A0A087YSF1_POEFO Loading...

Bardet-Biedl syndrome 12

AlphaFold DB , UniProt , Accession A0A087YSF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 621 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low45.4Very low209 Ų209118.9 Ų118.9100%1.0364%0.643SS**  0130.50-85.3173.2157.500106.8
2L27.4Very low48.9Very low151 Ų151109.9 Ų109.979%0.79159%0.594SS**  trans-90.9107.4172.6-84.5143.8000106.7T608L2-T608 HydrophobicContact CD2-CG2 4.25Å
3E36Very low52Low145 Ų145105.2 Ų105.268%0.67857%0.571SS**EExtended strand (participates in β ladder)trans-100.2107.5167.2-75.5-173.8172.600107.6
4G34.7Very low54.8Low65 Ų6598.3 Ų98.367%0.6754%0.536SS*.EExtended strand (participates in β ladder)trans-102.6116.9171.500000109.2
5V45.5Very low57.5Low96 Ų9691.7 Ų91.758%0.58250%0.501SS*.EExtended strand (participates in β ladder)trans-95.3107.6170.5-179.50000107.7I7V5-I7 PolarHBondContact O-N 3.34Å
6V43.6Very low59.7Low132 Ų13290.4 Ų90.480%0.849%0.49SS*.EExtended strand (participates in β ladder)trans-69116.1170.8179.20000107.9N8V6-N8 PolarHBondContact O-N 2.83Å; V6-N8 VanDerWaalsContact O-N 3.14Å
7I50.3Low61.7Low30 Ų3087.5 Ų87.515%0.15447%0.472CS..  trans-71.8108.6177.8-57.7179.8000107.5V5 S9 Q11V5-I7 PolarHBondContact O-N 3.34Å; I7-S9 PolarHBondContact O-N 2.62Å; I7-Q11 WeakPolarHBondContact CG2-O 2.98Å
8N46.7Very low63.5Low92 Ų9282.7 Ų82.749%0.49245%0.445SS..  trans-56.9134.1176.3-175.9-13000109.7V6 R10 Q11V6-N8 PolarHBondContact O-N 2.83Å; V6-N8 VanDerWaalsContact O-N 3.14Å; N8-R10 PolarHBondContact O-N 2.8Å; N8-Q11 CarbonylContact O-C 3.39Å; N8-Q11 PolarHBondContact O-N 3.43Å; N8-Q11 VanDerWaalsContact O-O 3.1Å
9S51.4Low65.1Low98 Ų9879.1 Ų79.169%0.68543%0.427SS*.THydrogen-bonded Turntrans-59-12.8-174.658.30000115.1I7I7-S9 PolarHBondContact O-N 2.62Å
10R58.2Low66.4Low176 Ų17677.4 Ų77.466%0.66443%0.425SS*.THydrogen-bonded Turntrans-104.2-4.8174.2-63.1-174.9178.2-174.5-0.5114.8N8N8-R10 PolarHBondContact O-N 2.8Å
11Q71.7Confident67.6Low114 Ų11474.9 Ų74.953%0.53341%0.411SS..  trans-137.897-178.5-68.4-174.8-8.800110.5I7 N8 V13I7-Q11 WeakPolarHBondContact CG2-O 2.98Å; N8-Q11 CarbonylContact O-C 3.39Å; N8-Q11 PolarHBondContact O-N 3.43Å; N8-Q11 VanDerWaalsContact O-O 3.1Å; Q11-V13 PolarHBondContact O-N 2.66Å
12H87.7Confident70.4Confident11 Ų1165 Ų655%0.05136%0.362CS..  trans-89.199.1177.7-165.5-48.4000111.2G14 L15 Q16 L99 L102 V599 L600 T602H12-G14 VanDerWaalsContact C-N 3.29Å; H12-G14 PolarHBondContact ND1-N 2.9Å; H12-G14 PolarHBondContact O-N 3.07Å; H12-L15 HydrophobicContact CB-CB 4.18Å; H12-L15 HydrophobicContact CB-CD1 3.93Å; H12-L15 HydrophobicContact CB-CG 4.16Å; H12-L15 PolarHBondContact ND1-N 2.93Å; H12-L15 PolarHBondContact O-N 2.97Å; H12-Q16 WeakPolarHBondContact O-CG 3.31Å; H12-Q16 PolarHBondContact O-N 3.12Å; H12-Q16 VanDerWaalsContact O-N 3.08Å; H12-L99 HydrophobicContact CB-CD2 3.7Å; H12-L102 HydrophobicContact CB-CD1 3.96Å; H12-V599 PolarHBondContact CE1-O 3.32Å; H12-V599 PolarHBondContact NE2-O 2.75Å; H12-L600 WeakPolarHBondContact NE2-CA 3.49Å; H12-L600 PolarHBondContact NE2-O 2.82Å; H12-T602 PolarHBondContact NE2-O 2.96Å
13V88.3Confident73.3Confident49 Ų4959.9 Ų59.930%0.29735%0.346SS..Hα-helixtrans-57.2-41.5-176.6178.40000111.7Q11 Q16 K17Q11-V13 PolarHBondContact O-N 2.66Å; V13-Q16 WeakPolarHBondContact O-CB 3.13Å; V13-Q16 PolarHBondContact O-N 3.02Å; V13-K17 HydrophobicContact CG1-CD 4.14Å; V13-K17 HydrophobicContact CG1-CG 4.32Å; V13-K17 WeakPolarHBondContact O-CG 3.47Å; V13-K17 PolarHBondContact O-N 3.31Å
14G91.9Very high75.7Confident8 Ų859.6 Ų59.68%0.08234%0.339CS..Hα-helixtrans-58.1-51.6177.700000113.8H12 Q16 K17 L18 V599H12-G14 VanDerWaalsContact C-N 3.29Å; H12-G14 PolarHBondContact ND1-N 2.9Å; H12-G14 PolarHBondContact O-N 3.07Å; G14-Q16 VanDerWaalsContact C-N 3.28Å; G14-Q16 PolarHBondContact O-N 3.44Å; G14-K17 PolarHBondContact O-N 2.79Å; G14-L18 PolarHBondContact O-N 3.15Å; G14-V599 VanDerWaalsContact C-CG1 3.41Å
15L94.6Very high78.1Confident0 Ų056.6 Ų56.60%031%0.307CS..Hα-helixtrans-62.9-33.1176.6-65.1177.6000112.6H12 S19 A98 L99 L102 V596 V599 L600H12-L15 HydrophobicContact CB-CB 4.18Å; H12-L15 HydrophobicContact CB-CD1 3.93Å; H12-L15 HydrophobicContact CB-CG 4.16Å; H12-L15 PolarHBondContact ND1-N 2.93Å; H12-L15 PolarHBondContact O-N 2.97Å; L15-S19 WeakPolarHBondContact O-CB 3.34Å; L15-S19 PolarHBondContact O-N 3.39Å; L15-A98 HydrophobicContact CD1-CB 3.84Å; L15-L99 HydrophobicContact CB-CD1 3.85Å; L15-L99 HydrophobicContact CB-CD2 3.94Å; L15-L99 HydrophobicContact CB-CG 3.65Å; L15-L99 HydrophobicContact CD1-CD2 4.3Å; L15-L99 HydrophobicContact CD1-CG 4.06Å; L15-L102 HydrophobicContact CD1-CD1 4.31Å; L15-V596 HydrophobicContact CD2-CG1 4.03Å; L15-V599 HydrophobicContact CD2-CB 4.1Å; L15-V599 HydrophobicContact CD2-CG1 3.79Å; L15-V599 HydrophobicContact CG-CG1 4.08Å; L15-L600 HydrophobicContact CD1-CB 4.33Å; L15-L600 HydrophobicContact CD1-CD1 3.84Å; L15-L600 HydrophobicContact CD2-CB 4.43Å
16Q93.5Very high80.2Confident71 Ų7156.5 Ų56.533%0.33230%0.297SS..Hα-helixtrans-67.1-46.4174.2-69.2174.65.500111.4H12 V13 G14 L18 S19 A20 L99H12-Q16 WeakPolarHBondContact O-CG 3.31Å; H12-Q16 PolarHBondContact O-N 3.12Å; H12-Q16 VanDerWaalsContact O-N 3.08Å; V13-Q16 WeakPolarHBondContact O-CB 3.13Å; V13-Q16 PolarHBondContact O-N 3.02Å; G14-Q16 VanDerWaalsContact C-N 3.28Å; G14-Q16 PolarHBondContact O-N 3.44Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; Q16-L18 PolarHBondContact O-N 2.96Å; Q16-S19 PolarHBondContact O-N 3.34Å; Q16-A20 WeakPolarHBondContact O-CB 3.16Å; Q16-A20 PolarHBondContact O-N 3.28Å; Q16-L99 HydrophobicContact CG-CD1 3.84Å; Q16-L99 HydrophobicContact CG-CD2 4.1Å
17K92.6Very high82.2Confident41 Ų4151.4 Ų51.418%0.17827%0.267CS..Hα-helixtrans-57.3-46.8174.4-73.5175.2177.5174.60110.7V13 G14 A20 L21 V65 E605V13-K17 HydrophobicContact CG1-CD 4.14Å; V13-K17 HydrophobicContact CG1-CG 4.32Å; V13-K17 WeakPolarHBondContact O-CG 3.47Å; V13-K17 PolarHBondContact O-N 3.31Å; G14-K17 PolarHBondContact O-N 2.79Å; K17-A20 PolarHBondContact O-N 3.48Å; K17-L21 WeakPolarHBondContact O-CB 3.46Å; K17-L21 PolarHBondContact O-N 3.01Å; K17-V65 HydrophobicContact CB-CB 4.34Å; K17-V65 HydrophobicContact CB-CG1 4.24Å; K17-V65 HydrophobicContact CB-CG2 4.49Å; K17-V65 HydrophobicContact CD-CG2 4.35Å; K17-E605 IonicContact NZ-OE2 3.8Å; K17-E605 PolarHBondContact NZ-OE2 3.26Å
18L94.8Very high83.9Confident0 Ų050.1 Ų50.10%026%0.261CS..Hα-helixtrans-61.1-45.7177.7179.952.4000112G14 Q16 S22 V65 V69 L88 A91 S95 L595 V596 V599G14-L18 PolarHBondContact O-N 3.15Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; Q16-L18 PolarHBondContact O-N 2.96Å; L18-S22 WeakPolarHBondContact O-CB 3.37Å; L18-S22 PolarHBondContact O-N 2.86Å; L18-V65 HydrophobicContact CB-CG1 3.98Å; L18-V69 HydrophobicContact CD1-CG2 3.44Å; L18-V69 VanDerWaalsContact CD1-CG2 3.44Å; L18-L88 HydrophobicContact CD1-CD1 3.94Å; L18-A91 HydrophobicContact CD1-CB 4.35Å; L18-A91 HydrophobicContact CD2-CB 4.47Å; L18-S95 WeakPolarHBondContact CD2-OG 3.31Å; L18-S95 WeakPolarHBondContact CG-OG 3.37Å; L18-L595 HydrophobicContact CD1-CD2 4.02Å; L18-L595 HydrophobicContact CD2-CD2 4.35Å; L18-L595 HydrophobicContact CD2-CG 4.1Å; L18-V596 HydrophobicContact CD2-CG2 4.04Å; L18-V599 HydrophobicContact CD2-CG2 4.42Å
19S93.9Very high85.8Confident14 Ų1445.9 Ų45.910%0.09824%0.238CC..Hα-helixtrans-65.6-39.4177.7-157.30000112.9L15 Q16 S22 G23 G92 R96L15-S19 WeakPolarHBondContact O-CB 3.34Å; L15-S19 PolarHBondContact O-N 3.39Å; Q16-S19 PolarHBondContact O-N 3.34Å; S19-S22 PolarHBondContact O-N 3.24Å; S19-G23 PolarHBondContact O-N 3.02Å; S19-G92 PolarHBondContact OG-O 3.35Å; S19-R96 WeakPolarHBondContact OG-CG 3.28Å; S19-R96 PolarHBondContact OG-NH1 3.47Å
20A91.8Very high87.3Confident46 Ų4642.2 Ų42.238%0.3822%0.216SC..Hα-helixtrans-64.2-47177.400000111.7Q16 K17 S22 G23 R24 M619Q16-A20 WeakPolarHBondContact O-CB 3.16Å; Q16-A20 PolarHBondContact O-N 3.28Å; K17-A20 PolarHBondContact O-N 3.48Å; A20-S22 VanDerWaalsContact C-N 3.34Å; A20-S22 PolarHBondContact O-N 3.5Å; A20-G23 PolarHBondContact O-N 3.29Å; A20-G23 VanDerWaalsContact O-N 3.1Å; A20-R24 PolarHBondContact O-N 2.93Å; A20-M619 HydrophobicContact CB-CE 4Å
21L91.4Very high88.1Confident24 Ų2436.5 Ų36.513%0.12620%0.201CC..Hα-helixtrans-59.5-45.6177-177.862.1000111.5K17 G23 R24 I25 V69K17-L21 WeakPolarHBondContact O-CB 3.46Å; K17-L21 PolarHBondContact O-N 3.01Å; L21-G23 VanDerWaalsContact C-N 3.31Å; L21-G23 PolarHBondContact O-N 2.98Å; L21-R24 PolarHBondContact O-N 2.99Å; L21-R24 VanDerWaalsContact O-N 3.17Å; L21-I25 PolarHBondContact O-N 2.82Å; L21-V69 HydrophobicContact CD2-CB 3.98Å; L21-V69 HydrophobicContact CD2-CG1 3.71Å; L21-V69 HydrophobicContact CD2-CG2 3.99Å
22S92.3Very high88.5Confident2 Ų236.5 Ų36.51%0.01420%0.199CC..Hα-helixtrans-60.6-37.6173.5-179.70000112.9L18 S19 A20 R24 I25 R26 L88 F89 G92L18-S22 WeakPolarHBondContact O-CB 3.37Å; L18-S22 PolarHBondContact O-N 2.86Å; S19-S22 PolarHBondContact O-N 3.24Å; A20-S22 VanDerWaalsContact C-N 3.34Å; A20-S22 PolarHBondContact O-N 3.5Å; S22-R24 VanDerWaalsContact C-N 3.28Å; S22-R24 PolarHBondContact O-N 3.37Å; S22-I25 VanDerWaalsContact O-CG1 3.26Å; S22-I25 WeakPolarHBondContact O-CG1 3.35Å; S22-I25 PolarHBondContact O-N 2.88Å; S22-R26 PolarHBondContact O-N 2.9Å; S22-L88 VanDerWaalsContact CB-O 3.28Å; S22-L88 WeakPolarHBondContact CB-O 3.46Å; S22-L88 PolarHBondContact OG-O 2.92Å; S22-F89 WeakPolarHBondContact OG-CA 3.23Å; S22-F89 PolarHBondContact OG-O 3.5Å; S22-G92 WeakPolarHBondContact OG-CA 3.45Å
23G88.9Confident88.3Confident44 Ų4440.3 Ų40.345%0.45422%0.216SC..Hα-helixtrans-59.5-36.8174.600000113.2S19 A20 L21 I25 R26S19-G23 PolarHBondContact O-N 3.02Å; A20-G23 PolarHBondContact O-N 3.29Å; A20-G23 VanDerWaalsContact O-N 3.1Å; L21-G23 VanDerWaalsContact C-N 3.31Å; L21-G23 PolarHBondContact O-N 2.98Å; G23-I25 VanDerWaalsContact C-N 3.34Å; G23-I25 PolarHBondContact O-N 2.82Å; G23-R26 WeakPolarHBondContact O-CB 3.13Å; G23-R26 PolarHBondContact O-N 3.02Å
24R86.9Confident88Confident138 Ų13842.3 Ų42.352%0.52123%0.225SC..Hα-helixtrans-71.8-24.2-180-64.1-61.6-169.5161.214113.6A20 L21 S22 K36 L621A20-R24 PolarHBondContact O-N 2.93Å; L21-R24 PolarHBondContact O-N 2.99Å; L21-R24 VanDerWaalsContact O-N 3.17Å; S22-R24 VanDerWaalsContact C-N 3.28Å; S22-R24 PolarHBondContact O-N 3.37Å; R24-K36 PolarHBondContact O-NZ 3.12Å; R24-L621 PolarHBondContact NH2-O 3.38Å
25I85.3Confident87.7Confident2 Ų245.4 Ų45.41%0.0124%0.235CC..THydrogen-bonded Turntrans-100.18.5179.564.2126.7000113.2L21 S22 G23 S27 S28 C52 I55 L88L21-I25 PolarHBondContact O-N 2.82Å; S22-I25 VanDerWaalsContact O-CG1 3.26Å; S22-I25 WeakPolarHBondContact O-CG1 3.35Å; S22-I25 PolarHBondContact O-N 2.88Å; G23-I25 VanDerWaalsContact C-N 3.34Å; G23-I25 PolarHBondContact O-N 2.82Å; I25-S27 PolarHBondContact O-N 3.4Å; I25-S27 VanDerWaalsContact O-N 3.11Å; I25-S28 VanDerWaalsContact O-CB 3.29Å; I25-S28 WeakPolarHBondContact O-CB 3.29Å; I25-S28 PolarHBondContact O-N 3.35Å; I25-C52 HydrophobicContact CD1-CB 4.41Å; I25-I55 HydrophobicContact CG2-CG2 4.18Å; I25-L88 HydrophobicContact CD1-CB 3.65Å; I25-L88 HydrophobicContact CD1-CD2 3.48Å; I25-L88 VanDerWaalsContact CD1-CD2 3.48Å; I25-L88 HydrophobicContact CD1-CG 3.54Å; I25-L88 HydrophobicContact CG1-CD2 3.78Å; I25-L88 HydrophobicContact CG1-CG 4.08Å
26R87.9Confident87.3Confident95 Ų9548 Ų4836%0.35825%0.246SC..G310 helixtrans-52.7-33.7178.6172.6163.8-172.9-171.84.8113.6S22 G23 S28 F89 A517 N521S22-R26 PolarHBondContact O-N 2.9Å; G23-R26 WeakPolarHBondContact O-CB 3.13Å; G23-R26 PolarHBondContact O-N 3.02Å; R26-S28 PolarHBondContact O-N 3.2Å; R26-F89 HydrophobicContact CB-CE2 4.28Å; R26-F89 HydrophobicContact CG-CE2 3.95Å; R26-A517 HydrophobicContact CG-CB 4.11Å; R26-N521 PolarHBondContact O-ND2 3.09Å
27S86.9Confident87.1Confident25 Ų2551 Ų5118%0.17526%0.258CS..G310 helixtrans-76.41.2178.564.80000114.6I25 N34I25-S27 PolarHBondContact O-N 3.4Å; I25-S27 VanDerWaalsContact O-N 3.11Å; S27-N34 WeakPolarHBondContact CB-ND2 3.19Å; S27-N34 PolarHBondContact O-N 3.39Å
28S85.2Confident86.8Confident3 Ų350.4 Ų50.42%0.02126%0.257CS..G310 helixtrans-103.410.7-178.3-56.80000113I25 R26 K33 I55I25-S28 VanDerWaalsContact O-CB 3.29Å; I25-S28 WeakPolarHBondContact O-CB 3.29Å; I25-S28 PolarHBondContact O-N 3.35Å; R26-S28 PolarHBondContact O-N 3.2Å; S28-K33 WeakPolarHBondContact O-CE 3.46Å; S28-I55 WeakPolarHBondContact OG-CD1 3.34Å
29V87.1Confident86.5Confident3 Ų356.4 Ų56.42%0.01829%0.285CS..SBendtrans-110.8141.9-177.6-175.20000110.5F89 Y514 V518 N521V29-F89 HydrophobicContact CG2-CB 4.16Å; V29-F89 HydrophobicContact CG2-CD2 4.01Å; V29-F89 HydrophobicContact CG2-CG 4.42Å; V29-Y514 HydrophobicContact CG1-CD2 4Å; V29-Y514 HydrophobicContact CG1-CE2 3.27Å; V29-V518 HydrophobicContact CG1-CG2 3.71Å; V29-N521 PolarHBondContact O-ND2 3.17Å
30G82.6Confident86Confident21 Ų2159 Ų5922%0.21630%0.298CS..SBendtrans91.4-178.8-177.100000113.3K33G30-K33 VanDerWaalsContact O-CE 3.25Å; G30-K33 WeakPolarHBondContact O-CE 3.48Å; G30-K33 WeakPolarHBondContact O-CG 3.05Å
