.3176.7-66.10000111.6Y697 L718 G722Y697-C720 HydrophobicContact CD1-CB 4.18Å; Y697-C720 HydrophobicContact CD2-CB 3.99Å; Y697-C720 HydrophobicContact CE1-CB 4.02Å; Y697-C720 HydrophobicContact CE2-CB 3.85Å; Y697-C720 HydrophobicContact CG-CB 4.16Å; Y697-C720 VanDerWaalsContact CZ-O 3.23Å; Y697-C720 PolarHBondContact O-SG 2.98Å; Y697-C720 PolarHBondContact OH-O 3.03Å; L718-C720 PolarHBondContact O-N 3.39Å; C720-G722 PolarHBondContact O-N 3.19Å
721S87.1Confident89.7Confident94 Ų9436.3 Ų36.366%0.65721%0.21SC*.SBendtrans-67.6-12.8175.960.20000114.3D719D719-S721 VanDerWaalsContact CG-OG 3.27Å; D719-S721 WeakPolarHBondContact OD1-CB 3.12Å; D719-S721 PolarHBondContact OD1-N 3.19Å; D719-S721 PolarHBondContact OD1-OG 3.17Å; D719-S721 VanDerWaalsContact OD1-OG 3.08Å; D719-S721 PolarHBondContact OD2-OG 3.13Å
722G88.1Confident89.3Confident16 Ų1627.9 Ų27.917%0.16518%0.181CC..SBendtrans-156.5-170.717800000112.8L611 Y697 C720 V724L611-G722 WeakPolarHBondContact CD2-O 3.04Å; Y697-G722 WeakPolarHBondContact CE2-O 3.16Å; Y697-G722 PolarHBondContact OH-O 2.75Å; C720-G722 PolarHBondContact O-N 3.19Å; G722-V724 PolarHBondContact O-N 3.47Å
723P90.6Very high89.2Confident50 Ų5026.4 Ų26.433%0.32517%0.166SC..  trans-58.4129.2-178.1-21.131.5000112.6A586 T588 E612A586-P723 HydrophobicContact CB-CB 3.66Å; T588-P723 HydrophobicContact CG2-CB 4.02Å; T588-P723 HydrophobicContact CG2-CG 4.14Å; E612-P723 HydrophobicContact CB-CB 4.35Å; E612-P723 PolarHBondContact N-O 3.34Å
724V91.8Very high89.2Confident0 Ų025 Ų250%016%0.16CC..EExtended strand (participates in β ladder)trans-107.3124.9-179.3174.70000110.3A586 V587 V609 G610 L611 L695 Y697 L718 G722A586-V724 CarbonylContact C-O 3.5Å; A586-V724 WeakPolarHBondContact CA-O 3.27Å; V587-V724 PolarHBondContact N-O 3.41Å; V587-V724 PolarHBondContact O-N 3.39Å; V609-V724 HydrophobicContact CB-CG1 3.75Å; V609-V724 HydrophobicContact CG1-CG1 4.4Å; V609-V724 HydrophobicContact CG2-CG1 4.08Å; G610-V724 CarbonylContact O-C 3.56Å; G610-V724 WeakPolarHBondContact O-CA 3.46Å; L611-V724 HydrophobicContact CD2-CG2 4.01Å; L695-V724 HydrophobicContact CD1-CG1 4.33Å; L695-V724 HydrophobicContact CD2-CB 4.05Å; L695-V724 HydrophobicContact CD2-CG1 3.68Å; Y697-V724 HydrophobicContact CD2-CG2 4.26Å; Y697-V724 HydrophobicContact CE2-CG2 4.02Å; L718-V724 HydrophobicContact CD2-CB 4.46Å; L718-V724 HydrophobicContact CD2-CG1 3.63Å; L718-V724 HydrophobicContact CD2-CG2 3.95Å; G722-V724 PolarHBondContact O-N 3.47Å
725C91.6Very high89.3Confident0 Ų024.3 Ų24.30%016%0.159CC..EExtended strand (participates in β ladder)trans-108.7143.5-176.9-57.20000111.7A586 V609 G610 L615 A727 I752A586-C725 VanDerWaalsContact CB-SG 3.59Å; V609-C725 VanDerWaalsContact CA-O 3.25Å; V609-C725 WeakPolarHBondContact CA-O 3.29Å; G610-C725 PolarHBondContact N-O 3Å; G610-C725 PolarHBondContact O-N 3.05Å; L615-C725 HydrophobicContact CD1-CB 4.36Å; C725-A727 PolarHBondContact O-N 2.75Å; C725-I752 HydrophobicContact CB-CD1 4.22Å; C725-I752 WeakPolarHBondContact SG-CD1 3.45Å