31P76Confident85.5Confident55 Ų5566.1 Ų66.136%0.35732%0.323SS..SBendtrans-70.5-33.4-178.926.1-32.2000112.5K33 H210P31-K33 PolarHBondContact O-N 3.39Å; P31-H210 VanDerWaalsContact CB-O 3.27Å; P31-H210 WeakPolarHBondContact CB-O 3.48Å
32F78.9Confident85.1Confident114 Ų11470.1 Ų70.150%0.535%0.353SS..SBendtrans-96.784.8179.9-58.8-76.4000110.4N521 T522F32-N521 WeakPolarHBondContact CB-O 3.4Å; F32-T522 HydrophobicContact CD2-CG2 4.06Å; F32-T522 HydrophobicContact CE2-CG2 4.36Å
33K82.8Confident84.6Confident91 Ų9173 Ų7340%0.39637%0.373SS..PPolyproline II helixtrans-89.5138.6179.3-59.8176.6-174.9162.40110.6S28 G30 P31 C50S28-K33 WeakPolarHBondContact O-CE 3.46Å; G30-K33 VanDerWaalsContact O-CE 3.25Å; G30-K33 WeakPolarHBondContact O-CE 3.48Å; G30-K33 WeakPolarHBondContact O-CG 3.05Å; P31-K33 PolarHBondContact O-N 3.39Å; K33-C50 HydrophobicContact CB-CB 4.33Å
34N82.8Confident84.2Confident92 Ų9272.9 Ų72.949%0.49237%0.372SS..PPolyproline II helixtrans-80.3128.2171.9-67.9-16.4000110.3S27S27-N34 WeakPolarHBondContact CB-ND2 3.19Å; S27-N34 PolarHBondContact O-N 3.39Å
35Y85.1Confident83.9Confident72 Ų7271.9 Ų71.928%0.28238%0.377SS..PPolyproline II helixtrans-69.2141.6167.3-72.1-89.4000110.2L48 V49 C50 A442 Q446Y35-L48 HydrophobicContact CD1-CD1 4.33Å; Y35-L48 HydrophobicContact CD1-CD2 3.99Å; Y35-L48 HydrophobicContact CD1-CG 3.79Å; Y35-L48 HydrophobicContact CE1-CD2 4.45Å; Y35-L48 HydrophobicContact CG-CD1 4.48Å; Y35-L48 HydrophobicContact CG-CG 4.39Å; Y35-V49 CarbonylContact C-O 3.59Å; Y35-V49 WeakPolarHBondContact CA-O 3.38Å; Y35-C50 HydrophobicContact CD1-CB 3.7Å; Y35-C50 HydrophobicContact CE1-CB 3.83Å; Y35-C50 HydrophobicContact CG-CB 4.12Å; Y35-A442 HydrophobicContact CE1-CB 3.82Å; Y35-Q446 PolarHBondContact OH-NE2 3.08Å; Y35-Q446 VanDerWaalsContact OH-NE2 3.11Å
36K87.7Confident83.8Confident54 Ų5474.9 Ų74.924%0.23540%0.398CS..EExtended strand (participates in β ladder)trans-119.1134.8172.9-58.3-169.1-179.5-168.30108.1R24 V49 I55R24-K36 PolarHBondContact O-NZ 3.12Å; K36-V49 HydrophobicContact CB-CG2 4.24Å; K36-V49 PolarHBondContact N-O 3.43Å; K36-V49 PolarHBondContact O-N 2.88Å; K36-I55 HydrophobicContact CD-CD1 3.79Å; K36-I55 HydrophobicContact CD-CG1 4.11Å; K36-I55 HydrophobicContact CD-CG2 4.38Å; K36-I55 HydrophobicContact CG-CD1 4.33Å
37F87.8Confident83.6Confident135 Ų13571.4 Ų71.459%0.59239%0.387SS*.EExtended strand (participates in β ladder)trans-97.8119.2172.2-170.2-102.5000107.2Q39 S46 V47 L48F37-Q39 HydrophobicContact CE1-CB 4.4Å; F37-S46 WeakPolarHBondContact CZ-OG 3.4Å; F37-V47 WeakPolarHBondContact CA-O 3.44Å; F37-L48 HydrophobicContact CB-CD1 4.43Å; F37-L48 HydrophobicContact CD2-CD1 4.3Å
38I87.1Confident83.5Confident29 Ų2971.7 Ų71.715%0.14939%0.387CS..EExtended strand (participates in β ladder)trans-112.5128.7177.9-57.7174.7000106.3S46 V47 V49 N58 L59I38-S46 CarbonylContact O-C 3.59Å; I38-S46 VanDerWaalsContact O-CA 3.3Å; I38-S46 WeakPolarHBondContact O-CA 3.4Å; I38-V47 HydrophobicContact CB-CG1 3.87Å; I38-V47 PolarHBondContact N-O 3.02Å; I38-V47 PolarHBondContact O-N 3.26Å; I38-V49 HydrophobicContact CD1-CG2 3.6Å; I38-V49 HydrophobicContact CG1-CG2 4.12Å; I38-N58 HydrophobicContact CD1-CB 3.83Å; I38-N58 HydrophobicContact CG2-CB 4.35Å; I38-L59 HydrophobicContact CD1-CD2 4.46Å; I38-L59 HydrophobicContact CD1-CG 4.35Å
39Q87.2Confident83.6Confident126 Ų12671.7 Ų71.759%0.58939%0.387SS*.EExtended strand (participates in β ladder)trans-118.1129.5177.3-176.7173.221.300107.9F37 D45F37-Q39 HydrophobicContact CE1-CB 4.4Å; Q39-D45 CarbonylContact C-O 3.58Å; Q39-D45 WeakPolarHBondContact CA-O 3.43Å
40D83.5Confident83.4Confident68 Ų6872 Ų7236%0.36439%0.389SS..  trans-80.4121.8168.5172.728.5000108.7S42 S43 G44 D45D40-S42 VanDerWaalsContact CG-OG 3.28Å; D40-S42 PolarHBondContact O-N 2.91Å; D40-S42 PolarHBondContact OD1-N 3.22Å; D40-S42 PolarHBondContact OD1-OG 2.96Å; D40-S42 PolarHBondContact OD2-OG 3.11Å; D40-S43 WeakPolarHBondContact CB-OG 3.47Å; D40-S43 WeakPolarHBondContact OD2-CB 3.46Å; D40-S43 PolarHBondContact OD2-N 2.78Å; D40-S43 PolarHBondContact OD2-OG 3.43Å; D40-G44 WeakPolarHBondContact O-CA 3.47Å; D40-G44 PolarHBondContact O-N 2.7Å; D40-D45 PolarHBondContact N-O 3.1Å
41E82.3Confident83.7Confident196 Ų19671.8 Ų71.892%0.91638%0.384SS*.THydrogen-bonded Turntrans-68.3-26.9180-64-169.8164.700112
42S82.2Confident84.3Confident108 Ų10869.3 Ų69.376%0.75537%0.368SS*.THydrogen-bonded Turntrans-81.9-46.9-17472.30000113.1D40D40-S42 VanDerWaalsContact CG-OG 3.28Å; D40-S42 PolarHBondContact O-N 2.91Å; D40-S42 PolarHBondContact OD1-N 3.22Å; D40-S42 PolarHBondContact OD1-OG 2.96Å; D40-S42 PolarHBondContact OD2-OG 3.11Å
43S82.4Confident85Confident63 Ų6364.4 Ų64.444%0.44135%0.346SS..THydrogen-bonded Turntrans-88-23.2176.1630000113.5D40 D45D40-S43 WeakPolarHBondContact CB-OG 3.47Å; D40-S43 WeakPolarHBondContact OD2-CB 3.46Å; D40-S43 PolarHBondContact OD2-N 2.78Å; D40-S43 PolarHBondContact OD2-OG 3.43Å; S43-D45 PolarHBondContact O-N 3.11Å; S43-D45 VanDerWaalsContact OG-CB 3.27Å; S43-D45 WeakPolarHBondContact OG-CB 3.47Å; S43-D45 PolarHBondContact OG-N 3.37Å
44G80.4Confident85.4Confident41 Ų4161.6 Ų61.642%0.42333%0.333SS..  trans75.71.5-167.200000113.7D40D40-G44 WeakPolarHBondContact O-CA 3.47Å; D40-G44 PolarHBondContact O-N 2.7Å
45D80Confident85.8Confident116 Ų11657.3 Ų57.362%0.6231%0.31SS*.  trans-66151.5176.8-72.7-24000110.7Q39 D40 S43Q39-D45 CarbonylContact C-O 3.58Å; Q39-D45 WeakPolarHBondContact CA-O 3.43Å; D40-D45 PolarHBondContact N-O 3.1Å; S43-D45 PolarHBondContact O-N 3.11Å; S43-D45 VanDerWaalsContact OG-CB 3.27Å; S43-D45 WeakPolarHBondContact OG-CB 3.47Å; S43-D45 PolarHBondContact OG-N 3.37Å
46S82.9Confident86.1Confident66 Ų6654 Ų5446%0.46230%0.298SS..EExtended strand (participates in β ladder)trans-140.8146.5-179.561.30000112.4F37 I38F37-S46 WeakPolarHBondContact CZ-OG 3.4Å; I38-S46 CarbonylContact O-C 3.59Å; I38-S46 VanDerWaalsContact O-CA 3.3Å; I38-S46 WeakPolarHBondContact O-CA 3.4Å
47V83.8Confident86.3Confident22 Ų2253.9 Ų53.913%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-135.5141.4-176.969.80000110.5F37 I38 V49 N58 Q441F37-V47 WeakPolarHBondContact CA-O 3.44Å; I38-V47 HydrophobicContact CB-CG1 3.87Å; I38-V47 PolarHBondContact N-O 3.02Å; I38-V47 PolarHBondContact O-N 3.26Å; V47-V49 HydrophobicContact CB-CG1 4.4Å; V47-V49 HydrophobicContact CG1-CG1 3.94Å; V47-V49 HydrophobicContact CG2-CG1 3.7Å; V47-N58 HydrophobicContact CG1-CB 4.12Å; V47-Q441 VanDerWaalsContact CG2-OE1 3.31Å
48L86.3Confident86.3Confident31 Ų3150.2 Ų50.216%0.16228%0.284CS..EExtended strand (participates in β ladder)trans-105.4111.8175.1-17372000109.1Y35 F37 F182Y35-L48 HydrophobicContact CD1-CD1 4.33Å; Y35-L48 HydrophobicContact CD1-CD2 3.99Å; Y35-L48 HydrophobicContact CD1-CG 3.79Å; Y35-L48 HydrophobicContact CE1-CD2 4.45Å; Y35-L48 HydrophobicContact CG-CD1 4.48Å; Y35-L48 HydrophobicContact CG-CG 4.39Å; F37-L48 HydrophobicContact CB-CD1 4.43Å; F37-L48 HydrophobicContact CD2-CD1 4.3Å; L48-F182 HydrophobicContact CD2-CE1 4.01Å; L48-F182 HydrophobicContact CD2-CZ 4.25Å
49V87.3Confident86.3Confident3 Ų351.9 Ų51.92%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-125.8143.5-172.4-62.10000111.6Y35 K36 I38 V47 R54 I55Y35-V49 CarbonylContact C-O 3.59Å; Y35-V49 WeakPolarHBondContact CA-O 3.38Å; K36-V49 HydrophobicContact CB-CG2 4.24Å; K36-V49 PolarHBondContact N-O 3.43Å; K36-V49 PolarHBondContact O-N 2.88Å; I38-V49 HydrophobicContact CD1-CG2 3.6Å; I38-V49 HydrophobicContact CG1-CG2 4.12Å; V47-V49 HydrophobicContact CB-CG1 4.4Å; V47-V49 HydrophobicContact CG1-CG1 3.94Å; V47-V49 HydrophobicContact CG2-CG1 3.7Å; V49-R54 HydrophobicContact CB-CB 3.81Å; V49-R54 HydrophobicContact CG1-CB 3.65Å; V49-I55 HydrophobicContact CB-CG1 4.31Å; V49-I55 HydrophobicContact CG2-CB 4.46Å; V49-I55 HydrophobicContact CG2-CG1 3.58Å
50C83.3Confident86.2Confident9 Ų953 Ų536%0.06130%0.298CS..  trans-128.6-17.4174.663.50000113.5K33 Y35K33-C50 HydrophobicContact CB-CB 4.33Å; Y35-C50 HydrophobicContact CD1-CB 3.7Å; Y35-C50 HydrophobicContact CE1-CB 3.83Å; Y35-C50 HydrophobicContact CG-CB 4.12Å
51S87.3Confident86.3Confident17 Ų1750.8 Ų50.812%0.11929%0.288CS..SBendtrans-83.5144.2179.480.20000110.8F53 R54 I55S51-F53 PolarHBondContact O-N 2.93Å; S51-R54 PolarHBondContact O-N 3.39Å; S51-R54 WeakPolarHBondContact OG-CB 3.35Å; S51-R54 WeakPolarHBondContact OG-CG 3.42Å; S51-R54 PolarHBondContact OG-N 3.19Å; S51-I55 WeakPolarHBondContact O-CD1 3.42Å; S51-I55 VanDerWaalsContact O-CG1 3.3Å; S51-I55 WeakPolarHBondContact O-CG1 3.39Å; S51-I55 PolarHBondContact O-N 3.37Å
52C90.3Very high86.4Confident2 Ų247.9 Ų47.91%0.01428%0.284CS..Hα-helixtrans-54.5-41.6177172.30000112I25 I56I25-C52 HydrophobicContact CD1-CB 4.41Å; C52-I56 WeakPolarHBondContact O-CD1 3.48Å; C52-I56 VanDerWaalsContact O-CG1 3.32Å; C52-I56 WeakPolarHBondContact O-CG1 3.49Å; C52-I56 PolarHBondContact O-N 2.94Å
53F92.2Very high86.5Confident11 Ų1144.9 Ų44.95%0.04826%0.262CS..Hα-helixtrans-62.3-51.6179.8169.9-110.3000111.4S51 I55 I56 E57 Y70 V73 R74 H77S51-F53 PolarHBondContact O-N 2.93Å; F53-I55 VanDerWaalsContact C-N 3.31Å; F53-I55 PolarHBondContact O-N 3.1Å; F53-I56 PolarHBondContact O-N 3.44Å; F53-E57 HydrophobicContact CZ-CB 4.49Å; F53-E57 VanDerWaalsContact CZ-OE1 3.26Å; F53-E57 WeakPolarHBondContact CZ-OE1 3.27Å; F53-E57 WeakPolarHBondContact O-CB 3.35Å; F53-E57 PolarHBondContact O-N 3.32Å; F53-Y70 HydrophobicContact CE2-CE2 4.27Å; F53-V73 HydrophobicContact CB-CG1 4.01Å; F53-V73 HydrophobicContact CD2-CG1 4.12Å; F53-R74 HydrophobicContact CE2-CB 3.88Å; F53-R74 HydrophobicContact CE2-CG 4Å; F53-H77 HydrophobicContact CB-CB 4.2Å; F53-H77 HydrophobicContact CD1-CB 4.33Å; F53-H77 AromaticContact CD1-CD2 3.34Å; F53-H77 WeakPolarHBondContact CD1-CD2 3.26Å; F53-H77 AromaticContact CD1-CG 3.66Å; F53-H77 AromaticContact CD1-NE2 3.65Å; F53-H77 HydrophobicContact CD2-CB 3.99Å; F53-H77 AromaticContact CE1-CD2 3.5Å; F53-H77 VanDerWaalsContact CE1-CD2 3.5Å; F53-H77 WeakPolarHBondContact CE1-CD2 3.32Å; F53-H77 AromaticContact CE1-NE2 3.91Å; F53-H77 HydrophobicContact CG-CB 3.89Å; F53-H77 AromaticContact CG-CD2 3.82Å; F53-H77 AromaticContact CG-CG 3.66Å
54R91.6Very high86.9Confident33 Ų3344.2 Ų44.213%0.12526%0.26CS..Hα-helixtrans-63.8-36.4180-65.8-56.8-177.91775112.9V49 S51 I56 E57 N58 Q441 D445V49-R54 HydrophobicContact CB-CB 3.81Å; V49-R54 HydrophobicContact CG1-CB 3.65Å; S51-R54 PolarHBondContact O-N 3.39Å; S51-R54 WeakPolarHBondContact OG-CB 3.35Å; S51-R54 WeakPolarHBondContact OG-CG 3.42Å; S51-R54 PolarHBondContact OG-N 3.19Å; R54-I56 VanDerWaalsContact C-N 3.32Å; R54-I56 PolarHBondContact O-N 3.35Å; R54-E57 WeakPolarHBondContact CD-OE2 3.34Å; R54-E57 IonicContact CZ-OE2 2.64Å; R54-E57 IonicContact NE-OE2 3.14Å; R54-E57 IonicContact NH1-OE1 3.81Å; R54-E57 IonicContact NH1-OE2 3.05Å; R54-E57 PolarHBondContact NH1-OE2 3.1Å; R54-E57 PolarHBondContact O-N 3.4Å; R54-N58 WeakPolarHBondContact O-CB 3.31Å; R54-N58 PolarHBondContact O-N 3.41Å; R54-N58 PolarHBondContact O-ND2 3.45Å; R54-Q441 VanDerWaalsContact NH1-NE2 3.19Å; R54-D445 WeakPolarHBondContact CG-OD2 3.26Å; R54-D445 IonicContact CZ-OD1 3.78Å; R54-D445 IonicContact CZ-OD2 3.42Å; R54-D445 IonicContact NE-OD1 2.82Å; R54-D445 PolarHBondContact NE-OD1 3.35Å; R54-D445 IonicContact NE-OD2 3.8Å; R54-D445 PolarHBondContact NE-OD2 3.01Å; R54-D445 IonicContact NH2-OD1 3.84Å; R54-D445 PolarHBondContact NH2-OD1 2.88Å; R54-D445 IonicContact NH2-OD2 2.61Å
55I90.9Very high87.4Confident2 Ų242.8 Ų42.81%0.0124%0.243CC..Hα-helixtrans-59.4-46.8175.9-68.5162.2000110.1I25 S28 K36 V49 S51 F53 L59I25-I55 HydrophobicContact CG2-CG2 4.18Å; S28-I55 WeakPolarHBondContact OG-CD1 3.34Å; K36-I55 HydrophobicContact CD-CD1 3.79Å; K36-I55 HydrophobicContact CD-CG1 4.11Å; K36-I55 HydrophobicContact CD-CG2 4.38Å; K36-I55 HydrophobicContact CG-CD1 4.33Å; V49-I55 HydrophobicContact CB-CG1 4.31Å; V49-I55 HydrophobicContact CG2-CB 4.46Å; V49-I55 HydrophobicContact CG2-CG1 3.58Å; S51-I55 WeakPolarHBondContact O-CD1 3.42Å; S51-I55 VanDerWaalsContact O-CG1 3.3Å; S51-I55 WeakPolarHBondContact O-CG1 3.39Å; S51-I55 PolarHBondContact O-N 3.37Å; F53-I55 VanDerWaalsContact C-N 3.31Å; F53-I55 PolarHBondContact O-N 3.1Å; I55-L59 HydrophobicContact CG2-CD1 3.81Å; I55-L59 HydrophobicContact CG2-CG 4.48Å; I55-L59 WeakPolarHBondContact O-CB 3.36Å; I55-L59 WeakPolarHBondContact O-CG 3.28Å; I55-L59 PolarHBondContact O-N 2.89Å; I55-L59 VanDerWaalsContact O-N 3.14Å
56I91.6Very high88Confident3 Ų337.4 Ų37.42%0.01522%0.215CC..Hα-helixtrans-73.5-38.3-177.9-58.7163000111.1C52 F53 R54 N58 L59 E60 P61 V69 Y70 V73 L88C52-I56 WeakPolarHBondContact O-CD1 3.48Å; C52-I56 VanDerWaalsContact O-CG1 3.32Å; C52-I56 WeakPolarHBondContact O-CG1 3.49Å; C52-I56 PolarHBondContact O-N 2.94Å; F53-I56 PolarHBondContact O-N 3.44Å; R54-I56 VanDerWaalsContact C-N 3.32Å; R54-I56 PolarHBondContact O-N 3.35Å; I56-N58 VanDerWaalsContact C-N 3.32Å; I56-N58 PolarHBondContact O-N 2.86Å; I56-L59 PolarHBondContact O-N 3.28Å; I56-E60 PolarHBondContact O-N 3.22Å; I56-P61 HydrophobicContact CG2-CG 4.01Å; I56-P61 WeakPolarHBondContact O-CD 3.18Å; I56-V69 HydrophobicContact CD1-CG1 3.94Å; I56-Y70 HydrophobicContact CG2-CD2 3.83Å; I56-Y70 HydrophobicContact CG2-CG 4.31Å; I56-V73 HydrophobicContact CD1-CB 4.38Å; I56-V73 HydrophobicContact CD1-CG1 4.3Å; I56-V73 HydrophobicContact CD1-CG2 4.03Å; I56-L88 HydrophobicContact CD1-CD2 3.45Å; I56-L88 VanDerWaalsContact CD1-CD2 3.45Å; I56-L88 HydrophobicContact CG1-CD2 4.43Å