726P94.3Very high89.5Confident1 Ų119.5 Ų19.51%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-58.7132.3161.2-20.532.9000110.3L531 F533 L582 G583 V585 W594 F728L531-P726 HydrophobicContact CD2-CG 3.94Å; F533-P726 HydrophobicContact CD1-CG 3.95Å; F533-P726 HydrophobicContact CD2-CG 4.43Å; F533-P726 HydrophobicContact CE1-CB 4.01Å; F533-P726 HydrophobicContact CE1-CG 3.71Å; F533-P726 HydrophobicContact CE2-CB 3.91Å; F533-P726 HydrophobicContact CE2-CG 4.22Å; F533-P726 HydrophobicContact CG-CG 4.3Å; F533-P726 HydrophobicContact CZ-CB 3.62Å; F533-P726 HydrophobicContact CZ-CG 3.86Å; L582-P726 WeakPolarHBondContact CA-O 3.15Å; G583-P726 PolarHBondContact N-O 2.94Å; V585-P726 VanDerWaalsContact O-CD 3.27Å; V585-P726 WeakPolarHBondContact O-CD 3.35Å; W594-P726 HydrophobicContact CH2-CG 4.19Å; W594-P726 HydrophobicContact CZ2-CB 3.87Å; W594-P726 HydrophobicContact CZ2-CG 4Å; P726-F728 HydrophobicContact CB-CE2 4.23Å
727A91.8Very high89.7Confident0 Ų021.9 Ų21.90%015%0.145CC..EExtended strand (participates in β ladder)trans-135.8138.8-176.400000111.4L582 G608 L615 F653 C725L582-A727 HydrophobicContact CD2-CB 3.63Å; G608-A727 PolarHBondContact N-O 3.34Å; G608-A727 PolarHBondContact O-N 2.78Å; L615-A727 HydrophobicContact CD1-CB 4.02Å; L615-A727 HydrophobicContact CD2-CB 4.31Å; F653-A727 HydrophobicContact CE1-CB 3.68Å; F653-A727 HydrophobicContact CZ-CB 3.75Å; C725-A727 PolarHBondContact O-N 2.75Å
728F92.8Very high89.9Confident0 Ų019.5 Ų19.50%013%0.129CC..EExtended strand (participates in β ladder)trans-130.8117.5-178.8-54.4-90.2000108.9F533 L535 V580 V581 K606 V607 P726 F730 V736 L738F533-F728 AromaticContact CE2-CE2 3.9Å; F533-F728 HydrophobicContact CE2-CE2 3.9Å; F533-F728 HydrophobicContact CE2-CZ 4.23Å; F533-F728 HydrophobicContact CZ-CE2 4.13Å; F533-F728 HydrophobicContact CZ-CZ 4.05Å; L535-F728 HydrophobicContact CD2-CD2 3.74Å; L535-F728 HydrophobicContact CD2-CE2 3.58Å; L535-F728 HydrophobicContact CD2-CZ 4.36Å; V580-F728 WeakPolarHBondContact CA-O 3.13Å; V581-F728 PolarHBondContact N-O 2.85Å; V581-F728 PolarHBondContact O-N 2.76Å; K606-F728 CarbonylContact O-C 3.54Å; K606-F728 WeakPolarHBondContact O-CA 3.16Å; V607-F728 HydrophobicContact CB-CD1 4.43Å; V607-F728 HydrophobicContact CG1-CD1 3.95Å; V607-F728 HydrophobicContact CG1-CE1 3.7Å; V607-F728 HydrophobicContact CG2-CD1 4.12Å; P726-F728 HydrophobicContact CB-CE2 4.23Å; F728-F730 HydrophobicContact CB-CE2 3.87Å; F728-F730 HydrophobicContact CB-CZ 4.17Å; F728-V736 HydrophobicContact CD1-CG1 3.93Å; F728-V736 HydrophobicContact CD1-CG2 4.43Å; F728-V736 HydrophobicContact CE1-CG1 3.92Å; F728-L738 HydrophobicContact CE1-CD2 4.38Å; F728-L738 HydrophobicContact CE2-CD2 4.45Å; F728-L738 HydrophobicContact CZ-CD2 3.77Å
729C89.8Confident89.8Confident4 Ų421.2 Ų21.23%0.02714%0.137CC..EExtended strand (participates in β ladder)trans-110.9133.8178.5-41.80000110.5V578 D579 V580 V605 K606V578-C729 HydrophobicContact CG1-CB 3.81Å; D579-C729 CarbonylContact O-C 3.55Å; D579-C729 VanDerWaalsContact O-CA 3.29Å; D579-C729 WeakPolarHBondContact O-CA 3.45Å; V580-C729 HydrophobicContact CG2-CB 4.24Å; V605-C729 CarbonylContact C-O 3.53Å; V605-C729 WeakPolarHBondContact CA-O 3.41Å; K606-C729 HydrophobicContact CB-CB 4.07Å; K606-C729 PolarHBondContact N-O 3Å; K606-C729 PolarHBondContact O-N 3.34Å
730F87.9Confident89.6Confident0 Ų024.1 Ų24.10%015%0.149CC..EExtended strand (participates in β ladder)trans-113.8129.8-179.9-59.8-91000109.3L546 V555 S557 V578 D579 V581 V605 F728 V736L546-F730 HydrophobicContact CD2-CD2 3.97Å; L546-F730 HydrophobicContact CD2-CG 4.42Å; V555-F730 HydrophobicContact CB-CZ 4.36Å; V555-F730 HydrophobicContact CG1-CE1 4.25Å; V555-F730 HydrophobicContact CG1-CE2 3.79Å; V555-F730 HydrophobicContact CG1-CZ 3.32Å; V555-F730 HydrophobicContact CG2-CE2 4.03Å; V555-F730 HydrophobicContact CG2-CZ 4.15Å; S557-F730 VanDerWaalsContact CB-CB 3.46Å; V578-F730 WeakPolarHBondContact CA-O 3.36Å; D579-F730 HydrophobicContact CB-CB 4.34Å; D579-F730 PolarHBondContact N-O 3.44Å; D579-F730 PolarHBondContact O-N 3.48Å; V581-F730 HydrophobicContact CB-CE2 4.5Å; V581-F730 HydrophobicContact CG2-CE2 4.38Å; V605-F730 HydrophobicContact CG1-CD1 4.4Å; V605-F730 HydrophobicContact CG1-CE1 4.09Å; V605-F730 HydrophobicContact CG2-CD1 3.91Å; V605-F730 HydrophobicContact CG2-CE1 4.07Å; F728-F730 HydrophobicContact CB-CE2 3.87Å; F728-F730 HydrophobicContact CB-CZ 4.17Å; F730-V736 HydrophobicContact CE1-CB 4.47Å; F730-V736 HydrophobicContact CE1-CG2 3.8Å; F730-V736 HydrophobicContact CZ-CB 4.17Å; F730-V736 HydrophobicContact CZ-CG2 3.75Å
731I84.8Confident89.4Confident22 Ų2224 Ų2411%0.11315%0.148CC..EExtended strand (participates in β ladder)trans-122.5106.2175.8-67.4166000105.5L576 V578 Y603 L604L576-I731 HydrophobicContact CB-CG2 3.87Å; L576-I731 HydrophobicContact CD1-CG2 3.78Å; L576-I731 HydrophobicContact CG-CG2 4.42Å; V578-I731 HydrophobicContact CB-CG1 4.37Å; V578-I731 HydrophobicContact CG1-CG1 4.21Å; V578-I731 HydrophobicContact CG2-CD1 4.14Å; V578-I731 HydrophobicContact CG2-CG1 3.91Å; Y603-I731 WeakPolarHBondContact CD1-O 3.28Å; L604-I731 HydrophobicContact CB-CB 4.08Å; L604-I731 HydrophobicContact CB-CG2 4.41Å; L604-I731 HydrophobicContact CD2-CB 4.02Å; L604-I731 HydrophobicContact CD2-CD1 3.65Å; L604-I731 HydrophobicContact CD2-CG1 4.4Å; L604-I731 HydrophobicContact CD2-CG2 4.11Å; L604-I731 PolarHBondContact O-N 3.06Å