57E91.8Very high88.5Confident51 Ų5138.1 Ų38.124%0.23821%0.211CC..Hα-helixtrans-56.5-45.9175.9-176.9176.9-120.400111.5F53 R54 E60 Y70F53-E57 HydrophobicContact CZ-CB 4.49Å; F53-E57 VanDerWaalsContact CZ-OE1 3.26Å; F53-E57 WeakPolarHBondContact CZ-OE1 3.27Å; F53-E57 WeakPolarHBondContact O-CB 3.35Å; F53-E57 PolarHBondContact O-N 3.32Å; R54-E57 WeakPolarHBondContact CD-OE2 3.34Å; R54-E57 IonicContact CZ-OE2 2.64Å; R54-E57 IonicContact NE-OE2 3.14Å; R54-E57 IonicContact NH1-OE1 3.81Å; R54-E57 IonicContact NH1-OE2 3.05Å; R54-E57 PolarHBondContact NH1-OE2 3.1Å; R54-E57 PolarHBondContact O-N 3.4Å; E57-E60 WeakPolarHBondContact O-CG 3.49Å; E57-Y70 HydrophobicContact CB-CE2 3.99Å; E57-Y70 HydrophobicContact CG-CE2 4.32Å
58N88.9Confident89Confident57 Ų5740.3 Ų40.331%0.30522%0.221SC..Hα-helixtrans-83.6-11.1-178.7-69.4-85.4000114I38 V47 R54 I56I38-N58 HydrophobicContact CD1-CB 3.83Å; I38-N58 HydrophobicContact CG2-CB 4.35Å; V47-N58 HydrophobicContact CG1-CB 4.12Å; R54-N58 WeakPolarHBondContact O-CB 3.31Å; R54-N58 PolarHBondContact O-N 3.41Å; R54-N58 PolarHBondContact O-ND2 3.45Å; I56-N58 VanDerWaalsContact C-N 3.32Å; I56-N58 PolarHBondContact O-N 2.86Å
59L86.8Confident89.5Confident65 Ų6538.8 Ų38.834%0.3421%0.214SC..Hα-helixtrans-88.2-12.5173.4-75.3176.4000112.9I38 I55 I56 L621I38-L59 HydrophobicContact CD1-CD2 4.46Å; I38-L59 HydrophobicContact CD1-CG 4.35Å; I55-L59 HydrophobicContact CG2-CD1 3.81Å; I55-L59 HydrophobicContact CG2-CG 4.48Å; I55-L59 WeakPolarHBondContact O-CB 3.36Å; I55-L59 WeakPolarHBondContact O-CG 3.28Å; I55-L59 PolarHBondContact O-N 2.89Å; I55-L59 VanDerWaalsContact O-N 3.14Å; I56-L59 PolarHBondContact O-N 3.28Å; L59-L621 HydrophobicContact CD2-CD2 3.8Å
60E85.3Confident89.9Confident149 Ų14940.6 Ų40.670%0.69622%0.221SC*.  trans40.860.2177-60.5-168.2159.300113.9I56 E57 T62I56-E60 PolarHBondContact O-N 3.22Å; E57-E60 WeakPolarHBondContact O-CG 3.49Å; E60-T62 PolarHBondContact O-N 3.31Å; E60-T62 VanDerWaalsContact O-N 3.13Å
61P85.5Confident90.5Very high21 Ų2144.5 Ų44.514%0.13624%0.238CC..  trans-65119.9-167.427.9-36.7000111.7I56 G66 Q67I56-P61 HydrophobicContact CG2-CG 4.01Å; I56-P61 WeakPolarHBondContact O-CD 3.18Å; P61-G66 WeakPolarHBondContact CG-O 3.46Å; P61-Q67 WeakPolarHBondContact O-CG 3.27Å; P61-Q67 PolarHBondContact O-NE2 3.19Å
62T83.3Confident90.9Very high136 Ų13645.3 Ų45.383%0.83424%0.242SC*.  trans-83.4-21.6-173.857.50000114.4E60E60-T62 PolarHBondContact O-N 3.31Å; E60-T62 VanDerWaalsContact O-N 3.13Å
63C85.1Confident91.2Very high45 Ų4545.2 Ų45.230%0.30424%0.242SC..SBendtrans-73.1151.4179.573.30000112.5V65 G66 Q67C63-V65 PolarHBondContact O-N 3Å; C63-G66 CarbonylContact O-C 3.59Å; C63-G66 WeakPolarHBondContact O-CA 3.48Å; C63-G66 PolarHBondContact O-N 3Å; C63-G66 PolarHBondContact SG-N 3.48Å; C63-Q67 PolarHBondContact O-N 2.88Å
64A89.8Confident91.3Very high48 Ų4848.6 Ų48.640%0.39725%0.254SS..Hα-helixtrans-55.2-46.8-175.400000113.5G66 Q67 L68 E605A64-G66 VanDerWaalsContact C-N 3.29Å; A64-G66 PolarHBondContact O-N 2.8Å; A64-Q67 PolarHBondContact O-N 3.39Å; A64-L68 WeakPolarHBondContact O-CG 3.38Å; A64-L68 PolarHBondContact O-N 3.05Å; A64-E605 WeakPolarHBondContact CB-OE1 3.06Å
65V92.1Very high91.5Very high12 Ų1248.5 Ų48.57%0.07326%0.263CS..Hα-helixtrans-62.8-37.8175.9176.80000111.6K17 L18 C63 L68 V69K17-V65 HydrophobicContact CB-CB 4.34Å; K17-V65 HydrophobicContact CB-CG1 4.24Å; K17-V65 HydrophobicContact CB-CG2 4.49Å; K17-V65 HydrophobicContact CD-CG2 4.35Å; L18-V65 HydrophobicContact CB-CG1 3.98Å; C63-V65 PolarHBondContact O-N 3Å; V65-L68 PolarHBondContact O-N 3Å; V65-V69 HydrophobicContact CG1-CG2 4.47Å; V65-V69 WeakPolarHBondContact O-CB 3.39Å; V65-V69 VanDerWaalsContact O-CG2 3.22Å; V65-V69 WeakPolarHBondContact O-CG2 3.33Å; V65-V69 PolarHBondContact O-N 3.33Å
66G92.3Very high91.7Very high2 Ų248.4 Ų48.42%0.02126%0.263CS..Hα-helixtrans-64.3-42.3176.900000112.5P61 C63 A64 V69 Y70P61-G66 WeakPolarHBondContact CG-O 3.46Å; C63-G66 CarbonylContact O-C 3.59Å; C63-G66 WeakPolarHBondContact O-CA 3.48Å; C63-G66 PolarHBondContact O-N 3Å; C63-G66 PolarHBondContact SG-N 3.48Å; A64-G66 VanDerWaalsContact C-N 3.29Å; A64-G66 PolarHBondContact O-N 2.8Å; G66-V69 WeakPolarHBondContact O-CB 3.43Å; G66-V69 PolarHBondContact O-N 3.06Å; G66-Y70 WeakPolarHBondContact O-CB 3.49Å; G66-Y70 PolarHBondContact O-N 2.67Å
67Q93.5Very high91.9Very high82 Ų8248.7 Ų48.738%0.38326%0.264SS..Hα-helixtrans-64.6-42.7173.5-72.9-66.5-25.900112.3P61 C63 A64 V69 Y70 E71P61-Q67 WeakPolarHBondContact O-CG 3.27Å; P61-Q67 PolarHBondContact O-NE2 3.19Å; C63-Q67 PolarHBondContact O-N 2.88Å; A64-Q67 PolarHBondContact O-N 3.39Å; Q67-V69 VanDerWaalsContact C-N 3.31Å; Q67-V69 PolarHBondContact O-N 3.27Å; Q67-Y70 PolarHBondContact O-N 2.91Å; Q67-E71 PolarHBondContact O-N 2.81Å
68L95.1Very high91.9Very high67 Ų6752.1 Ų52.135%0.35128%0.278SS..Hα-helixtrans-58.9-43.5173.6-73.2174.6000111.8A64 V65 T72 L595 L598 V599A64-L68 WeakPolarHBondContact O-CG 3.38Å; A64-L68 PolarHBondContact O-N 3.05Å; V65-L68 PolarHBondContact O-N 3Å; L68-T72 VanDerWaalsContact O-CB 3.31Å; L68-T72 WeakPolarHBondContact O-CB 3.49Å; L68-T72 PolarHBondContact O-N 2.63Å; L68-T72 PolarHBondContact O-OG1 2.91Å; L68-L595 HydrophobicContact CB-CD1 4.03Å; L68-L598 HydrophobicContact CD1-CD2 4.33Å; L68-L598 HydrophobicContact CD2-CD2 4.06Å; L68-V599 HydrophobicContact CD1-CG2 4.4Å
69V95.7Very high92.1Very high0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-62.4-47.7175.3168.10000110.5L18 L21 I56 V65 G66 Q67 T72 V73 L88 L595L18-V69 HydrophobicContact CD1-CG2 3.44Å; L18-V69 VanDerWaalsContact CD1-CG2 3.44Å; L21-V69 HydrophobicContact CD2-CB 3.98Å; L21-V69 HydrophobicContact CD2-CG1 3.71Å; L21-V69 HydrophobicContact CD2-CG2 3.99Å; I56-V69 HydrophobicContact CD1-CG1 3.94Å; V65-V69 HydrophobicContact CG1-CG2 4.47Å; V65-V69 WeakPolarHBondContact O-CB 3.39Å; V65-V69 VanDerWaalsContact O-CG2 3.22Å; V65-V69 WeakPolarHBondContact O-CG2 3.33Å; V65-V69 PolarHBondContact O-N 3.33Å; G66-V69 WeakPolarHBondContact O-CB 3.43Å; G66-V69 PolarHBondContact O-N 3.06Å; Q67-V69 VanDerWaalsContact C-N 3.31Å; Q67-V69 PolarHBondContact O-N 3.27Å; V69-T72 PolarHBondContact O-N 2.86Å; V69-V73 HydrophobicContact CG1-CG2 4.17Å; V69-V73 WeakPolarHBondContact O-CB 3.49Å; V69-V73 VanDerWaalsContact O-CG2 3.26Å; V69-V73 WeakPolarHBondContact O-CG2 3.41Å; V69-V73 PolarHBondContact O-N 2.91Å; V69-L88 HydrophobicContact CG1-CD1 3.79Å; V69-L88 HydrophobicContact CG1-CD2 3.94Å; V69-L88 HydrophobicContact CG2-CD1 4.3Å; V69-L595 HydrophobicContact CG2-CD2 3.91Å
70Y95.3Very high92.3Very high41 Ų4151.8 Ų51.816%0.16127%0.272CS..Hα-helixtrans-58.3-50.7-179.8176.1-120.9000111.4F53 I56 E57 G66 Q67 T72 V73 R74F53-Y70 HydrophobicContact CE2-CE2 4.27Å; I56-Y70 HydrophobicContact CG2-CD2 3.83Å; I56-Y70 HydrophobicContact CG2-CG 4.31Å; E57-Y70 HydrophobicContact CB-CE2 3.99Å; E57-Y70 HydrophobicContact CG-CE2 4.32Å; G66-Y70 WeakPolarHBondContact O-CB 3.49Å; G66-Y70 PolarHBondContact O-N 2.67Å; Q67-Y70 PolarHBondContact O-N 2.91Å; Y70-T72 PolarHBondContact O-N 2.84Å; Y70-V73 PolarHBondContact O-N 3.13Å; Y70-R74 WeakPolarHBondContact O-CB 3.49Å; Y70-R74 PolarHBondContact O-N 2.93Å
71E95.7Very high92.7Very high90 Ų9048.2 Ų48.242%0.42125%0.253SS..Hα-helixtrans-65.7-38.5179.4-74.5-59.9145.700112.6Q67 R74 G75Q67-E71 PolarHBondContact O-N 2.81Å; E71-R74 PolarHBondContact O-N 2.78Å; E71-R74 IonicContact OE1-NH1 3.65Å; E71-R74 PolarHBondContact OE1-NH1 3.19Å; E71-R74 IonicContact OE2-NH1 2.64Å; E71-G75 PolarHBondContact O-N 3.22Å
72T96.5Very high92.9Very high35 Ų3548.6 Ų48.622%0.21525%0.254CS..Hα-helixtrans-62.4-48.3175.1-580000111.5L68 V69 Y70 G75 H76 L87 K591 L595L68-T72 VanDerWaalsContact O-CB 3.31Å; L68-T72 WeakPolarHBondContact O-CB 3.49Å; L68-T72 PolarHBondContact O-N 2.63Å; L68-T72 PolarHBondContact O-OG1 2.91Å; V69-T72 PolarHBondContact O-N 2.86Å; Y70-T72 PolarHBondContact O-N 2.84Å; T72-G75 PolarHBondContact O-N 3.46Å; T72-H76 PolarHBondContact O-N 2.93Å; T72-L87 HydrophobicContact CG2-CD1 4.29Å; T72-L87 HydrophobicContact CG2-CD2 4.18Å; T72-K591 HydrophobicContact CG2-CB 4.26Å; T72-L595 HydrophobicContact CG2-CD2 4.4Å
73V95.6Very high93.3Very high0 Ų042.9 Ų42.90%022%0.223CC..Hα-helixtrans-67.9-40.4179.81750000110.9F53 I56 V69 Y70 H76 H77 L87 L88F53-V73 HydrophobicContact CB-CG1 4.01Å; F53-V73 HydrophobicContact CD2-CG1 4.12Å; I56-V73 HydrophobicContact CD1-CB 4.38Å; I56-V73 HydrophobicContact CD1-CG1 4.3Å; I56-V73 HydrophobicContact CD1-CG2 4.03Å; V69-V73 HydrophobicContact CG1-CG2 4.17Å; V69-V73 WeakPolarHBondContact O-CB 3.49Å; V69-V73 VanDerWaalsContact O-CG2 3.26Å; V69-V73 WeakPolarHBondContact O-CG2 3.41Å; V69-V73 PolarHBondContact O-N 2.91Å; Y70-V73 PolarHBondContact O-N 3.13Å; V73-H76 PolarHBondContact O-N 3.01Å; V73-H77 VanDerWaalsContact O-CB 3.31Å; V73-H77 WeakPolarHBondContact O-CB 3.49Å; V73-H77 PolarHBondContact O-N 2.78Å; V73-L87 HydrophobicContact CG2-CD2 4.25Å; V73-L88 HydrophobicContact CG2-CB 4.47Å
74R95.6Very high93.7Very high81 Ų8141.2 Ų41.231%0.30621%0.212SC..Hα-helixtrans-61.9-46175-177.1-178.2-174.9-154.34.7111.2F53 Y70 E71 H77 K78F53-R74 HydrophobicContact CE2-CB 3.88Å; F53-R74 HydrophobicContact CE2-CG 4Å; Y70-R74 WeakPolarHBondContact O-CB 3.49Å; Y70-R74 PolarHBondContact O-N 2.93Å; E71-R74 PolarHBondContact O-N 2.78Å; E71-R74 IonicContact OE1-NH1 3.65Å; E71-R74 PolarHBondContact OE1-NH1 3.19Å; E71-R74 IonicContact OE2-NH1 2.64Å; R74-H77 PolarHBondContact O-N 3.39Å; R74-K78 HydrophobicContact CG-CD 4.4Å; R74-K78 WeakPolarHBondContact O-CB 3.19Å; R74-K78 VanDerWaalsContact O-CG 3.3Å; R74-K78 WeakPolarHBondContact O-CG 3.32Å; R74-K78 PolarHBondContact O-N 3.38Å
75G95.4Very high93.9Very high31 Ų3139.4 Ų39.432%0.3220%0.198SC..Hα-helixtrans-60.8-43175.600000112.4E71 T72E71-G75 PolarHBondContact O-N 3.22Å; T72-G75 PolarHBondContact O-N 3.46Å
76H95.8Very high94Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-65.7-45.7174.2-172.588.2000112.1T72 V73 K78 Q79 Y80 T82 L87 K591T72-H76 PolarHBondContact O-N 2.93Å; V73-H76 PolarHBondContact O-N 3.01Å; H76-K78 PolarHBondContact O-N 3.44Å; H76-Q79 PolarHBondContact O-N 2.82Å; H76-Y80 AromaticContact CE1-CD2 3.64Å; H76-Y80 AromaticContact ND1-CD2 3.62Å; H76-Y80 WeakPolarHBondContact O-CD2 3.38Å; H76-Y80 PolarHBondContact O-N 3.41Å; H76-T82 PolarHBondContact CD2-O 3.33Å; H76-T82 PolarHBondContact NE2-O 3.47Å; H76-L87 HydrophobicContact CB-CD1 3.7Å; H76-K591 HydrophobicContact CB-CD 4.13Å
77H94.4Very high94.2Very high9 Ų939.3 Ų39.34%0.04220%0.197CC..Hα-helixtrans-63.9-41.1-179.4-176.473.6000112.3F53 V73 R74 Q79 R81F53-H77 HydrophobicContact CB-CB 4.2Å; F53-H77 HydrophobicContact CD1-CB 4.33Å; F53-H77 AromaticContact CD1-CD2 3.34Å; F53-H77 WeakPolarHBondContact CD1-CD2 3.26Å; F53-H77 AromaticContact CD1-CG 3.66Å; F53-H77 AromaticContact CD1-NE2 3.65Å; F53-H77 HydrophobicContact CD2-CB 3.99Å; F53-H77 AromaticContact CE1-CD2 3.5Å; F53-H77 VanDerWaalsContact CE1-CD2 3.5Å; F53-H77 WeakPolarHBondContact CE1-CD2 3.32Å; F53-H77 AromaticContact CE1-NE2 3.91Å; F53-H77 HydrophobicContact CG-CB 3.89Å; F53-H77 AromaticContact CG-CD2 3.82Å; F53-H77 AromaticContact CG-CG 3.66Å; V73-H77 VanDerWaalsContact O-CB 3.31Å; V73-H77 WeakPolarHBondContact O-CB 3.49Å; V73-H77 PolarHBondContact O-N 2.78Å; R74-H77 PolarHBondContact O-N 3.39Å; H77-Q79 PolarHBondContact O-N 3.08Å; H77-R81 WeakPolarHBondContact NE2-CD 3.47Å; H77-R81 PolarHBondContact NE2-NH1 2.93Å; H77-R81 VanDerWaalsContact O-CA 3.28Å; H77-R81 WeakPolarHBondContact O-CA 3.5Å; H77-R81 VanDerWaalsContact O-CD 3.3Å; H77-R81 WeakPolarHBondContact O-CD 3.5Å; H77-R81 PolarHBondContact O-N 2.79Å
78K93.1Very high94.3Very high123 Ų12335.4 Ų35.454%0.53518%0.179SC..Hα-helixtrans-55.5-37.6176.2-80.5176177.2176.40112.9R74 H76R74-K78 HydrophobicContact CG-CD 4.4Å; R74-K78 WeakPolarHBondContact O-CB 3.19Å; R74-K78 VanDerWaalsContact O-CG 3.3Å; R74-K78 WeakPolarHBondContact O-CG 3.32Å; R74-K78 PolarHBondContact O-N 3.38Å; H76-K78 PolarHBondContact O-N 3.44Å
79Q91.7Very high94.4Very high102 Ų10232.6 Ų32.648%0.47716%0.164SC..Hα-helixtrans-89.5-42.4-175.3-173.6175.12.400113H76 H77H76-Q79 PolarHBondContact O-N 2.82Å; H77-Q79 PolarHBondContact O-N 3.08Å