732G80.3Confident88.9Confident11 Ų1120.8 Ų20.811%0.11312%0.124CC..SBendtrans75.4-147.5-169.700000112.8S557S557-G732 PolarHBondContact OG-O 3.43Å
733G84Confident87.9Confident22 Ų2221.2 Ų21.223%0.22713%0.129CC..SBendtrans-79.4134.1-179.400000112.7S557 Y603S557-G733 WeakPolarHBondContact O-CA 3.38Å; Y603-G733 WeakPolarHBondContact CB-O 3.39Å; Y603-G733 PolarHBondContact N-O 2.94Å
734G89.9Confident86.4Confident8 Ų824.9 Ų24.98%0.08215%0.15CC..EExtended strand (participates in β ladder)trans-171.5163.3174.900000113.6R556 S557 S602R556-G734 CarbonylContact C-O 3.44Å; R556-G734 WeakPolarHBondContact CA-O 3.32Å; S557-G734 PolarHBondContact N-O 2.85Å; S557-G734 PolarHBondContact O-N 2.79Å; S557-G734 VanDerWaalsContact O-N 3.1Å; S602-G734 VanDerWaalsContact OG-CA 3.29Å; S602-G734 WeakPolarHBondContact OG-CA 3.3Å
735A92.5Very high85Confident15 Ų1533.9 Ų33.912%0.12419%0.189CC..EExtended strand (participates in β ladder)trans-143.2143.4177.800000112.5V555 R556 D599 S602V555-A735 CarbonylContact O-C 3.44Å; V555-A735 VanDerWaalsContact O-CA 3.23Å; V555-A735 WeakPolarHBondContact O-CA 3.46Å; R556-A735 HydrophobicContact CB-CB 4.23Å; R556-A735 HydrophobicContact CG-CB 4.34Å; D599-A735 HydrophobicContact CB-CB 3.88Å; D599-A735 PolarHBondContact N-O 3.34Å; S602-A735 PolarHBondContact OG-N 3.09Å
736V94.7Very high83.6Confident3 Ų335.3 Ų35.32%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-132.6136.3176.4177.40000109.3A554 V555 C596 A597 V598 V605 F728 F730A554-V736 CarbonylContact C-O 3.42Å; A554-V736 WeakPolarHBondContact CA-O 3.09Å; V555-V736 HydrophobicContact CG1-CB 4Å; V555-V736 PolarHBondContact N-O 2.86Å; V555-V736 PolarHBondContact O-N 3.46Å; C596-V736 HydrophobicContact CB-CG1 3.93Å; A597-V736 CarbonylContact O-C 3.51Å; A597-V736 WeakPolarHBondContact O-CA 3.33Å; V598-V736 HydrophobicContact CG1-CG2 4.37Å; V598-V736 HydrophobicContact CG2-CG2 4.15Å; V605-V736 HydrophobicContact CG1-CG2 3.72Å; F728-V736 HydrophobicContact CD1-CG1 3.93Å; F728-V736 HydrophobicContact CD1-CG2 4.43Å; F728-V736 HydrophobicContact CE1-CG1 3.92Å; F730-V736 HydrophobicContact CE1-CB 4.47Å; F730-V736 HydrophobicContact CE1-CG2 3.8Å; F730-V736 HydrophobicContact CZ-CB 4.17Å; F730-V736 HydrophobicContact CZ-CG2 3.75Å
737Q94.9Very high81.9Confident77 Ų7743.4 Ų43.436%0.3624%0.236SC..EExtended strand (participates in β ladder)trans-122.1123.7175.5-176.775.143.100109.4C596 A597C596-Q737 CarbonylContact C-O 3.6Å; C596-Q737 WeakPolarHBondContact CA-O 3.25Å; C596-Q737 WeakPolarHBondContact CB-O 3.45Å; A597-Q737 PolarHBondContact N-O 3.18Å; A597-Q737 PolarHBondContact O-N 2.85Å
738L93.3Very high80.8Confident10 Ų1048.3 Ų48.35%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-73.2145.5172.8-61.1-177.7000111F533 L535 R553 C596 F728 E740F533-L738 HydrophobicContact CD2-CD1 4.04Å; F533-L738 HydrophobicContact CE2-CD1 3.58Å; F533-L738 HydrophobicContact CE2-CD2 4.04Å; F533-L738 HydrophobicContact CE2-CG 4.48Å; F533-L738 HydrophobicContact CZ-CD1 4.02Å; F533-L738 HydrophobicContact CZ-CD2 3.84Å; L535-L738 HydrophobicContact CD1-CD1 4.41Å; L535-L738 HydrophobicContact CD1-CG 4.35Å; L535-L738 HydrophobicContact CD2-CD1 3.98Å; L535-L738 HydrophobicContact CD2-CD2 4.44Å; L535-L738 HydrophobicContact CD2-CG 4.31Å; L535-L738 HydrophobicContact CG-CD1 3.85Å; L535-L738 HydrophobicContact CG-CG 4.27Å; R553-L738 HydrophobicContact CB-CB 4.42Å; R553-L738 WeakPolarHBondContact O-CB 3.5Å; R553-L738 PolarHBondContact O-N 3.46Å; C596-L738 HydrophobicContact CB-CD2 4.03Å; F728-L738 HydrophobicContact CE1-CD2 4.38Å; F728-L738 HydrophobicContact CE2-CD2 4.45Å; F728-L738 HydrophobicContact CZ-CD2 3.77Å; L738-E740 PolarHBondContact O-N 3.43Å
739Q89.6Confident79.6Confident39 Ų3955.3 Ų55.318%0.18229%0.285CS..PPolyproline II helixtrans-64.1131.4175.1178.560.354.300110.9Y443 A595Y443-Q739 HydrophobicContact CD1-CG 3.8Å; Y443-Q739 HydrophobicContact CD2-CG 3.94Å; Y443-Q739 HydrophobicContact CE1-CB 4.11Å; Y443-Q739 HydrophobicContact CE1-CG 3.74Å; Y443-Q739 HydrophobicContact CE2-CB 4.19Å; Y443-Q739 HydrophobicContact CE2-CG 3.89Å; Y443-Q739 HydrophobicContact CG-CG 3.9Å; A595-Q739 HydrophobicContact CB-CB 3.93Å; A595-Q739 HydrophobicContact CB-CG 4.46Å; A595-Q739 WeakPolarHBondContact O-CB 3.35Å; A595-Q739 PolarHBondContact O-N 2.92Å
740E85.1Confident78.6Confident112 Ų11258.1 Ų58.152%0.52330%0.302SS..PPolyproline II helixtrans-73.8140.6175.7-66.2-174.8173.400111.3L738L738-E740 PolarHBondContact O-N 3.43Å
741P81.9Confident77.6Confident20 Ų2062 Ų6213%0.1333%0.326CS..PPolyproline II helixtrans-63.8147.8169.531.4-37000109.1D444D444-P741 WeakPolarHBondContact OD2-CB 3.5Å
742V77.9Confident76.7Confident27 Ų2761.3 Ų61.316%0.16432%0.322CS..SBendtrans-74.2-35.7179.3177.20000111.2F441 D444 Q445 F447 L492F441-V742 HydrophobicContact CD2-CG2 4.06Å; F441-V742 HydrophobicContact CE2-CG2 3.29Å; F441-V742 HydrophobicContact CZ-CG2 3.62Å; D444-V742 WeakPolarHBondContact OD1-CB 3.35Å; D444-V742 WeakPolarHBondContact OD1-CG2 3.01Å; D444-V742 PolarHBondContact OD1-N 3.21Å; D444-V742 PolarHBondContact OD2-N 3.27Å; Q445-V742 HydrophobicContact CB-CB 4.13Å; Q445-V742 HydrophobicContact CB-CG1 4.31Å; F447-V742 HydrophobicContact CB-CG1 3.53Å; F447-V742 HydrophobicContact CD2-CG1 3.97Å; F447-V742 HydrophobicContact CG-CG1 4.12Å; L492-V742 HydrophobicContact CD1-CB 4.34Å; L492-V742 HydrophobicContact CD1-CG1 3.3Å
743G67Low75.5Confident25 Ų2564.1 Ų64.126%0.25835%0.351SS..SBendtrans-102-137.6-171.500000114.5