80Y91.9Very high94.5Very high13 Ų1332.6 Ų32.65%0.05116%0.164CC..Hα-helixtrans-112-20.2-169-61.9-77.4000114.5H76 T82 Y452 H456 V584 E587H76-Y80 AromaticContact CE1-CD2 3.64Å; H76-Y80 AromaticContact ND1-CD2 3.62Å; H76-Y80 WeakPolarHBondContact O-CD2 3.38Å; H76-Y80 PolarHBondContact O-N 3.41Å; Y80-T82 WeakPolarHBondContact O-CG2 3.5Å; Y80-T82 PolarHBondContact O-N 3.17Å; Y80-Y452 VanDerWaalsContact O-CB 3.3Å; Y80-Y452 WeakPolarHBondContact O-CB 3.48Å; Y80-H456 AromaticContact CD1-CE1 3.61Å; Y80-H456 AromaticContact CD1-NE2 3.51Å; Y80-H456 AromaticContact CE1-CE1 4Å; Y80-V584 HydrophobicContact CD1-CB 4.33Å; Y80-V584 HydrophobicContact CD1-CG2 3.79Å; Y80-V584 HydrophobicContact CG-CG2 4.46Å; Y80-E587 HydrophobicContact CE1-CG 4.43Å; Y80-E587 HydrophobicContact CE2-CB 3.93Å; Y80-E587 HydrophobicContact CE2-CG 4.32Å; Y80-E587 WeakPolarHBondContact OH-CG 3.3Å
81R92.5Very high94.6Very high75 Ų7530.6 Ų30.628%0.28316%0.156SC..SBendtrans54.1-9.7-173.6-62.1-68.6-171.3161.39.4117.4H77 Y452H77-R81 WeakPolarHBondContact NE2-CD 3.47Å; H77-R81 PolarHBondContact NE2-NH1 2.93Å; H77-R81 VanDerWaalsContact O-CA 3.28Å; H77-R81 WeakPolarHBondContact O-CA 3.5Å; H77-R81 VanDerWaalsContact O-CD 3.3Å; H77-R81 WeakPolarHBondContact O-CD 3.5Å; H77-R81 PolarHBondContact O-N 2.79Å; R81-Y452 HydrophobicContact CB-CD1 4.22Å; R81-Y452 HydrophobicContact CB-CD2 3.71Å; R81-Y452 HydrophobicContact CB-CE2 4.26Å; R81-Y452 HydrophobicContact CB-CG 3.68Å; R81-Y452 HydrophobicContact CG-CD1 4.01Å; R81-Y452 HydrophobicContact CG-CD2 3.42Å; R81-Y452 VanDerWaalsContact CG-CD2 3.42Å; R81-Y452 HydrophobicContact CG-CE1 4.02Å; R81-Y452 HydrophobicContact CG-CE2 3.43Å; R81-Y452 VanDerWaalsContact CG-CE2 3.43Å; R81-Y452 HydrophobicContact CG-CG 3.72Å
82T91.4Very high94.7Very high28 Ų2826.3 Ų26.317%0.17214%0.136CC..SBendtrans-123.2-177.2174.2-177.30000110H76 Y80 S84 R453 V584H76-T82 PolarHBondContact CD2-O 3.33Å; H76-T82 PolarHBondContact NE2-O 3.47Å; Y80-T82 WeakPolarHBondContact O-CG2 3.5Å; Y80-T82 PolarHBondContact O-N 3.17Å; T82-S84 PolarHBondContact O-N 2.99Å; T82-R453 HydrophobicContact CG2-CG 3.95Å; T82-V584 HydrophobicContact CG2-CB 4.49Å; T82-V584 HydrophobicContact CG2-CG1 3.64Å; T82-V584 HydrophobicContact CG2-CG2 4.11Å
83G91.6Very high94.7Very high17 Ų1724.8 Ų24.818%0.17513%0.127CC..  trans77-15172.400000117.2G85 C86 L87G83-G85 VanDerWaalsContact C-N 3.33Å; G83-G85 PolarHBondContact O-N 2.87Å; G83-C86 WeakPolarHBondContact O-CB 3.3Å; G83-C86 PolarHBondContact O-N 3.11Å; G83-L87 PolarHBondContact O-N 2.97Å
84S93.6Very high94.8Very high10 Ų1024.8 Ų24.87%0.0713%0.127CC..Hα-helixtrans-57-38.8-177.154.20000114.6T82 L87 L88T82-S84 PolarHBondContact O-N 2.99Å; S84-L87 PolarHBondContact O-N 3.45Å; S84-L88 PolarHBondContact O-N 2.97Å; S84-L88 VanDerWaalsContact O-N 3.1Å
85G92.8Very high94.9Very high10 Ų1020.9 Ų20.910%0.10311%0.112CC..Hα-helixtrans-66.3-38.7175.900000112.9G83 F89G83-G85 VanDerWaalsContact C-N 3.33Å; G83-G85 PolarHBondContact O-N 2.87Å; G85-F89 WeakPolarHBondContact O-CB 3.28Å; G85-F89 PolarHBondContact O-N 2.94Å
86C94.6Very high95Very high12 Ų1223.2 Ų23.28%0.08111%0.111CC..Hα-helixtrans-65.6-45.8175.3-179.30000110.9G83 L88 F89 L90 Y514 W589G83-C86 WeakPolarHBondContact O-CB 3.3Å; G83-C86 PolarHBondContact O-N 3.11Å; C86-L88 PolarHBondContact O-N 3.37Å; C86-F89 PolarHBondContact O-N 3.45Å; C86-L90 WeakPolarHBondContact O-CB 3.49Å; C86-L90 WeakPolarHBondContact O-CG 3.32Å; C86-L90 PolarHBondContact O-N 3.39Å; C86-Y514 HydrophobicContact CB-CE2 3.97Å; C86-W589 PolarHBondContact SG-NE1 3.42Å
87L96.7Very high95.1Very high0 Ų023.3 Ų23.30%011%0.112CC..Hα-helixtrans-52.1-59.2175.9-176.2166.7000111T72 V73 H76 G83 S84 F89 L90 A91 A588 K591 A592T72-L87 HydrophobicContact CG2-CD1 4.29Å; T72-L87 HydrophobicContact CG2-CD2 4.18Å; V73-L87 HydrophobicContact CG2-CD2 4.25Å; H76-L87 HydrophobicContact CB-CD1 3.7Å; G83-L87 PolarHBondContact O-N 2.97Å; S84-L87 PolarHBondContact O-N 3.45Å; L87-F89 VanDerWaalsContact C-N 3.34Å; L87-F89 PolarHBondContact O-N 3.38Å; L87-L90 PolarHBondContact O-N 3.4Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 2.93Å; L87-A588 HydrophobicContact CB-CB 4.13Å; L87-K591 HydrophobicContact CD1-CB 3.75Å; L87-K591 HydrophobicContact CD1-CD 4.38Å; L87-K591 HydrophobicContact CG-CB 4.32Å; L87-A592 HydrophobicContact CG-CB 4.28Å; L87-A592 VanDerWaalsContact O-CB 3.27Å; L87-A592 WeakPolarHBondContact O-CB 3.25Å
88L96.3Very high95.2Very high0 Ų022.9 Ų22.90%011%0.111CC..Hα-helixtrans-71-31.4-174.8-178.457.5000112.3L18 S22 I25 I56 V69 V73 S84 C86 A91 G92L18-L88 HydrophobicContact CD1-CD1 3.94Å; S22-L88 VanDerWaalsContact CB-O 3.28Å; S22-L88 WeakPolarHBondContact CB-O 3.46Å; S22-L88 PolarHBondContact OG-O 2.92Å; I25-L88 HydrophobicContact CD1-CB 3.65Å; I25-L88 HydrophobicContact CD1-CD2 3.48Å; I25-L88 VanDerWaalsContact CD1-CD2 3.48Å; I25-L88 HydrophobicContact CD1-CG 3.54Å; I25-L88 HydrophobicContact CG1-CD2 3.78Å; I25-L88 HydrophobicContact CG1-CG 4.08Å; I56-L88 HydrophobicContact CD1-CD2 3.45Å; I56-L88 VanDerWaalsContact CD1-CD2 3.45Å; I56-L88 HydrophobicContact CG1-CD2 4.43Å; V69-L88 HydrophobicContact CG1-CD1 3.79Å; V69-L88 HydrophobicContact CG1-CD2 3.94Å; V69-L88 HydrophobicContact CG2-CD1 4.3Å; V73-L88 HydrophobicContact CG2-CB 4.47Å; S84-L88 PolarHBondContact O-N 2.97Å; S84-L88 VanDerWaalsContact O-N 3.1Å; C86-L88 PolarHBondContact O-N 3.37Å; L88-A91 HydrophobicContact CD1-CB 4.5Å; L88-G92 PolarHBondContact O-N 2.77Å; L88-G92 VanDerWaalsContact O-N 3.1Å
89F96.4Very high95.3Very high7 Ų717.5 Ų17.53%0.0319%0.087CC..Hα-helixtrans-60.7-50.6173.8-168.8-76.2000111.3S22 R26 V29 G85 C86 L87 G92 G93 D513 Y514 A517S22-F89 WeakPolarHBondContact OG-CA 3.23Å; S22-F89 PolarHBondContact OG-O 3.5Å; R26-F89 HydrophobicContact CB-CE2 4.28Å; R26-F89 HydrophobicContact CG-CE2 3.95Å; V29-F89 HydrophobicContact CG2-CB 4.16Å; V29-F89 HydrophobicContact CG2-CD2 4.01Å; V29-F89 HydrophobicContact CG2-CG 4.42Å; G85-F89 WeakPolarHBondContact O-CB 3.28Å; G85-F89 PolarHBondContact O-N 2.94Å; C86-F89 PolarHBondContact O-N 3.45Å; L87-F89 VanDerWaalsContact C-N 3.34Å; L87-F89 PolarHBondContact O-N 3.38Å; F89-G92 PolarHBondContact O-N 3.27Å; F89-G93 PolarHBondContact O-N 3.46Å; F89-D513 HydrophobicContact CE1-CB 4.12Å; F89-D513 HydrophobicContact CZ-CB 4.29Å; F89-D513 WeakPolarHBondContact CZ-O 3.31Å; F89-Y514 HydrophobicContact CB-CD2 4.07Å; F89-Y514 AromaticContact CD1-CD2 3.59Å; F89-Y514 HydrophobicContact CD1-CD2 3.59Å; F89-Y514 HydrophobicContact CD1-CG 4.14Å; F89-Y514 HydrophobicContact CE1-CD2 4.22Å; F89-Y514 HydrophobicContact CE1-CG 4.41Å; F89-Y514 VanDerWaalsContact CE1-N 3.31Å; F89-Y514 AromaticContact CG-CD2 3.82Å; F89-Y514 HydrophobicContact CG-CD2 3.82Å; F89-A517 HydrophobicContact CE2-CB 3.53Å; F89-A517 HydrophobicContact CZ-CB 3.62Å
90L97.6Very high95.5Very high0 Ų015.1 Ų15.10%08%0.078CC..Hα-helixtrans-69.8-36-178.9-69175.8000112.2C86 L87 G92 G93 W94 L511 Y514 W589 A592C86-L90 WeakPolarHBondContact O-CB 3.49Å; C86-L90 WeakPolarHBondContact O-CG 3.32Å; C86-L90 PolarHBondContact O-N 3.39Å; L87-L90 PolarHBondContact O-N 3.4Å; L90-G92 PolarHBondContact O-N 3.5Å; L90-G93 PolarHBondContact O-N 3.11Å; L90-G93 VanDerWaalsContact O-N 3.11Å; L90-W94 HydrophobicContact CB-CE3 4.43Å; L90-W94 HydrophobicContact CB-CH2 4.46Å; L90-W94 HydrophobicContact CB-CZ3 4.41Å; L90-W94 HydrophobicContact CD1-CH2 4.35Å; L90-W94 HydrophobicContact CD1-CZ2 4.45Å; L90-W94 WeakPolarHBondContact O-CB 3.43Å; L90-W94 PolarHBondContact O-N 3.19Å; L90-L511 HydrophobicContact CD1-CD2 4.25Å; L90-L511 HydrophobicContact CD2-CD2 3.8Å; L90-L511 HydrophobicContact CD2-CG 4.45Å; L90-Y514 HydrophobicContact CD2-CG 4.44Å; L90-W589 HydrophobicContact CD1-CD2 4.47Å; L90-W589 HydrophobicContact CD1-CG 4Å; L90-A592 HydrophobicContact CB-CB 4.21Å
91A98Very high95.6Very high0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-56.1-42.3171.600000110.9L18 L87 L88 S95 A592 L595 V596L18-A91 HydrophobicContact CD1-CB 4.35Å; L18-A91 HydrophobicContact CD2-CB 4.47Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 2.93Å; L88-A91 HydrophobicContact CD1-CB 4.5Å; A91-S95 VanDerWaalsContact O-CB 3.28Å; A91-S95 WeakPolarHBondContact O-CB 3.48Å; A91-S95 PolarHBondContact O-N 3.36Å; A91-S95 PolarHBondContact O-OG 3.32Å; A91-A592 HydrophobicContact CB-CB 4.08Å; A91-L595 HydrophobicContact CB-CD2 4.27Å; A91-V596 HydrophobicContact CB-CG2 4.23Å; A91-V596 WeakPolarHBondContact O-CG2 3.32Å
92G97.2Very high95.7Very high0 Ų011.9 Ų11.90%07%0.067CC..Hα-helixtrans-68.6-38.6174.900000114.3S19 S22 L88 F89 L90 R96S19-G92 PolarHBondContact OG-O 3.35Å; S22-G92 WeakPolarHBondContact OG-CA 3.45Å; L88-G92 PolarHBondContact O-N 2.77Å; L88-G92 VanDerWaalsContact O-N 3.1Å; F89-G92 PolarHBondContact O-N 3.27Å; L90-G92 PolarHBondContact O-N 3.5Å; G92-R96 PolarHBondContact O-N 2.86Å; G92-R96 PolarHBondContact O-NH1 2.99Å
93G96.8Very high95.8Very high2 Ų217 Ų172%0.0218%0.083CC..Hα-helixtrans-64.2-48.3175.600000112.8F89 L90 S95 R96 A97F89-G93 PolarHBondContact O-N 3.46Å; L90-G93 PolarHBondContact O-N 3.11Å; L90-G93 VanDerWaalsContact O-N 3.11Å; G93-S95 VanDerWaalsContact C-N 3.35Å; G93-R96 WeakPolarHBondContact O-CB 3.24Å; G93-R96 PolarHBondContact O-N 2.86Å; G93-R96 VanDerWaalsContact O-N 3.13Å; G93-A97 PolarHBondContact O-N 3.04Å; G93-A97 VanDerWaalsContact O-N 3.1Å
94W98.3Very high95.8Very high0 Ų023.1 Ų23.10%010%0.101CC..Hα-helixtrans-73.7-25.4178-66.4-21000113.1L90 R96 A97 A98 M115 I119 M507 L511 W589 A592 L593 V596L90-W94 HydrophobicContact CB-CE3 4.43Å; L90-W94 HydrophobicContact CB-CH2 4.46Å; L90-W94 HydrophobicContact CB-CZ3 4.41Å; L90-W94 HydrophobicContact CD1-CH2 4.35Å; L90-W94 HydrophobicContact CD1-CZ2 4.45Å; L90-W94 WeakPolarHBondContact O-CB 3.43Å; L90-W94 PolarHBondContact O-N 3.19Å; W94-R96 VanDerWaalsContact C-N 3.29Å; W94-R96 PolarHBondContact O-N 2.79Å; W94-A97 WeakPolarHBondContact O-CB 3.47Å; W94-A97 PolarHBondContact O-N 2.98Å; W94-A98 WeakPolarHBondContact O-CB 3.48Å; W94-A98 PolarHBondContact O-N 3.15Å; W94-M115 HydrophobicContact CB-CE 3.69Å; W94-M115 HydrophobicContact CG-CE 4.3Å; W94-I119 HydrophobicContact CH2-CD1 3.44Å; W94-I119 VanDerWaalsContact CH2-CD1 3.44Å; W94-I119 HydrophobicContact CZ2-CD1 4.28Å; W94-I119 HydrophobicContact CZ3-CD1 3.96Å; W94-M507 HydrophobicContact CD2-CE 4.24Å; W94-M507 HydrophobicContact CZ2-CE 4.26Å; W94-M507 PolarHBondContact NE1-O 3.08Å; W94-L511 HydrophobicContact CZ2-CD2 4.49Å; W94-W589 HydrophobicContact CH2-CB 4.1Å; W94-W589 HydrophobicContact CH2-CG 4.41Å; W94-W589 WeakPolarHBondContact CZ3-O 3.38Å; W94-A592 HydrophobicContact CE3-CB 4.31Å; W94-A592 HydrophobicContact CZ3-CB 4.03Å; W94-L593 HydrophobicContact CE3-CB 4Å; W94-L593 HydrophobicContact CE3-CD1 4.35Å; W94-L593 HydrophobicContact CZ3-CB 3.85Å; W94-V596 HydrophobicContact CB-CG2 4.25Å
95S97.6Very high95.6Very high0 Ų025.5 Ų25.50%013%0.127CC..Hα-helixtrans-59.9-40165.4-64.20000112L18 A91 G93 A98 L99L18-S95 WeakPolarHBondContact CD2-OG 3.31Å; L18-S95 WeakPolarHBondContact CG-OG 3.37Å; A91-S95 VanDerWaalsContact O-CB 3.28Å; A91-S95 WeakPolarHBondContact O-CB 3.48Å; A91-S95 PolarHBondContact O-N 3.36Å; A91-S95 PolarHBondContact O-OG 3.32Å; G93-S95 VanDerWaalsContact C-N 3.35Å; S95-A98 PolarHBondContact O-N 3.01Å; S95-L99 WeakPolarHBondContact O-CB 3.33Å; S95-L99 VanDerWaalsContact O-CG 3.27Å; S95-L99 WeakPolarHBondContact O-CG 3.25Å; S95-L99 PolarHBondContact O-N 3.28Å
96R96.7Very high95.6Very high79 Ų7925.2 Ų25.230%0.29812%0.123SC..Hα-helixtrans-66.5-41.3174.2-64.2-174.9-68.3-87.95.6111.2S19 G92 G93 W94 A98 L99 D100 D513S19-R96 WeakPolarHBondContact OG-CG 3.28Å; S19-R96 PolarHBondContact OG-NH1 3.47Å; G92-R96 PolarHBondContact O-N 2.86Å; G92-R96 PolarHBondContact O-NH1 2.99Å; G93-R96 WeakPolarHBondContact O-CB 3.24Å; G93-R96 PolarHBondContact O-N 2.86Å; G93-R96 VanDerWaalsContact O-N 3.13Å; W94-R96 VanDerWaalsContact C-N 3.29Å; W94-R96 PolarHBondContact O-N 2.79Å; R96-A98 PolarHBondContact O-N 2.91Å; R96-L99 PolarHBondContact O-N 3.2Å; R96-D100 WeakPolarHBondContact O-CB 3.44Å; R96-D100 PolarHBondContact O-N 3.29Å; R96-D513 IonicContact CZ-OD2 3.25Å; R96-D513 IonicContact NE-OD2 2.87Å; R96-D513 IonicContact NH2-OD2 3.12Å; R96-D513 PolarHBondContact NH2-OD2 3.5Å
97A97.2Very high95.5Very high3 Ų327.2 Ų27.23%0.02514%0.137CC..Hα-helixtrans-58.9-45.6175.400000112.2G93 W94 D100 S101 L506G93-A97 PolarHBondContact O-N 3.04Å; G93-A97 VanDerWaalsContact O-N 3.1Å; W94-A97 WeakPolarHBondContact O-CB 3.47Å; W94-A97 PolarHBondContact O-N 2.98Å; A97-D100 PolarHBondContact O-N 2.95Å; A97-S101 WeakPolarHBondContact O-CB 3.31Å; A97-S101 PolarHBondContact O-N 3.17Å; A97-S101 PolarHBondContact O-OG 3.37Å; A97-L506 HydrophobicContact CB-CB 3.68Å
98A97Very high95.3Very high0 Ų029.9 Ų29.90%015%0.153CC..Hα-helixtrans-64.9-44.717600000112L15 W94 S95 R96 D100 S101 L102 I111 M115 V596 L600L15-A98 HydrophobicContact CD1-CB 3.84Å; W94-A98 WeakPolarHBondContact O-CB 3.48Å; W94-A98 PolarHBondContact O-N 3.15Å; S95-A98 PolarHBondContact O-N 3.01Å; R96-A98 PolarHBondContact O-N 2.91Å; A98-D100 PolarHBondContact O-N 3.09Å; A98-S101 WeakPolarHBondContact O-CB 3.29Å; A98-S101 PolarHBondContact O-N 3.43Å; A98-L102 WeakPolarHBondContact O-CG 3.38Å; A98-L102 PolarHBondContact O-N 2.82Å; A98-I111 HydrophobicContact CB-CG2 4.2Å; A98-M115 HydrophobicContact CB-SD 4.05Å; A98-V596 HydrophobicContact CB-CG1 4.33Å; A98-L600 HydrophobicContact CB-CD1 4.5Å; A98-L600 HydrophobicContact CB-CD2 4.43Å
99L95.3Very high95.2Very high9 Ų936.8 Ų36.85%0.04719%0.185CC..Hα-helixtrans-58.4-45.3175.1-80.3166.6000112.5H12 L15 Q16 S95 R96 S101 L102 R103H12-L99 HydrophobicContact CB-CD2 3.7Å; L15-L99 HydrophobicContact CB-CD1 3.85Å; L15-L99 HydrophobicContact CB-CD2 3.94Å; L15-L99 HydrophobicContact CB-CG 3.65Å; L15-L99 HydrophobicContact CD1-CD2 4.3Å; L15-L99 HydrophobicContact CD1-CG 4.06Å; Q16-L99 HydrophobicContact CG-CD1 3.84Å; Q16-L99 HydrophobicContact CG-CD2 4.1Å; S95-L99 WeakPolarHBondContact O-CB 3.33Å; S95-L99 VanDerWaalsContact O-CG 3.27Å; S95-L99 WeakPolarHBondContact O-CG 3.25Å; S95-L99 PolarHBondContact O-N 3.28Å; R96-L99 PolarHBondContact O-N 3.2Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 3.36Å; L99-L102 PolarHBondContact O-N 3.25Å; L99-R103 VanDerWaalsContact O-CG 3.28Å; L99-R103 WeakPolarHBondContact O-CG 3.31Å; L99-R103 PolarHBondContact O-N 2.91Å
100D95.3Very high95.1Very high52 Ų5240 Ų4028%0.27820%0.2SC..Hα-helixtrans-68.6-31.1179.1-75.3-8.4000111.9R96 A97 A98 R103 R104 L506R96-D100 WeakPolarHBondContact O-CB 3.44Å; R96-D100 PolarHBondContact O-N 3.29Å; A97-D100 PolarHBondContact O-N 2.95Å; A98-D100 PolarHBondContact O-N 3.09Å; D100-R103 IonicContact OD1-CZ 3.94Å; D100-R103 IonicContact OD1-NH1 3.93Å; D100-R103 PolarHBondContact OD1-NH1 3.26Å; D100-R104 VanDerWaalsContact O-CG 3.22Å; D100-R104 WeakPolarHBondContact O-CG 3.34Å; D100-R104 PolarHBondContact O-N 3.48Å; D100-L506 HydrophobicContact CB-CD1 4.14Å; D100-L506 HydrophobicContact CB-CD2 4.31Å
101S94.8Very high95Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-66.7-45.8172.2-58.70000111.7A97 A98 L99 R103 R104 G105 I106 L506A97-S101 WeakPolarHBondContact O-CB 3.31Å; A97-S101 PolarHBondContact O-N 3.17Å; A97-S101 PolarHBondContact O-OG 3.37Å; A98-S101 WeakPolarHBondContact O-CB 3.29Å; A98-S101 PolarHBondContact O-N 3.43Å; L99-S101 VanDerWaalsContact C-N 3.28Å; L99-S101 PolarHBondContact O-N 3.36Å; S101-R103 PolarHBondContact O-N 3.08Å; S101-R104 PolarHBondContact O-N 2.88Å; S101-R104 VanDerWaalsContact O-N 3.15Å; S101-G105 PolarHBondContact O-N 3.04Å; S101-I106 WeakPolarHBondContact O-CB 3.44Å; S101-I106 WeakPolarHBondContact O-CG1 3.45Å; S101-I106 PolarHBondContact O-N 2.83Å; S101-I106 VanDerWaalsContact O-N 3.13Å; S101-L506 WeakPolarHBondContact OG-CD1 3.48Å
102L94.3Very high94.9Very high20 Ų2041.6 Ų41.611%0.10521%0.209CC..Hα-helixtrans-60.3-43.6174.9-71.3172.8000111.9H12 L15 A98 L99 R104 G105 V108 I111 L600H12-L102 HydrophobicContact CB-CD1 3.96Å; L15-L102 HydrophobicContact CD1-CD1 4.31Å; A98-L102 WeakPolarHBondContact O-CG 3.38Å; A98-L102 PolarHBondContact O-N 2.82Å; L99-L102 PolarHBondContact O-N 3.25Å; L102-R104 PolarHBondContact O-N 3.41Å; L102-G105 PolarHBondContact O-N 2.7Å; L102-V108 HydrophobicContact CD2-CG2 3.95Å; L102-I111 HydrophobicContact CD2-CD1 3.63Å; L102-I111 HydrophobicContact CG-CD1 3.75Å; L102-L600 HydrophobicContact CD1-CD1 3.76Å; L102-L600 HydrophobicContact CD2-CD1 4.32Å; L102-L600 HydrophobicContact CG-CD1 4.23Å
103R92.9Very high94.9Very high135 Ų13545.8 Ų45.851%0.50923%0.234SC..Hα-helixtrans-60.4-30.3176.8-74.1168.3179.3167.5-6112.9L99 D100 S101 G105L99-R103 VanDerWaalsContact O-CG 3.28Å; L99-R103 WeakPolarHBondContact O-CG 3.31Å; L99-R103 PolarHBondContact O-N 2.91Å; D100-R103 IonicContact OD1-CZ 3.94Å; D100-R103 IonicContact OD1-NH1 3.93Å; D100-R103 PolarHBondContact OD1-NH1 3.26Å; S101-R103 PolarHBondContact O-N 3.08Å; R103-G105 VanDerWaalsContact C-N 3.26Å
104R92.4Very high94.9Very high147 Ų14745.9 Ų45.956%0.55524%0.235SC*.THydrogen-bonded Turntrans-84.53.8175.6-66.5173.3-167.6-140.46.7113.3D100 S101 L102 I106D100-R104 VanDerWaalsContact O-CG 3.22Å; D100-R104 WeakPolarHBondContact O-CG 3.34Å; D100-R104 PolarHBondContact O-N 3.48Å; S101-R104 PolarHBondContact O-N 2.88Å; S101-R104 VanDerWaalsContact O-N 3.15Å; L102-R104 PolarHBondContact O-N 3.41Å; R104-I106 HydrophobicContact CB-CG1 4.48Å
105G90.4Very high94.9Very high59 Ų5945.9 Ų45.961%0.60824%0.235SC*.THydrogen-bonded Turntrans82.314.117600000114.8S101 L102 R103S101-G105 PolarHBondContact O-N 3.04Å; L102-G105 PolarHBondContact O-N 2.7Å; R103-G105 VanDerWaalsContact C-N 3.26Å
106I92.1Very high94.9Very high4 Ų447.8 Ų47.82%0.02125%0.248CC..  trans-74.5131.1176-49.7-177.4000108.6S101 R104 H110 I111 Y499 L502 V503S101-I106 WeakPolarHBondContact O-CB 3.44Å; S101-I106 WeakPolarHBondContact O-CG1 3.45Å; S101-I106 PolarHBondContact O-N 2.83Å; S101-I106 VanDerWaalsContact O-N 3.13Å; R104-I106 HydrophobicContact CB-CG1 4.48Å; I106-H110 HydrophobicContact CG2-CB 3.75Å; I106-I111 HydrophobicContact CB-CD1 4.31Å; I106-I111 HydrophobicContact CB-CG1 4.04Å; I106-I111 HydrophobicContact CG2-CD1 4.48Å; I106-I111 HydrophobicContact CG2-CG1 3.72Å; I106-Y499 HydrophobicContact CB-CD1 4.49Å; I106-Y499 HydrophobicContact CD1-CD1 3.85Å; I106-Y499 HydrophobicContact CD1-CG 4.37Å; I106-Y499 HydrophobicContact CG1-CD1 3.64Å; I106-Y499 HydrophobicContact CG1-CE1 4.05Å; I106-Y499 HydrophobicContact CG1-CG 4.23Å; I106-Y499 HydrophobicContact CG2-CD1 4.32Å; I106-Y499 HydrophobicContact CG2-CG 4.05Å; I106-L502 HydrophobicContact CD1-CD2 3.96Å; I106-V503 HydrophobicContact CD1-CG2 4.03Å
107S92.1Very high94.9Very high54 Ų5447.3 Ų47.338%0.37825%0.25SC..  trans-69.5150.4179.977.60000111.8Q109 H110 I111S107-Q109 PolarHBondContact O-N 3.44Å; S107-Q109 VanDerWaalsContact O-N 3.17Å; S107-H110 PolarHBondContact O-N 2.79Å; S107-H110 PolarHBondContact OG-ND1 2.83Å; S107-I111 WeakPolarHBondContact O-CG1 3.39Å; S107-I111 PolarHBondContact O-N 2.84Å
108V93.4Very high94.9Very high56 Ų5647.2 Ų47.234%0.33925%0.248SC..Hα-helixtrans-50.5-41.8178.4170.90000111.8L102 I111 I112 L600L102-V108 HydrophobicContact CD2-CG2 3.95Å; V108-I111 PolarHBondContact O-N 3.29Å; V108-I112 HydrophobicContact CG1-CD1 3.56Å; V108-I112 HydrophobicContact CG1-CG1 4.26Å; V108-I112 WeakPolarHBondContact O-CD1 3.47Å; V108-I112 VanDerWaalsContact O-CG1 3.27Å; V108-I112 WeakPolarHBondContact O-CG1 3.25Å; V108-I112 PolarHBondContact O-N 2.85Å; V108-L600 HydrophobicContact CG1-CD2 4.35Å; V108-L600 HydrophobicContact CG1-CG 4.03Å; V108-L600 HydrophobicContact CG2-CD1 4.24Å
109Q93.6Very high95Very high145 Ų14547.7 Ų47.768%0.67825%0.251SS*.Hα-helixtrans-60.8-47.1178.2-172.5-179.83.800112.7S107 I111 I112 T113S107-Q109 PolarHBondContact O-N 3.44Å; S107-Q109 VanDerWaalsContact O-N 3.17Å; Q109-I111 VanDerWaalsContact C-N 3.32Å; Q109-I111 PolarHBondContact O-N 2.68Å; Q109-I112 PolarHBondContact O-N 3.31Å; Q109-T113 PolarHBondContact O-N 3.46Å; Q109-T113 PolarHBondContact O-OG1 3.14Å; Q109-T113 VanDerWaalsContact O-OG1 3.09Å
110H94Very high95.1Very high74 Ų7451.5 Ų51.534%0.34327%0.271SS..Hα-helixtrans-66.4-35.8178.1-70.399.7000111.8I106 S107 A114I106-H110 HydrophobicContact CG2-CB 3.75Å; S107-H110 PolarHBondContact O-N 2.79Å; S107-H110 PolarHBondContact OG-ND1 2.83Å; H110-A114 VanDerWaalsContact O-CB 3.28Å; H110-A114 WeakPolarHBondContact O-CB 3.37Å; H110-A114 PolarHBondContact O-N 3.45Å
111I96Very high95.2Very high0 Ų050.2 Ų50.20%026%0.264CS..Hα-helixtrans-62.9-50.2174.8-62.9169.7000109.9A98 L102 I106 S107 V108 Q109 T113 A114 M115 L600A98-I111 HydrophobicContact CB-CG2 4.2Å; L102-I111 HydrophobicContact CD2-CD1 3.63Å; L102-I111 HydrophobicContact CG-CD1 3.75Å; I106-I111 HydrophobicContact CB-CD1 4.31Å; I106-I111 HydrophobicContact CB-CG1 4.04Å; I106-I111 HydrophobicContact CG2-CD1 4.48Å; I106-I111 HydrophobicContact CG2-CG1 3.72Å; S107-I111 WeakPolarHBondContact O-CG1 3.39Å; S107-I111 PolarHBondContact O-N 2.84Å; V108-I111 PolarHBondContact O-N 3.29Å; Q109-I111 VanDerWaalsContact C-N 3.32Å; Q109-I111 PolarHBondContact O-N 2.68Å; I111-T113 PolarHBondContact O-N 2.89Å; I111-A114 PolarHBondContact O-N 3.33Å; I111-M115 HydrophobicContact CG2-CG 4.08Å; I111-M115 HydrophobicContact CG2-SD 3.46Å; I111-M115 WeakPolarHBondContact CG2-SD 3.48Å; I111-M115 VanDerWaalsContact O-CB 3.31Å; I111-M115 WeakPolarHBondContact O-CB 3.47Å; I111-M115 WeakPolarHBondContact O-CG 3.31Å; I111-M115 PolarHBondContact O-N 3.45Å; I111-L600 HydrophobicContact CB-CD2 4.11Å; I111-L600 HydrophobicContact CG2-CD2 3.57Å
112I96.4Very high95.3Very high35 Ų3550.2 Ų50.218%0.17926%0.264CS..Hα-helixtrans-56.7-53.1178.4-68.6160000110V108 Q109 A114 M115 S116 L597 L600 Q601V108-I112 HydrophobicContact CG1-CD1 3.56Å; V108-I112 HydrophobicContact CG1-CG1 4.26Å; V108-I112 WeakPolarHBondContact O-CD1 3.47Å; V108-I112 VanDerWaalsContact O-CG1 3.27Å; V108-I112 WeakPolarHBondContact O-CG1 3.25Å; V108-I112 PolarHBondContact O-N 2.85Å; Q109-I112 PolarHBondContact O-N 3.31Å; I112-A114 PolarHBondContact O-N 2.84Å; I112-M115 PolarHBondContact O-N 2.91Å; I112-S116 WeakPolarHBondContact O-CB 3.29Å; I112-S116 PolarHBondContact O-N 3.33Å; I112-S116 PolarHBondContact O-OG 2.87Å; I112-S116 VanDerWaalsContact O-OG 3.07Å; I112-L597 HydrophobicContact CB-CD2 4.4Å; I112-L597 HydrophobicContact CG1-CD2 4.03Å; I112-L597 HydrophobicContact CG2-CD1 4.35Å; I112-L600 HydrophobicContact CG1-CD2 4.06Å; I112-Q601 HydrophobicContact CD1-CG 3.76Å
113T96.4Very high95.4Very high87 Ų8749.7 Ų49.753%0.53426%0.261SS..Hα-helixtrans-57.9-49.2-178.6-59.40000112Q109 I111 S116 E117Q109-T113 PolarHBondContact O-N 3.46Å; Q109-T113 PolarHBondContact O-OG1 3.14Å; Q109-T113 VanDerWaalsContact O-OG1 3.09Å; I111-T113 PolarHBondContact O-N 2.89Å; T113-S116 PolarHBondContact O-N 3.34Å; T113-E117 WeakPolarHBondContact O-CB 3.5Å; T113-E117 PolarHBondContact O-N 3.45Å
114A96.6Very high95.5Very high4 Ų447.5 Ų47.53%0.03326%0.26CS..Hα-helixtrans-69.2-34.6-178.500000112.7H110 I111 I112 G118 R500 V503 L504H110-A114 VanDerWaalsContact O-CB 3.28Å; H110-A114 WeakPolarHBondContact O-CB 3.37Å; H110-A114 PolarHBondContact O-N 3.45Å; I111-A114 PolarHBondContact O-N 3.33Å; I112-A114 PolarHBondContact O-N 2.84Å; A114-G118 PolarHBondContact O-N 3.14Å; A114-R500 HydrophobicContact CB-CB 4.49Å; A114-R500 HydrophobicContact CB-CG 4.46Å; A114-V503 HydrophobicContact CB-CB 3.7Å; A114-V503 HydrophobicContact CB-CG1 3.69Å; A114-V503 HydrophobicContact CB-CG2 4.15Å; A114-L504 WeakPolarHBondContact O-CD2 3.34Å
115M98.1Very high95.5Very high0 Ų041 Ų410%024%0.236CC..Hα-helixtrans-72.8-39176.9-67.8-178.577.300112.7W94 A98 I111 I112 G118 I119 V503 M507 L593 V596 L597W94-M115 HydrophobicContact CB-CE 3.69Å; W94-M115 HydrophobicContact CG-CE 4.3Å; A98-M115 HydrophobicContact CB-SD 4.05Å; I111-M115 HydrophobicContact CG2-CG 4.08Å; I111-M115 HydrophobicContact CG2-SD 3.46Å; I111-M115 WeakPolarHBondContact CG2-SD 3.48Å; I111-M115 VanDerWaalsContact O-CB 3.31Å; I111-M115 WeakPolarHBondContact O-CB 3.47Å; I111-M115 WeakPolarHBondContact O-CG 3.31Å; I111-M115 PolarHBondContact O-N 3.45Å; I112-M115 PolarHBondContact O-N 2.91Å; M115-G118 PolarHBondContact O-N 3.44Å; M115-I119 PolarHBondContact O-N 3.12Å; M115-V503 HydrophobicContact CG-CG1 3.45Å; M115-V503 VanDerWaalsContact CG-CG1 3.45Å; M115-M507 WeakPolarHBondContact CA-SD 3.37Å; M115-M507 HydrophobicContact CB-CE 4.38Å; M115-M507 HydrophobicContact CB-SD 3.86Å; M115-M507 HydrophobicContact CE-CG 4.34Å; M115-M507 HydrophobicContact CG-CG 4.21Å; M115-M507 HydrophobicContact CG-SD 3.84Å; M115-L593 HydrophobicContact CB-CD1 3.91Å; M115-L593 HydrophobicContact CE-CD1 3.67Å; M115-L593 WeakPolarHBondContact O-CD2 3.36Å; M115-V596 HydrophobicContact CE-CG1 4.1Å; M115-L597 HydrophobicContact CB-CD2 4.37Å; M115-L597 HydrophobicContact SD-CD2 4.41Å
116S97.9Very high95.6Very high41 Ų4138.3 Ų38.329%0.28721%0.208SC..Hα-helixtrans-60.4-45.2172.2-68.40000111.2I112 T113 G118 I119 D120I112-S116 WeakPolarHBondContact O-CB 3.29Å; I112-S116 PolarHBondContact O-N 3.33Å; I112-S116 PolarHBondContact O-OG 2.87Å; I112-S116 VanDerWaalsContact O-OG 3.07Å; T113-S116 PolarHBondContact O-N 3.34Å; S116-G118 VanDerWaalsContact C-N 3.33Å; S116-G118 PolarHBondContact O-N 2.88Å; S116-I119 WeakPolarHBondContact O-CG2 3.29Å; S116-I119 PolarHBondContact O-N 2.77Å; S116-D120 PolarHBondContact O-N 2.93Å; S116-D120 VanDerWaalsContact O-N 3.14Å
117E96.8Very high95.6Very high69 Ų6943.4 Ų43.432%0.32223%0.23SC..Hα-helixtrans-64.1-39.8174.2-172.8179.6-179.100112.2T113 I119 D120 I121 R500T113-E117 WeakPolarHBondContact O-CB 3.5Å; T113-E117 PolarHBondContact O-N 3.45Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 2.67Å; E117-D120 PolarHBondContact O-N 3.21Å; E117-I121 HydrophobicContact CG-CD1 4.22Å; E117-I121 WeakPolarHBondContact O-CG1 3.34Å; E117-I121 PolarHBondContact O-N 3.45Å; E117-R500 IonicContact OE1-CZ 3.06Å; E117-R500 IonicContact OE1-NE 2.73Å; E117-R500 PolarHBondContact OE1-NE 3.27Å; E117-R500 IonicContact OE1-NH2 3.95Å; E117-R500 PolarHBondContact OE1-NH2 3.1Å; E117-R500 WeakPolarHBondContact OE2-CD 3.35Å; E117-R500 IonicContact OE2-CZ 3.94Å; E117-R500 IonicContact OE2-NE 3.74Å; E117-R500 PolarHBondContact OE2-NE 3.45Å; E117-R500 IonicContact OE2-NH2 3.01Å