744T59.7Low74Confident126 Ų12664.9 Ų64.977%0.77336%0.36SS*.SBendtrans-65.5142.1179.346.40000111.4P746T744-P746 WeakPolarHBondContact O-CD 3.33Å
745K62Low72.2Confident190 Ų19066.2 Ų66.283%0.82636%0.363SS*.PPolyproline II helixtrans-61.4120.9177.6-70.6-177.5179-178.50108.8
746P61.8Low69.7Low30 Ų3070.4 Ų70.420%0.19540%0.397CS..PPolyproline II helixtrans-63.7139.1179.226-34.2000109.7H532 T744H532-P746 HydrophobicContact CB-CB 3.93Å; H532-P746 HydrophobicContact CB-CG 3.8Å; T744-P746 WeakPolarHBondContact O-CD 3.33Å
747E59.3Low67.2Low170 Ų17079.1 Ų79.179%0.79444%0.435SS*.PPolyproline II helixtrans-61.3136.9171.2-68.9-177.7166.500109.8K749E747-K749 PolarHBondContact O-N 2.91Å
748R68.5Low64.4Low103 Ų10383.4 Ų83.439%0.38946%0.46SS..  trans-67.5115.3178.5-175.5174.8-173.6-164.23.6109.6F534 D536 Q552 D584 V750F534-R748 HydrophobicContact CD2-CB 4.11Å; F534-R748 HydrophobicContact CD2-CG 3.7Å; F534-R748 HydrophobicContact CE2-CB 3.74Å; F534-R748 HydrophobicContact CE2-CG 3.89Å; D536-R748 IonicContact OD2-NH2 2.69Å; Q552-R748 VanDerWaalsContact OE1-CZ 3.27Å; D584-R748 IonicContact OD2-CZ 3.19Å; D584-R748 IonicContact OD2-NE 3.61Å; D584-R748 PolarHBondContact OD2-NE 3.3Å; D584-R748 IonicContact OD2-NH2 3.25Å; D584-R748 PolarHBondContact OD2-NH2 3.37Å; R748-V750 HydrophobicContact CG-CG2 4.12Å
749K67.3Low61.5Low148 Ų14894.5 Ų94.564%0.64352%0.519SS*.  trans-108130.9170.7-64.9-179.7-178179.20107.3V585 E747V585-K749 WeakPolarHBondContact CG2-O 3.44Å; E747-K749 PolarHBondContact O-N 2.91Å
750V67.9Low60.1Low62 Ų6297.3 Ų97.338%0.37654%0.536SS..  trans-117.7121178.8-179.30000107.4D584 R748 F755D584-V750 HydrophobicContact CB-CG1 4.5Å; D584-V750 HydrophobicContact CB-CG2 4.42Å; D584-V750 WeakPolarHBondContact O-CA 3.43Å; R748-V750 HydrophobicContact CG-CG2 4.12Å; V750-F755 HydrophobicContact CG1-CB 3.49Å; V750-F755 VanDerWaalsContact CG1-CB 3.49Å; V750-F755 HydrophobicContact CG1-CD1 3.41Å; V750-F755 VanDerWaalsContact CG1-CD1 3.41Å; V750-F755 HydrophobicContact CG1-CD2 3.91Å; V750-F755 HydrophobicContact CG1-CE1 3.91Å; V750-F755 HydrophobicContact CG1-CE2 4.44Å; V750-F755 HydrophobicContact CG1-CG 3.35Å; V750-F755 HydrophobicContact CG1-CZ 4.43Å
751T67.6Low58.8Low81 Ų8196.5 Ų96.550%0.49754%0.537SS..  trans-123.7-1.6-174.958.90000114.4D584 V585 A586D584-T751 PolarHBondContact O-N 3.4Å; D584-T751 VanDerWaalsContact O-N 3.12Å; V585-T751 WeakPolarHBondContact CA-OG1 3.41Å; A586-T751 PolarHBondContact N-OG1 2.88Å