118G97.4Very high95.5Very high0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-58.7-40.5175.800000113.1A114 M115 S116 C122A114-G118 PolarHBondContact O-N 3.14Å; M115-G118 PolarHBondContact O-N 3.44Å; S116-G118 VanDerWaalsContact C-N 3.33Å; S116-G118 PolarHBondContact O-N 2.88Å; G118-C122 PolarHBondContact O-N 2.83Å; G118-C122 PolarHBondContact O-SG 3.1Å
119I97.9Very high95.2Very high11 Ų1146.1 Ų46.16%0.05623%0.231CC..Hα-helixtrans-68.8-40.2175.8-162.863.9000111.6W94 M115 S116 E117 I121 C122 L123 W589 L593W94-I119 HydrophobicContact CH2-CD1 3.44Å; W94-I119 VanDerWaalsContact CH2-CD1 3.44Å; W94-I119 HydrophobicContact CZ2-CD1 4.28Å; W94-I119 HydrophobicContact CZ3-CD1 3.96Å; M115-I119 PolarHBondContact O-N 3.12Å; S116-I119 WeakPolarHBondContact O-CG2 3.29Å; S116-I119 PolarHBondContact O-N 2.77Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 2.67Å; I119-I121 VanDerWaalsContact C-N 3.3Å; I119-I121 PolarHBondContact O-N 3.16Å; I119-C122 WeakPolarHBondContact O-CA 3.27Å; I119-C122 WeakPolarHBondContact O-CB 3.48Å; I119-C122 PolarHBondContact O-N 3.24Å; I119-L123 HydrophobicContact CG1-CD1 4.29Å; I119-L123 HydrophobicContact CG1-CG 4.27Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.5Å; I119-L123 PolarHBondContact O-N 3.43Å; I119-W589 HydrophobicContact CD1-CB 3.78Å; I119-L593 HydrophobicContact CB-CD2 3.61Å; I119-L593 HydrophobicContact CG1-CD2 4.27Å; I119-L593 HydrophobicContact CG2-CD2 3.38Å
120D97.9Very high95Very high89 Ų8940.8 Ų40.848%0.47621%0.21SC..Hα-helixtrans-61.2-42.5178.8-70.6-26.4000110.9S116 E117 C122 L123 D124S116-D120 PolarHBondContact O-N 2.93Å; S116-D120 VanDerWaalsContact O-N 3.14Å; E117-D120 PolarHBondContact O-N 3.21Å; D120-C122 VanDerWaalsContact C-N 3.33Å; D120-C122 PolarHBondContact O-N 3.35Å; D120-L123 PolarHBondContact O-N 3.42Å; D120-D124 WeakPolarHBondContact O-CB 3.4Å; D120-D124 PolarHBondContact O-N 3.1Å
121I96.9Very high94.6Very high24 Ų2437.6 Ų37.612%0.12320%0.195CC..Hα-helixtrans-55.4-47.5171.7-68.1163.1000111E117 I119 D124 V125 Q477 L478 Q481 L504E117-I121 HydrophobicContact CG-CD1 4.22Å; E117-I121 WeakPolarHBondContact O-CG1 3.34Å; E117-I121 PolarHBondContact O-N 3.45Å; I119-I121 VanDerWaalsContact C-N 3.3Å; I119-I121 PolarHBondContact O-N 3.16Å; I121-D124 PolarHBondContact O-N 3.33Å; I121-V125 VanDerWaalsContact O-CG2 3.26Å; I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 2.99Å; I121-Q477 HydrophobicContact CG2-CB 4.25Å; I121-Q477 HydrophobicContact CG2-CG 3.52Å; I121-L478 HydrophobicContact CB-CD2 4.3Å; I121-L478 HydrophobicContact CD1-CD2 4.41Å; I121-L478 HydrophobicContact CG2-CD2 4.16Å; I121-Q481 HydrophobicContact CD1-CB 4.34Å; I121-Q481 HydrophobicContact CD1-CG 4.14Å; I121-L504 HydrophobicContact CD1-CD1 4.36Å; I121-L504 HydrophobicContact CD1-CD2 4.37Å
122C97.2Very high94.1Very high0 Ų039.3 Ų39.30%021%0.207CC..Hα-helixtrans-64.5-41.6179.9-64.10000112.1G118 I119 D120 V125 C126 C474 W589G118-C122 PolarHBondContact O-N 2.83Å; G118-C122 PolarHBondContact O-SG 3.1Å; I119-C122 WeakPolarHBondContact O-CA 3.27Å; I119-C122 WeakPolarHBondContact O-CB 3.48Å; I119-C122 PolarHBondContact O-N 3.24Å; D120-C122 VanDerWaalsContact C-N 3.33Å; D120-C122 PolarHBondContact O-N 3.35Å; C122-V125 WeakPolarHBondContact O-CB 3.18Å; C122-V125 PolarHBondContact O-N 3.28Å; C122-C126 PolarHBondContact O-N 3.13Å; C122-C126 PolarHBondContact O-SG 3.43Å; C122-C474 HydrophobicContact CB-CB 4.19Å; C122-W589 HydrophobicContact CB-CE3 4.03Å; C122-W589 HydrophobicContact CB-CZ3 3.86Å
123L96.4Very high93.2Very high9 Ų938.9 Ų38.95%0.04720%0.204CC..Hα-helixtrans-65.9-38.9179.6-66.3175.4000111.9I119 D120 C126 K127 Q586 R590I119-L123 HydrophobicContact CG1-CD1 4.29Å; I119-L123 HydrophobicContact CG1-CG 4.27Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.5Å; I119-L123 PolarHBondContact O-N 3.43Å; D120-L123 PolarHBondContact O-N 3.42Å; L123-C126 WeakPolarHBondContact O-CB 3.39Å; L123-C126 PolarHBondContact O-N 2.58Å; L123-K127 WeakPolarHBondContact O-CG 3.36Å; L123-K127 PolarHBondContact O-N 3.41Å; L123-Q586 HydrophobicContact CD2-CB 3.55Å; L123-Q586 HydrophobicContact CD2-CG 3.54Å; L123-Q586 PolarHBondContact O-NE2 3.09Å; L123-R590 HydrophobicContact CD1-CG 3.85Å; L123-R590 VanDerWaalsContact CD1-NE 3.26Å; L123-R590 HydrophobicContact CD2-CG 4.36Å
124D95.1Very high91.9Very high89 Ų8943 Ų4348%0.47622%0.215SC..Hα-helixtrans-70.2-36176.6-75.2-14.1000112D120 I121 K127 K128D120-D124 WeakPolarHBondContact O-CB 3.4Å; D120-D124 PolarHBondContact O-N 3.1Å; I121-D124 PolarHBondContact O-N 3.33Å; D124-K127 PolarHBondContact O-N 2.98Å; D124-K127 IonicContact OD1-NZ 2.61Å; D124-K127 PolarHBondContact OD1-NZ 3.03Å; D124-K128 VanDerWaalsContact O-CB 3.31Å; D124-K128 WeakPolarHBondContact O-CB 3.37Å; D124-K128 PolarHBondContact O-N 3.25Å
125V92.9Very high90.5Very high10 Ų1047 Ų476%0.06124%0.235CC..Hα-helixtrans-58.5-47.7168.3168.90000110.4I121 C122 K127 K128 F129 L473 Q477I121-V125 VanDerWaalsContact O-CG2 3.26Å; I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 2.99Å; C122-V125 WeakPolarHBondContact O-CB 3.18Å; C122-V125 PolarHBondContact O-N 3.28Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 2.97Å; V125-K128 PolarHBondContact O-N 3.05Å; V125-F129 HydrophobicContact CG1-CD2 3.83Å; V125-F129 HydrophobicContact CG1-CE2 4.25Å; V125-F129 WeakPolarHBondContact O-CD2 3.36Å; V125-F129 PolarHBondContact O-N 3.32Å; V125-L473 HydrophobicContact CG1-CB 3.64Å; V125-Q477 HydrophobicContact CG2-CB 3.67Å; V125-Q477 HydrophobicContact CG2-CG 3.67Å
126C93Very high89Confident3 Ų347.9 Ų47.92%0.0224%0.24CC..Hα-helixtrans-57-44176.5-73.80000112.6C122 L123 S130 L464 L582 Q586 W589C122-C126 PolarHBondContact O-N 3.13Å; C122-C126 PolarHBondContact O-SG 3.43Å; L123-C126 WeakPolarHBondContact O-CB 3.39Å; L123-C126 PolarHBondContact O-N 2.58Å; C126-S130 WeakPolarHBondContact O-CB 3.28Å; C126-S130 PolarHBondContact O-N 3.36Å; C126-L464 HydrophobicContact CB-CD1 4.11Å; C126-L464 HydrophobicContact CB-CD2 3.9Å; C126-L464 WeakPolarHBondContact O-CD2 3.36Å; C126-L582 HydrophobicContact CB-CD1 3.94Å; C126-Q586 HydrophobicContact CB-CG 4.2Å; C126-W589 WeakPolarHBondContact SG-CZ3 3.25Å
127K92.4Very high87Confident112 Ų11247.1 Ų47.149%0.48724%0.236SC..Hα-helixtrans-64.1-47177.5-65.9170.6-165.5155.70111.1L123 D124 V125 F129 S130L123-K127 WeakPolarHBondContact O-CG 3.36Å; L123-K127 PolarHBondContact O-N 3.41Å; D124-K127 PolarHBondContact O-N 2.98Å; D124-K127 IonicContact OD1-NZ 2.61Å; D124-K127 PolarHBondContact OD1-NZ 3.03Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 2.97Å; K127-F129 VanDerWaalsContact C-N 3.35Å; K127-F129 PolarHBondContact O-N 2.53Å; K127-S130 PolarHBondContact O-N 3.06Å; K127-S130 PolarHBondContact O-OG 2.95Å
128K89.8Confident84.9Confident149 Ų14948 Ų4865%0.64825%0.246SC*.Hα-helixtrans-62.8-38.5-176.3-178.7179.6176.2-175.80113D124 V125D124-K128 VanDerWaalsContact O-CB 3.31Å; D124-K128 WeakPolarHBondContact O-CB 3.37Å; D124-K128 PolarHBondContact O-N 3.25Å; V125-K128 PolarHBondContact O-N 3.05Å
129F86.4Confident82.6Confident17 Ų1751.7 Ų51.78%0.07526%0.264CS..THydrogen-bonded Turntrans-10312.7-177-67.5-83.4000113.2V125 K127 L473 I546 T548V125-F129 HydrophobicContact CG1-CD2 3.83Å; V125-F129 HydrophobicContact CG1-CE2 4.25Å; V125-F129 WeakPolarHBondContact O-CD2 3.36Å; V125-F129 PolarHBondContact O-N 3.32Å; K127-F129 VanDerWaalsContact C-N 3.35Å; K127-F129 PolarHBondContact O-N 2.53Å; F129-L473 HydrophobicContact CB-CD1 3.67Å; F129-L473 HydrophobicContact CD1-CD1 4.06Å; F129-L473 HydrophobicContact CD1-CD2 4.27Å; F129-L473 HydrophobicContact CD2-CD1 4.07Å; F129-L473 HydrophobicContact CD2-CD2 4.39Å; F129-L473 HydrophobicContact CE1-CD2 4.14Å; F129-L473 HydrophobicContact CE2-CD2 4.26Å; F129-L473 HydrophobicContact CG-CD1 3.68Å; F129-L473 HydrophobicContact CG-CD2 4.39Å; F129-L473 HydrophobicContact CZ-CD2 4.13Å; F129-I546 HydrophobicContact CE1-CG2 4.2Å; F129-I546 HydrophobicContact CZ-CG2 4.48Å; F129-T548 HydrophobicContact CD1-CG2 4.36Å
130S88.9Confident80.3Confident34 Ų3455.1 Ų55.124%0.23828%0.28CS..  trans-68.5142.7169.168.10000110.5C126 K127 L463C126-S130 WeakPolarHBondContact O-CB 3.28Å; C126-S130 PolarHBondContact O-N 3.36Å; K127-S130 PolarHBondContact O-N 3.06Å; K127-S130 PolarHBondContact O-OG 2.95Å; S130-L463 CarbonylContact C-O 3.47Å; S130-L463 WeakPolarHBondContact CA-O 3.35Å
131V86.1Confident77.6Confident7 Ų758.3 Ų58.34%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-105.4120.4179.6-177.10000107.6D135 L136 A462 L463 L552 Y579V131-D135 HydrophobicContact CG1-CB 4.27Å; V131-L136 HydrophobicContact CG1-CD1 3.95Å; V131-L136 HydrophobicContact CG1-CG 3.87Å; V131-A462 CarbonylContact O-C 3.58Å; V131-A462 VanDerWaalsContact O-CA 3.31Å; V131-A462 WeakPolarHBondContact O-CA 3.41Å; V131-L463 PolarHBondContact N-O 3.32Å; V131-L463 PolarHBondContact O-N 2.86Å; V131-L552 HydrophobicContact CG2-CD1 4.18Å; V131-Y579 HydrophobicContact CB-CE1 4.48Å; V131-Y579 HydrophobicContact CG2-CE1 4.27Å
132S85Confident74.5Confident35 Ų3562.2 Ų62.225%0.24532%0.318CS..EExtended strand (participates in β ladder)trans-75.4153.8176.683.90000110.7K134 D135 L136S132-K134 PolarHBondContact O-N 3.15Å; S132-K134 PolarHBondContact OG-N 3.36Å; S132-D135 WeakPolarHBondContact CB-OD2 3.48Å; S132-D135 PolarHBondContact N-OD2 2.89Å; S132-D135 PolarHBondContact O-N 3.05Å; S132-D135 VanDerWaalsContact O-N 3.07Å; S132-D135 PolarHBondContact OG-N 3.29Å; S132-D135 PolarHBondContact OG-OD2 2.86Å; S132-L136 PolarHBondContact O-N 2.84Å
133F78.8Confident71.5Confident27 Ų2768 Ų6812%0.11835%0.354CS..Hα-helixtrans-60.2-26.4174.8-69.1-16.2000113.9D135 L136 A137 P199 I204 A457 L458 G461 L463F133-D135 VanDerWaalsContact C-N 3.34Å; F133-L136 HydrophobicContact CD1-CD1 3.96Å; F133-A137 PolarHBondContact O-N 3.47Å; F133-P199 HydrophobicContact CB-CG 3.96Å; F133-I204 HydrophobicContact CD1-CD1 3.93Å; F133-I204 HydrophobicContact CD1-CG1 4.49Å; F133-I204 HydrophobicContact CD2-CD1 4.11Å; F133-I204 HydrophobicContact CE1-CD1 3.8Å; F133-I204 HydrophobicContact CE1-CG1 4.23Å; F133-I204 HydrophobicContact CE1-CG2 4.1Å; F133-I204 HydrophobicContact CE2-CD1 4.02Å; F133-I204 HydrophobicContact CG-CD1 4.08Å; F133-I204 HydrophobicContact CZ-CD1 3.86Å; F133-I204 HydrophobicContact CZ-CG2 4.09Å; F133-A457 WeakPolarHBondContact CE2-O 3.43Å; F133-A457 HydrophobicContact CZ-CB 4.09Å; F133-A457 WeakPolarHBondContact CZ-O 3.26Å; F133-L458 HydrophobicContact CE2-CD2 4.09Å; F133-G461 PolarHBondContact N-O 3.42Å; F133-L463 HydrophobicContact CD1-CD1 4.43Å; F133-L463 HydrophobicContact CD1-CG 4.45Å; F133-L463 HydrophobicContact CE1-CD1 3.76Å; F133-L463 HydrophobicContact CE1-CD2 4.34Å; F133-L463 HydrophobicContact CE1-CG 3.7Å
134K68.9Low68.3Low174 Ų17471.2 Ų71.276%0.75738%0.381SS*.Hα-helixtrans-67.9-37.8175.7-65.3-179179.7178.10111.2S132 V138S132-K134 PolarHBondContact O-N 3.15Å; S132-K134 PolarHBondContact OG-N 3.36Å; K134-V138 WeakPolarHBondContact O-CG2 3.4Å; K134-V138 PolarHBondContact O-N 3.36Å
135D66.3Low65.1Low86 Ų8671.2 Ų71.246%0.4639%0.393SS..Hα-helixtrans-74.1-34.3179.9-52.9-40.5000111.5V131 S132 F133 A137 V138 M139V131-D135 HydrophobicContact CG1-CB 4.27Å; S132-D135 WeakPolarHBondContact CB-OD2 3.48Å; S132-D135 PolarHBondContact N-OD2 2.89Å; S132-D135 PolarHBondContact O-N 3.05Å; S132-D135 VanDerWaalsContact O-N 3.07Å; S132-D135 PolarHBondContact OG-N 3.29Å; S132-D135 PolarHBondContact OG-OD2 2.86Å; F133-D135 VanDerWaalsContact C-N 3.34Å; D135-A137 PolarHBondContact O-N 3.3Å; D135-V138 PolarHBondContact O-N 3.48Å; D135-M139 WeakPolarHBondContact O-CG 3.2Å; D135-M139 PolarHBondContact O-N 2.92Å
136L66.4Low62.2Low20 Ų2077.1 Ų77.111%0.10543%0.432CS..Hα-helixtrans-58.9-44.9172.7-87.8142000112.4V131 S132 F133 V138 M139 E140 L463 Y579V131-L136 HydrophobicContact CG1-CD1 3.95Å; V131-L136 HydrophobicContact CG1-CG 3.87Å; S132-L136 PolarHBondContact O-N 2.84Å; F133-L136 HydrophobicContact CD1-CD1 3.96Å; L136-V138 PolarHBondContact O-N 3.04Å; L136-M139 PolarHBondContact O-N 3.47Å; L136-E140 PolarHBondContact O-N 2.93Å; L136-E140 VanDerWaalsContact O-N 3.15Å; L136-L463 HydrophobicContact CD1-CD1 4.11Å; L136-Y579 HydrophobicContact CD2-CE2 3.95Å
137A56.1Low59.2Low24 Ų2480.7 Ų80.720%0.19847%0.47CS..Hα-helixtrans-65.7-25.9178.500000113.3F133 D135 K141 P199F133-A137 PolarHBondContact O-N 3.47Å; D135-A137 PolarHBondContact O-N 3.3Å; A137-K141 WeakPolarHBondContact O-CG 3.44Å; A137-P199 HydrophobicContact CB-CB 4.32Å
138V53.2Low56Low88 Ų8878.8 Ų78.853%0.53348%0.481SS..Hα-helixtrans-78.6-39.7175.2176.70000110.6K134 D135 L136 E140 K141 C142K134-V138 WeakPolarHBondContact O-CG2 3.4Å; K134-V138 PolarHBondContact O-N 3.36Å; D135-V138 PolarHBondContact O-N 3.48Å; L136-V138 PolarHBondContact O-N 3.04Å; V138-E140 PolarHBondContact O-N 2.94Å; V138-K141 PolarHBondContact O-N 3.11Å; V138-C142 PolarHBondContact O-N 2.82Å; V138-C142 PolarHBondContact O-SG 3.01Å
139M49.5Very low53Low77 Ų7778.7 Ų78.738%0.37949%0.494SS..Hα-helixtrans-65.3-35.8178.2-72.5-17866.200113.4D135 L136 C142 T143 L552D135-M139 WeakPolarHBondContact O-CG 3.2Å; D135-M139 PolarHBondContact O-N 2.92Å; L136-M139 PolarHBondContact O-N 3.47Å; M139-C142 PolarHBondContact O-N 3.18Å; M139-T143 PolarHBondContact O-N 3.21Å; M139-T143 PolarHBondContact O-OG1 3.25Å; M139-L552 HydrophobicContact CE-CD1 4.12Å; M139-L552 HydrophobicContact SD-CD1 4.17Å
140E49.7Very low50.1Low84 Ų8487.8 Ų87.839%0.39353%0.533SS..Hα-helixtrans-66.9-37.3174.7-73.2-168.3134.400112.7L136 V138 C142 T143 V203L136-E140 PolarHBondContact O-N 2.93Å; L136-E140 VanDerWaalsContact O-N 3.15Å; V138-E140 PolarHBondContact O-N 2.94Å; E140-C142 VanDerWaalsContact C-N 3.26Å; E140-C142 PolarHBondContact O-N 2.85Å; E140-T143 PolarHBondContact O-N 2.94Å; E140-T143 PolarHBondContact O-OG1 2.99Å; E140-V203 WeakPolarHBondContact OE1-CG1 3.42Å
141K41.5Very low47Very low156 Ų15696.2 Ų96.268%0.67857%0.565SS**Hα-helixtrans-66.5-28.6176.7-71.3176.7-177.3-179.20112.5A137 V138A137-K141 WeakPolarHBondContact O-CG 3.44Å; V138-K141 PolarHBondContact O-N 3.11Å
142C31.2Very low44Very low106 Ų106100.8 Ų100.872%0.71660%0.604SS**Hα-helixtrans-84.3-17.9179.4-67.10000114.2V138 M139 E140V138-C142 PolarHBondContact O-N 2.82Å; V138-C142 PolarHBondContact O-SG 3.01Å; M139-C142 PolarHBondContact O-N 3.18Å; E140-C142 VanDerWaalsContact C-N 3.26Å; E140-C142 PolarHBondContact O-N 2.85Å
143T34Very low41.1Very low122 Ų122104.6 Ų104.675%0.74863%0.631SS**Hα-helixtrans-91.7-14.517948.30000113.5M139 E140 A145M139-T143 PolarHBondContact O-N 3.21Å; M139-T143 PolarHBondContact O-OG1 3.25Å; E140-T143 PolarHBondContact O-N 2.94Å; E140-T143 PolarHBondContact O-OG1 2.99Å; T143-A145 PolarHBondContact O-N 3.41Å
144A30Very low38.5Very low75 Ų75109.4 Ų109.462%0.6266%0.662SS**  trans-86.185.7168.800000111
145A26.4Very low36.3Very low89 Ų89108.6 Ų108.674%0.73667%0.666SS**  trans-69.1145.2170.300000111.4T143 G147T143-A145 PolarHBondContact O-N 3.41Å; A145-G147 PolarHBondContact O-N 2.76Å
146P33Very low34.3Very low134 Ų134108.7 Ų108.787%0.8768%0.679SS**  trans-81.1103-173.830.8-30.8000111.4
147G28.8Very low32.2Very low79 Ų79113.2 Ų113.281%0.81471%0.712SS**PPolyproline II helixtrans-83.9124.6169.100000110.9A145A145-G147 PolarHBondContact O-N 2.76Å
148G25.6Very low30.8Very low71 Ų71119.7 Ų119.773%0.73274%0.742SS**PPolyproline II helixtrans-63.5152.1-163.300000117.2K150G148-K150 PolarHBondContact O-N 2.87Å
149T27.4Very low29.4Very low148 Ų148124.7 Ų124.791%0.90876%0.76SS**PPolyproline II helixtrans-49.1118.2167.222.20000112.5
150K24.5Very low28.1Very low207 Ų207129.7 Ų129.790%0.978%0.784SS**  trans-129.2128.3152.4-76.2-170.3178.71790110.1G148G148-K150 PolarHBondContact O-N 2.87Å
151K23.7Very low26.8Very low211 Ų211130.4 Ų130.492%0.91780%0.804SS**  trans-58.3152.7-177.4-85.6173.7167.8177.30112.9
152A24.4Very low25.9Very low103 Ų103129.8 Ų129.885%0.85181%0.808SS**  trans-53.4149.6174.600000115.2
153S23.8Very low25.5Very low116 Ų116135 Ų13581%0.81182%0.819SS**  trans-148.1125141.961.40000110.1
154T24.3Very low25Very low127 Ų127137.1 Ų137.178%0.77982%0.82SS**  trans-52.5140.1166.2130000112.8
155D23Very low24.7Very low158 Ų158140.2 Ų140.285%0.84583%0.826SS**  174.7159.7115.6-90.4-19.6000113.2
156A23.4Very low24.6Very low88 Ų88145 Ų14573%0.72783%0.831SS**  trans-41.6167.5-177.600000116.5
157S23.8Very low24.1Very low114 Ų114143.8 Ų143.880%0.79782%0.824SS**  cis-174.6164.538.7-20.70000110
158I26.3Very low23.9Very low160 Ų160147.4 Ų147.482%0.82182%0.824SS**  trans-42.2138165.6-62.2156000113.6
159E22.5Very low24Very low194 Ų194149.9 Ų149.991%0.90783%0.83SS**  -169.7142.7129.2-110.4175.5-17400114.5
160M22.1Very low24Very low182 Ų182152.6 Ų152.690%0.89783%0.829SS**  trans-113.5127.1-174.9179.8174.8164.500106.2
161A24Very low24.2Very low98 Ų98148.5 Ų148.581%0.8183%0.827SS**  trans-148.7120172.200000112.8
162N22.1Very low24.7Very low144 Ų144142.4 Ų142.477%0.7782%0.824SS**  trans-48.9152.8163.5-62.8-55.7000112.8
163F22.7Very low24.9Very low214 Ų214145.7 Ų145.794%0.93982%0.821SS**  trans-156.5141.5136.7-117.4-80.8000114.3
164H22.9Very low24.9Very low168 Ų168152.5 Ų152.578%0.77883%0.829SS**  trans-67.4141.5-175.4-95.3-87.7000116.4
165D24.3Very low25Very low139 Ų139155 Ų15574%0.74383%0.829SS**  29.4148.6118.3-145.88.2000123.3
166K24.4Very low25.1Very low190 Ų190154 Ų15483%0.82683%0.829SS**  trans94.3137.4175.7-64.3177.7176173.10115.7
167C21.8Very low25.1Very low108 Ų108158.2 Ų158.273%0.7383%0.831SS**  cis-164.2146.115.8-158.20000111.9
168L26.1Very low25.5Very low155 Ų155160.5 Ų160.581%0.81283%0.833SS**  trans4.7135.4151.2-63.6159000121.8
169S25.9Very low25.7Very low124 Ų124156.4 Ų156.487%0.86782%0.819SS**  -163.2146.9117.863.80000113.3
170K28.4Very low26.2Very low204 Ų204156.2 Ų156.289%0.88781%0.81SS**  trans-82.1138.7-173.7-68.3169.1173.11740111.7
171S29.3Very low26.8Very low122 Ų122154 Ų15485%0.85380%0.797SS**  -155.5127.313068.80000110.2Q173S171-Q173 PolarHBondContact O-N 3.22Å
172G33.8Very low27.4Very low82 Ų82152.4 Ų152.485%0.84577%0.772SS**  trans-82112.1-172.900000111.7
173Q27.3Very low27.7Very low173 Ų173150.9 Ų150.981%0.80877%0.771SS**  trans-116117.4145.9-79.5-178.1-23.700106.9S171 K175S171-Q173 PolarHBondContact O-N 3.22Å; Q173-K175 PolarHBondContact O-N 3.07Å
174R25.6Very low27.9Very low258 Ų258150 Ų15097%0.97477%0.77SS**  trans-65.287.5173.7-71.3179.1-179.6173.9-0.3108.1
175K25.5Very low28.2Very low179 Ų179144.6 Ų144.678%0.77875%0.754SS**  trans-71.6123.5163.9-83.4-179174.8178.20107.7Q173 K177Q173-K175 PolarHBondContact O-N 3.07Å; K175-K177 PolarHBondContact O-N 3.1Å
176V25Very low28.3Very low139 Ų139147.7 Ų147.784%0.84276%0.761SS**  trans-57.5109.7163.9-179.50000106.6L178V176-L178 PolarHBondContact O-N 2.94Å; V176-L178 VanDerWaalsContact O-N 3.12Å
177K23.9Very low28.5Very low175 Ų175143.5 Ų143.576%0.76176%0.756SS**  trans-76.596.7176.2-73.1-177.4179.6177.60107.7K175 S179K175-K177 PolarHBondContact O-N 3.1Å; K177-S179 PolarHBondContact O-N 3.21Å
178L31.8Very low28.7Very low163 Ų163145.3 Ų145.385%0.85376%0.758SS**  trans-54.4132.5152.8-78.9157.3000107.3V176 R180V176-L178 PolarHBondContact O-N 2.94Å; V176-L178 VanDerWaalsContact O-N 3.12Å; L178-R180 PolarHBondContact O-N 2.95Å
179S30Very low28.7Very low73 Ų73146.4 Ų146.451%0.5176%0.761SS.*  trans-63.9108.9-173.559.90000109.9K177 H181K177-S179 PolarHBondContact O-N 3.21Å; S179-H181 PolarHBondContact O-N 2.93Å
180R33.9Very low28.8Very low191 Ų191148 Ų14872%0.72176%0.759SS**THydrogen-bonded Turntrans-60.414.8172.464.7-174.7-166.3-84.1-2.9115.4L178L178-R180 PolarHBondContact O-N 2.95Å
181H34.3Very low28.7Very low135 Ų135144 Ų14463%0.62576%0.757SS**THydrogen-bonded Turntrans-98.51.4-178.8-65.187.3000112.6S179S179-H181 PolarHBondContact O-N 2.93Å
182F36.6Very low28.6Very low65 Ų65143.7 Ų143.729%0.28575%0.75SS.*SBendtrans-111.5-5-176.5-79.4-87.1000115.1L48 K439L48-F182 HydrophobicContact CD2-CE1 4.01Å; L48-F182 HydrophobicContact CD2-CZ 4.25Å; F182-K439 HydrophobicContact CD1-CD 3.89Å; F182-K439 HydrophobicContact CD1-CG 4.48Å; F182-K439 HydrophobicContact CE1-CB 4.4Å; F182-K439 HydrophobicContact CE1-CD 3.46Å; F182-K439 VanDerWaalsContact CE1-CD 3.46Å; F182-K439 HydrophobicContact CE1-CG 3.82Å; F182-K439 HydrophobicContact CZ-CD 4.38Å
183C28.3Very low28.3Very low111 Ų111146.2 Ų146.275%0.7575%0.749SS**SBendtrans-143.9136.9174.9-62.40000113
184E27.3Very low28.3Very low196 Ų196149 Ų14992%0.91675%0.752SS**  trans82.1105.8154.4-131.7167.5-151.900118.3
185A27.9Very low28.5Very low55 Ų55144.7 Ų144.746%0.45574%0.742SS.*  trans-119.7131.8155.500000107.6
186K26.5Very low29Very low203 Ų203141 Ų14188%0.88374%0.737SS**  trans-59.2138.1-178.2-69178.9175.1-177.40110.8
187S30.1Very low29.6Very low103 Ų103141.5 Ų141.572%0.7274%0.735SS**  trans-79.8117.1176.4-177.10000110
188D25.5Very low30.5Very low145 Ų145141 Ų14178%0.77574%0.735SS**  trans-81.9115.9162-80.4-24.8000108.7L190D188-L190 PolarHBondContact O-N 2.87Å
189M26.4Very low31.5Very low178 Ų178135 Ų13588%0.87771%0.706SS**PPolyproline II helixtrans-68119.9173.1-100.9-159.5169.500110
190L26.9Very low33.5Very low157 Ų157135 Ų13582%0.82270%0.7SS**PPolyproline II helixtrans-101.6120.1162-86.3158.2000108.5D188D188-L190 PolarHBondContact O-N 2.87Å
191S26.3Very low35.7Very low120 Ų120127.1 Ų127.184%0.83967%0.672SS**PPolyproline II helixtrans-71122.9179.253.10000111.5
192T27.1Very low38Very low117 Ų117122.9 Ų122.972%0.71865%0.654SS**  trans-121.6147.8166.341.20000112
193V27.3Very low40.1Very low134 Ų134121.9 Ų121.981%0.81265%0.653SS**  trans-64.3136.3-167.6176.40000112.6
194R28.5Very low42.8Very low233 Ų233116.9 Ų116.988%0.87962%0.618SS**  trans-81.3137.3-176.6-63.2177.3-176.8172.5-0112
195H30Very low45.7Very low166 Ų166107.7 Ų107.777%0.76958%0.576SS**  trans-117.4147.1165.9-76.3-70.5000111.5
196P34.6Very low48.4Very low103 Ų103109.2 Ų109.267%0.66957%0.573SS**SBendtrans-93-6.7-152.7-1030.1000118.7
197D38.9Very low51.2Low148 Ų148100 Ų10079%0.79153%0.534SS*.SBendtrans-126.913.7-160.6-70-40.8000117.8
198Q42.9Very low54Low164 Ų16495 Ų9577%0.76650%0.5SS*.SBendtrans-137.4145.4165.9-75.7-175.7-2700109.8D200Q198-D200 PolarHBondContact O-N 3.25Å; Q198-D200 VanDerWaalsContact O-N 3.14Å
199P52.2Low56.9Low38 Ų3889 Ų8925%0.24747%0.469CS..  trans-56124.7170.221-26.9000107.6F133 A137 M201 I204F133-P199 HydrophobicContact CB-CG 3.96Å; A137-P199 HydrophobicContact CB-CB 4.32Å; P199-M201 PolarHBondContact O-N 2.61Å; P199-M201 VanDerWaalsContact O-N 3.15Å; P199-I204 HydrophobicContact CB-CD1 4.2Å; P199-I204 HydrophobicContact CG-CD1 4.34Å
200D71.6Confident59.7Low72 Ų7282.6 Ų82.639%0.38544%0.437SS..  trans-60.7121.5-171.5-169.4-15.1000108.8Q198 I202 V203 I204Q198-D200 PolarHBondContact O-N 3.25Å; Q198-D200 VanDerWaalsContact O-N 3.14Å; D200-I202 PolarHBondContact O-N 2.92Å; D200-I202 WeakPolarHBondContact OD1-CB 3.34Å; D200-I202 VanDerWaalsContact OD1-CG1 3.3Å; D200-I202 WeakPolarHBondContact OD1-CG1 3.26Å; D200-I202 PolarHBondContact OD1-N 3.46Å; D200-V203 HydrophobicContact CB-CB 4.42Å; D200-V203 HydrophobicContact CB-CG2 3.98Å; D200-V203 WeakPolarHBondContact O-CB 3.36Å; D200-V203 PolarHBondContact O-N 2.86Å; D200-I204 PolarHBondContact O-N 2.91Å
201M79.9Confident62.3Low26 Ų2677.1 Ų77.113%0.12842%0.418CS..Hα-helixtrans-52.9-28.7177.8-171.5-173.670.600111P199 A205 V220 A223 Q224 L227 L454 L458P199-M201 PolarHBondContact O-N 2.61Å; P199-M201 VanDerWaalsContact O-N 3.15Å; M201-A205 WeakPolarHBondContact O-CB 3.42Å; M201-A205 PolarHBondContact O-N 3.03Å; M201-V220 HydrophobicContact CE-CB 4.43Å; M201-V220 HydrophobicContact CE-CG1 3.87Å; M201-A223 HydrophobicContact CE-CB 3.9Å; M201-A223 HydrophobicContact SD-CB 3.96Å; M201-Q224 HydrophobicContact CE-CG 3.48Å; M201-Q224 VanDerWaalsContact CE-CG 3.48Å; M201-L227 HydrophobicContact SD-CD1 3.97Å; M201-L454 HydrophobicContact CG-CD1 4.06Å; M201-L454 HydrophobicContact CG-CD2 4.47Å; M201-L454 HydrophobicContact SD-CD2 4.25Å; M201-L458 HydrophobicContact SD-CD1 4.44Å
202I82.4Confident65.2Low47 Ų4772.6 Ų72.624%0.24139%0.386CS..Hα-helixtrans-62.8-49.6175.2-60172000110.8D200 I204 A205 E206 V220D200-I202 PolarHBondContact O-N 2.92Å; D200-I202 WeakPolarHBondContact OD1-CB 3.34Å; D200-I202 VanDerWaalsContact OD1-CG1 3.3Å; D200-I202 WeakPolarHBondContact OD1-CG1 3.26Å; D200-I202 PolarHBondContact OD1-N 3.46Å; I202-I204 VanDerWaalsContact C-N 3.34Å; I202-I204 PolarHBondContact O-N 2.91Å; I202-A205 PolarHBondContact O-N 3.25Å; I202-A205 VanDerWaalsContact O-N 3.17Å; I202-E206 HydrophobicContact CG2-CG 4.43Å; I202-E206 WeakPolarHBondContact O-CG 3.47Å; I202-E206 PolarHBondContact O-N 3.2Å; I202-V220 HydrophobicContact CG1-CG1 4.14Å
203V81.9Confident68.1Low43 Ų4372.8 Ų72.826%0.26138%0.379SS..Hα-helixtrans-60.3-45.5179.21710000110.9E140 D200 A205 E206 S207E140-V203 WeakPolarHBondContact OE1-CG1 3.42Å; D200-V203 HydrophobicContact CB-CB 4.42Å; D200-V203 HydrophobicContact CB-CG2 3.98Å; D200-V203 WeakPolarHBondContact O-CB 3.36Å; D200-V203 PolarHBondContact O-N 2.86Å; V203-A205 VanDerWaalsContact C-N 3.32Å; V203-A205 PolarHBondContact O-N 2.94Å; V203-E206 PolarHBondContact O-N 3.16Å; V203-S207 PolarHBondContact O-N 3.48Å
204I85.1Confident71.1Confident7 Ų771.1 Ų71.14%0.03636%0.361CS..Hα-helixtrans-60.5-45.7177.4-67.2167.5000109.9F133 P199 D200 I202 S207 L208 A457 L463F133-I204 HydrophobicContact CD1-CD1 3.93Å; F133-I204 HydrophobicContact CD1-CG1 4.49Å; F133-I204 HydrophobicContact CD2-CD1 4.11Å; F133-I204 HydrophobicContact CE1-CD1 3.8Å; F133-I204 HydrophobicContact CE1-CG1 4.23Å; F133-I204 HydrophobicContact CE1-CG2 4.1Å; F133-I204 HydrophobicContact CE2-CD1 4.02Å; F133-I204 HydrophobicContact CG-CD1 4.08Å; F133-I204 HydrophobicContact CZ-CD1 3.86Å; F133-I204 HydrophobicContact CZ-CG2 4.09Å; P199-I204 HydrophobicContact CB-CD1 4.2Å; P199-I204 HydrophobicContact CG-CD1 4.34Å; D200-I204 PolarHBondContact O-N 2.91Å; I202-I204 VanDerWaalsContact C-N 3.34Å; I202-I204 PolarHBondContact O-N 2.91Å; I204-S207 PolarHBondContact O-N 3.21Å; I204-S207 PolarHBondContact O-OG 2.98Å; I204-L208 HydrophobicContact CG2-CD1 3.71Å; I204-L208 WeakPolarHBondContact O-CD1 3.26Å; I204-L208 WeakPolarHBondContact O-CG 3.5Å; I204-L208 PolarHBondContact O-N 3.42Å; I204-A457 HydrophobicContact CG2-CB 4.38Å; I204-L463 HydrophobicContact CG2-CD1 4.36Å