752I66.6Low57.5Low8 Ų8100.8 Ų100.84%0.04156%0.559CS.*  trans-79.1133.6179.1-67.8-177.4000110.8W539 G583 A586 E612 C725 G754 F755W539-I752 HydrophobicContact CZ2-CG2 4.33Å; G583-I752 WeakPolarHBondContact O-CD1 3.34Å; A586-I752 HydrophobicContact CB-CG1 4.08Å; E612-I752 HydrophobicContact CG-CG2 4.16Å; E612-I752 WeakPolarHBondContact OE1-CG2 3.31Å; C725-I752 HydrophobicContact CB-CD1 4.22Å; C725-I752 WeakPolarHBondContact SG-CD1 3.45Å; I752-G754 PolarHBondContact O-N 2.79Å; I752-F755 HydrophobicContact CB-CD2 3.71Å; I752-F755 HydrophobicContact CB-CE2 3.72Å; I752-F755 HydrophobicContact CD1-CE2 4.44Å; I752-F755 HydrophobicContact CG2-CD2 3.79Å; I752-F755 HydrophobicContact CG2-CE2 3.7Å; I752-F755 PolarHBondContact O-N 3.09Å
753G53.8Low56.3Low70 Ų70105.1 Ų105.172%0.72258%0.583SS**THydrogen-bonded Turntrans-69.4-1.9-162.900000117.1E612E612-G753 PolarHBondContact OE1-N 3.14Å
754G53.6Low55.6Low39 Ų39110.1 Ų110.140%0.40260%0.603SS.*THydrogen-bonded Turntrans-107.12177.800000115.8I752I752-G754 PolarHBondContact O-N 2.79Å
755F50.9Low55.4Low36 Ų36109.1 Ų109.116%0.15859%0.592CS.*THydrogen-bonded Turntrans-84.6-13.3-173.2-84.8-107000115.1D536 W539 D584 V750 I752 K757D536-F755 HydrophobicContact CB-CE1 4.2Å; D536-F755 HydrophobicContact CB-CZ 3.73Å; D536-F755 WeakPolarHBondContact OD2-CE1 3.38Å; D536-F755 VanDerWaalsContact OD2-CZ 3.22Å; D536-F755 WeakPolarHBondContact OD2-CZ 3.29Å; W539-F755 HydrophobicContact CZ2-CD2 4.36Å; W539-F755 HydrophobicContact CZ2-CE2 4.41Å; W539-F755 AromaticContact NE1-CE2 3.36Å; W539-F755 AromaticContact NE1-CZ 3.85Å; D584-F755 HydrophobicContact CB-CE1 4.14Å; D584-F755 HydrophobicContact CB-CZ 3.93Å; V750-F755 HydrophobicContact CG1-CB 3.49Å; V750-F755 VanDerWaalsContact CG1-CB 3.49Å; V750-F755 HydrophobicContact CG1-CD1 3.41Å; V750-F755 VanDerWaalsContact CG1-CD1 3.41Å; V750-F755 HydrophobicContact CG1-CD2 3.91Å; V750-F755 HydrophobicContact CG1-CE1 3.91Å; V750-F755 HydrophobicContact CG1-CE2 4.44Å; V750-F755 HydrophobicContact CG1-CG 3.35Å; V750-F755 HydrophobicContact CG1-CZ 4.43Å; I752-F755 HydrophobicContact CB-CD2 3.71Å; I752-F755 HydrophobicContact CB-CE2 3.72Å; I752-F755 HydrophobicContact CD1-CE2 4.44Å; I752-F755 HydrophobicContact CG2-CD2 3.79Å; I752-F755 HydrophobicContact CG2-CE2 3.7Å; I752-F755 PolarHBondContact O-N 3.09Å; F755-K757 VanDerWaalsContact C-N 3.31Å; F755-K757 PolarHBondContact O-N 3.4Å
756A40.5Very low54.9Low102 Ų102103.3 Ų103.384%0.84358%0.575SS**THydrogen-bonded Turntrans-84.611.5-172.100000115.2
757K41.6Very low54.4Low187 Ų187108.9 Ų108.981%0.81360%0.604SS**SBendtrans-139.794.2174.7-79.7-174177.8176.40111.6F755F755-K757 VanDerWaalsContact C-N 3.31Å; F755-K757 PolarHBondContact O-N 3.4Å
758L37.3Very low54Low166 Ų166103.8 Ų103.887%0.86959%0.588SS**  trans160.195.5138.5-86.9149.2000106.6
759D32.1Very low52.6Low244 Ų244103.9 Ų103.9100%1.30561%0.606SS**  trans-550168.6-73.7-42.1000112.3

Retrieved 759 of 759 residues in 150.4 ms (Link to these results)

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