205A87.3Confident74.2Confident2 Ų260.6 Ų60.62%0.01732%0.324CS..Hα-helixtrans-64.8-42.6-179.700000113.1M201 I202 V203 S207 L208 S209 M216 V220 L454M201-A205 WeakPolarHBondContact O-CB 3.42Å; M201-A205 PolarHBondContact O-N 3.03Å; I202-A205 PolarHBondContact O-N 3.25Å; I202-A205 VanDerWaalsContact O-N 3.17Å; V203-A205 VanDerWaalsContact C-N 3.32Å; V203-A205 PolarHBondContact O-N 2.94Å; A205-S207 VanDerWaalsContact C-N 3.26Å; A205-S207 PolarHBondContact O-N 2.94Å; A205-L208 CarbonylContact O-C 3.48Å; A205-L208 PolarHBondContact O-N 3.43Å; A205-S209 PolarHBondContact O-N 3.01Å; A205-S209 VanDerWaalsContact O-N 3.13Å; A205-M216 HydrophobicContact CB-CG 3.94Å; A205-M216 HydrophobicContact CB-SD 3.83Å; A205-M216 WeakPolarHBondContact O-CG 3.41Å; A205-V220 HydrophobicContact CB-CG2 3.15Å; A205-L454 HydrophobicContact CB-CD1 4.3Å
206E85.8Confident77.2Confident87 Ų8752.9 Ų52.941%0.40729%0.288SS..Hα-helixtrans-56.4-44.1175.9-75.4178.8173.500111.2I202 V203 L208 S209 L576I202-E206 HydrophobicContact CG2-CG 4.43Å; I202-E206 WeakPolarHBondContact O-CG 3.47Å; I202-E206 PolarHBondContact O-N 3.2Å; V203-E206 PolarHBondContact O-N 3.16Å; E206-L208 PolarHBondContact O-N 3.38Å; E206-S209 VanDerWaalsContact O-CB 3.32Å; E206-S209 WeakPolarHBondContact O-CB 3.39Å; E206-S209 PolarHBondContact O-N 3.37Å; E206-S209 PolarHBondContact O-OG 3.22Å; E206-L576 HydrophobicContact CB-CD2 3.87Å
207S85.6Confident80Confident9 Ų954 Ų546%0.06328%0.283CS..Hα-helixtrans-67-22.1178.885.90000114.3V203 I204 A205 N577 Y579V203-S207 PolarHBondContact O-N 3.48Å; I204-S207 PolarHBondContact O-N 3.21Å; I204-S207 PolarHBondContact O-OG 2.98Å; A205-S207 VanDerWaalsContact C-N 3.26Å; A205-S207 PolarHBondContact O-N 2.94Å; S207-N577 WeakPolarHBondContact CA-O 3.27Å; S207-N577 WeakPolarHBondContact CB-O 3.25Å; S207-Y579 PolarHBondContact O-N 3.4Å
208L88.9Confident82.6Confident0 Ų048 Ų480%025%0.25CS..THydrogen-bonded Turntrans-100.23.6179.8-70.3168.2000112.8I204 A205 E206 H210 M216 R453 A457 L463I204-L208 HydrophobicContact CG2-CD1 3.71Å; I204-L208 WeakPolarHBondContact O-CD1 3.26Å; I204-L208 WeakPolarHBondContact O-CG 3.5Å; I204-L208 PolarHBondContact O-N 3.42Å; A205-L208 CarbonylContact O-C 3.48Å; A205-L208 PolarHBondContact O-N 3.43Å; E206-L208 PolarHBondContact O-N 3.38Å; L208-H210 PolarHBondContact O-N 2.91Å; L208-M216 HydrophobicContact CB-CE 3.93Å; L208-M216 WeakPolarHBondContact O-CE 3.35Å; L208-R453 WeakPolarHBondContact O-CD 2.97Å; L208-R453 PolarHBondContact O-NH1 2.93Å; L208-A457 HydrophobicContact CD1-CB 3.42Å; L208-A457 VanDerWaalsContact CD1-CB 3.42Å; L208-L463 HydrophobicContact CD1-CD2 4.34Å; L208-L463 HydrophobicContact CD2-CD2 3.94Å
209S86.3Confident85.1Confident17 Ų1740.2 Ų40.212%0.11921%0.214CC..  trans-67.4-32.4-172.361.40000114A205 E206 G211 C212 R453A205-S209 PolarHBondContact O-N 3.01Å; A205-S209 VanDerWaalsContact O-N 3.13Å; E206-S209 VanDerWaalsContact O-CB 3.32Å; E206-S209 WeakPolarHBondContact O-CB 3.39Å; E206-S209 PolarHBondContact O-N 3.37Å; E206-S209 PolarHBondContact O-OG 3.22Å; S209-G211 VanDerWaalsContact C-N 3.28Å; S209-G211 PolarHBondContact O-N 3Å; S209-C212 WeakPolarHBondContact O-CB 3.47Å; S209-C212 PolarHBondContact O-N 2.61Å; S209-C212 VanDerWaalsContact O-N 3.08Å; S209-R453 PolarHBondContact O-NH1 3.47Å; S209-R453 PolarHBondContact O-NH2 3.49Å
210H84Confident87Confident45 Ų4539.1 Ų39.121%0.20821%0.206CC..THydrogen-bonded Turntrans42.946.1-174.9-50.8-53.7000114.1P31 L208 R453 Y579 D580P31-H210 VanDerWaalsContact CB-O 3.27Å; P31-H210 WeakPolarHBondContact CB-O 3.48Å; L208-H210 PolarHBondContact O-N 2.91Å; H210-R453 PolarHBondContact CD2-NH1 3.34Å; H210-Y579 PolarHBondContact CE1-O 3.41Å; H210-D580 IonicContact CE1-OD1 2.7Å; H210-D580 PolarHBondContact CE1-OD1 2.9Å; H210-D580 IonicContact NE2-OD1 3.82Å; H210-D580 PolarHBondContact NE2-OD1 3.3Å; H210-D580 VanDerWaalsContact NE2-OD1 3.14Å
211G81.8Confident88Confident41 Ų4139 Ų3942%0.42320%0.203SC..THydrogen-bonded Turntrans79.714.2178.300000114.9S209 E213S209-G211 VanDerWaalsContact C-N 3.28Å; S209-G211 PolarHBondContact O-N 3Å; G211-E213 VanDerWaalsContact C-OE2 3.26Å; G211-E213 VanDerWaalsContact CA-OE1 3.29Å; G211-E213 WeakPolarHBondContact CA-OE1 3.39Å
212C86.4Confident88.5Confident26 Ų2637.7 Ų37.718%0.17620%0.197CC..  trans-118.252176.8-62.10000110.5S209 K214 A215 M216S209-C212 WeakPolarHBondContact O-CB 3.47Å; S209-C212 PolarHBondContact O-N 2.61Å; S209-C212 VanDerWaalsContact O-N 3.08Å; C212-K214 PolarHBondContact O-N 2.86Å; C212-A215 HydrophobicContact CB-CB 4.27Å; C212-A215 PolarHBondContact O-N 2.98Å; C212-M216 WeakPolarHBondContact O-CB 3.19Å; C212-M216 PolarHBondContact O-N 2.78Å
213E88.8Confident88.8Confident121 Ų12135.5 Ų35.557%0.56519%0.186SC*.Hα-helixtrans-60.6-44.4-169.8-62.874.7-164.400112.1G211 A215 M216 K217G211-E213 VanDerWaalsContact C-OE2 3.26Å; G211-E213 VanDerWaalsContact CA-OE1 3.29Å; G211-E213 WeakPolarHBondContact CA-OE1 3.39Å; E213-A215 PolarHBondContact O-N 3.28Å; E213-M216 PolarHBondContact O-N 3.45Å; E213-K217 WeakPolarHBondContact O-CB 3.24Å; E213-K217 PolarHBondContact O-N 2.6Å
214K90.4Very high89.1Confident98 Ų9836.5 Ų36.543%0.42619%0.188SC..Hα-helixtrans-60.2-47177.3-67.5-170177.4-170.40111.8C212 M216 K217 L218 D255C212-K214 PolarHBondContact O-N 2.86Å; K214-M216 VanDerWaalsContact C-N 3.35Å; K214-K217 WeakPolarHBondContact O-CB 3.49Å; K214-K217 PolarHBondContact O-N 2.98Å; K214-L218 WeakPolarHBondContact O-CG 3.47Å; K214-L218 PolarHBondContact O-N 2.87Å; K214-L218 VanDerWaalsContact O-N 3.14Å; K214-D255 IonicContact NZ-OD1 2.71Å; K214-D255 PolarHBondContact NZ-OD1 3.15Å
215A92.8Very high89.2Confident12 Ų1238.2 Ų38.210%0.09920%0.196CC..Hα-helixtrans-67.4-36.7179.400000111.9C212 E213 L218 A219 Q446C212-A215 HydrophobicContact CB-CB 4.27Å; C212-A215 PolarHBondContact O-N 2.98Å; E213-A215 PolarHBondContact O-N 3.28Å; A215-L218 PolarHBondContact O-N 3.14Å; A215-A219 PolarHBondContact O-N 2.98Å; A215-Q446 HydrophobicContact CB-CB 4.44Å
216M93.8Very high89.1Confident5 Ų538.2 Ų38.23%0.02520%0.196CC..Hα-helixtrans-67.9-39.2174.7-174.757.979.800111.9A205 L208 C212 E213 K214 L218 A219 V220 C450A205-M216 HydrophobicContact CB-CG 3.94Å; A205-M216 HydrophobicContact CB-SD 3.83Å; A205-M216 WeakPolarHBondContact O-CG 3.41Å; L208-M216 HydrophobicContact CB-CE 3.93Å; L208-M216 WeakPolarHBondContact O-CE 3.35Å; C212-M216 WeakPolarHBondContact O-CB 3.19Å; C212-M216 PolarHBondContact O-N 2.78Å; E213-M216 PolarHBondContact O-N 3.45Å; K214-M216 VanDerWaalsContact C-N 3.35Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 3.4Å; M216-A219 WeakPolarHBondContact O-CB 3.3Å; M216-A219 PolarHBondContact O-N 3.16Å; M216-A219 VanDerWaalsContact O-N 3.14Å; M216-A219 HydrophobicContact SD-CB 4.37Å; M216-V220 WeakPolarHBondContact O-CG2 3.37Å; M216-V220 PolarHBondContact O-N 3.27Å; M216-C450 HydrophobicContact CB-CB 4.3Å; M216-C450 HydrophobicContact CE-CB 3.83Å; M216-C450 HydrophobicContact SD-CB 4Å
217K93.2Very high88.7Confident127 Ų12735.8 Ų35.855%0.55219%0.185SC*.Hα-helixtrans-57.9-46173.7-175.5-179.9177.6-179.40111.3E213 K214 A219 V220 E221E213-K217 WeakPolarHBondContact O-CB 3.24Å; E213-K217 PolarHBondContact O-N 2.6Å; K214-K217 WeakPolarHBondContact O-CB 3.49Å; K214-K217 PolarHBondContact O-N 2.98Å; K217-A219 VanDerWaalsContact C-N 3.34Å; K217-A219 PolarHBondContact O-N 3.1Å; K217-V220 PolarHBondContact O-N 3.35Å; K217-E221 WeakPolarHBondContact O-CB 3.27Å; K217-E221 PolarHBondContact O-N 3.39Å
218L94.9Very high88.2Confident22 Ų2242 Ų4212%0.11521%0.211CC..Hα-helixtrans-61.4-41.1174.5-66.9170.9000112K214 A215 M216 E221 A222 A257 V259 V430 F447K214-L218 WeakPolarHBondContact O-CG 3.47Å; K214-L218 PolarHBondContact O-N 2.87Å; K214-L218 VanDerWaalsContact O-N 3.14Å; A215-L218 PolarHBondContact O-N 3.14Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 3.4Å; L218-E221 PolarHBondContact O-N 3.32Å; L218-A222 VanDerWaalsContact O-CB 3.29Å; L218-A222 WeakPolarHBondContact O-CB 3.39Å; L218-A222 PolarHBondContact O-N 3.26Å; L218-A257 HydrophobicContact CD1-CB 3.9Å; L218-V259 HydrophobicContact CB-CG2 4.34Å; L218-V259 HydrophobicContact CD2-CG2 3.9Å; L218-V259 WeakPolarHBondContact O-CG2 3.16Å; L218-V430 HydrophobicContact CB-CG1 4.09Å; L218-V430 HydrophobicContact CD1-CG1 4.11Å; L218-V430 HydrophobicContact CD2-CG1 4.5Å; L218-V430 HydrophobicContact CG-CG1 4.47Å; L218-F447 HydrophobicContact CB-CD2 4.11Å; L218-F447 HydrophobicContact CB-CE2 4.13Å
219A94.4Very high87Confident0 Ų043.1 Ų43.10%022%0.218CC..Hα-helixtrans-64.4-41.2177.400000112.5A215 M216 K217 A223 F447 C450 A451A215-A219 PolarHBondContact O-N 2.98Å; M216-A219 WeakPolarHBondContact O-CB 3.3Å; M216-A219 PolarHBondContact O-N 3.16Å; M216-A219 VanDerWaalsContact O-N 3.14Å; M216-A219 HydrophobicContact SD-CB 4.37Å; K217-A219 VanDerWaalsContact C-N 3.34Å; K217-A219 PolarHBondContact O-N 3.1Å; A219-A223 VanDerWaalsContact O-CB 3.3Å; A219-A223 WeakPolarHBondContact O-CB 3.34Å; A219-A223 PolarHBondContact O-N 2.86Å; A219-F447 HydrophobicContact CB-CE2 4.17Å; A219-C450 HydrophobicContact CB-CB 4.06Å; A219-A451 HydrophobicContact CB-CB 4.19Å
220V92.1Very high85.7Confident15 Ų1544 Ų449%0.09122%0.222CC..Hα-helixtrans-63.7-48174.6165.80000110.9M201 I202 A205 M216 K217 A222 A223 Q224 L454M201-V220 HydrophobicContact CE-CB 4.43Å; M201-V220 HydrophobicContact CE-CG1 3.87Å; I202-V220 HydrophobicContact CG1-CG1 4.14Å; A205-V220 HydrophobicContact CB-CG2 3.15Å; M216-V220 WeakPolarHBondContact O-CG2 3.37Å; M216-V220 PolarHBondContact O-N 3.27Å; K217-V220 PolarHBondContact O-N 3.35Å; V220-A222 VanDerWaalsContact C-N 3.33Å; V220-A222 PolarHBondContact O-N 3.28Å; V220-A223 PolarHBondContact O-N 3.1Å; V220-Q224 HydrophobicContact CG1-CG 4.43Å; V220-Q224 WeakPolarHBondContact O-CB 3.34Å; V220-Q224 VanDerWaalsContact O-CG 3.31Å; V220-Q224 WeakPolarHBondContact O-CG 3.44Å; V220-Q224 PolarHBondContact O-N 2.87Å; V220-L454 HydrophobicContact CG2-CD2 4.33Å
221E91.8Very high84.2Confident68 Ų6849.3 Ų49.332%0.31825%0.246SC..Hα-helixtrans-60.4-44.4179.4-171-174.116000111.1K217 L218 Q224 M225 V259K217-E221 WeakPolarHBondContact O-CB 3.27Å; K217-E221 PolarHBondContact O-N 3.39Å; L218-E221 PolarHBondContact O-N 3.32Å; E221-Q224 PolarHBondContact O-N 2.89Å; E221-M225 HydrophobicContact CG-CE 3.83Å; E221-M225 WeakPolarHBondContact O-CG 3.49Å; E221-M225 PolarHBondContact O-N 3.3Å; E221-M225 WeakPolarHBondContact OE1-CE 3.46Å; E221-V259 HydrophobicContact CB-CG2 3.97Å; E221-V259 HydrophobicContact CG-CB 4.15Å; E221-V259 HydrophobicContact CG-CG2 4.05Å
222A91.8Very high82.7Confident0 Ų054.5 Ų54.50%026%0.26CS..Hα-helixtrans-66-39.817600000112.8L218 V220 M225 L226 M244 V259 V428 V430L218-A222 VanDerWaalsContact O-CB 3.29Å; L218-A222 WeakPolarHBondContact O-CB 3.39Å; L218-A222 PolarHBondContact O-N 3.26Å; V220-A222 VanDerWaalsContact C-N 3.33Å; V220-A222 PolarHBondContact O-N 3.28Å; A222-M225 PolarHBondContact O-N 3.44Å; A222-L226 WeakPolarHBondContact O-CG 3.47Å; A222-L226 PolarHBondContact O-N 2.79Å; A222-M244 HydrophobicContact CB-CE 3.41Å; A222-M244 VanDerWaalsContact CB-CE 3.41Å; A222-M244 HydrophobicContact CB-SD 4.1Å; A222-V259 HydrophobicContact CB-CG1 3.71Å; A222-V259 HydrophobicContact CB-CG2 4.18Å; A222-V428 HydrophobicContact CB-CG1 3.85Å; A222-V430 HydrophobicContact CB-CG2 3.79Å
223A89.3Confident80.7Confident0 Ų060.6 Ų60.60%029%0.285CS..Hα-helixtrans-62.4-44.5172.800000112M201 A219 V220 M225 L226 L227 F239 L454M201-A223 HydrophobicContact CE-CB 3.9Å; M201-A223 HydrophobicContact SD-CB 3.96Å; A219-A223 VanDerWaalsContact O-CB 3.3Å; A219-A223 WeakPolarHBondContact O-CB 3.34Å; A219-A223 PolarHBondContact O-N 2.86Å; V220-A223 PolarHBondContact O-N 3.1Å; A223-M225 VanDerWaalsContact C-N 3.34Å; A223-M225 PolarHBondContact O-N 2.91Å; A223-L226 PolarHBondContact O-N 3.26Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 WeakPolarHBondContact O-CG 3.27Å; A223-L227 PolarHBondContact O-N 3.38Å; A223-F239 HydrophobicContact CB-CD2 3.63Å; A223-F239 HydrophobicContact CB-CE2 3.33Å; A223-F239 HydrophobicContact CB-CZ 4.01Å; A223-L454 HydrophobicContact CB-CD2 4.02Å
224Q87.3Confident78.4Confident64 Ų6462.3 Ų62.330%0.29930%0.296SS..Hα-helixtrans-61.2-41.2176.8-72.9175.5-12.300112M201 V220 E221 L227 K228M201-Q224 HydrophobicContact CE-CG 3.48Å; M201-Q224 VanDerWaalsContact CE-CG 3.48Å; V220-Q224 HydrophobicContact CG1-CG 4.43Å; V220-Q224 WeakPolarHBondContact O-CB 3.34Å; V220-Q224 VanDerWaalsContact O-CG 3.31Å; V220-Q224 WeakPolarHBondContact O-CG 3.44Å; V220-Q224 PolarHBondContact O-N 2.87Å; E221-Q224 PolarHBondContact O-N 2.89Å; Q224-L227 PolarHBondContact O-N 3.23Å; Q224-K228 VanDerWaalsContact O-CG 3.29Å; Q224-K228 WeakPolarHBondContact O-CG 3.44Å; Q224-K228 PolarHBondContact O-N 3.13Å
225M86.9Confident76Confident44 Ų4469 Ų6922%0.21732%0.319CS..Hα-helixtrans-61.3-48.1174.7-73.6-167.4-141.600111.6E221 A222 A223 L227 K228 T229 V259 V428E221-M225 HydrophobicContact CG-CE 3.83Å; E221-M225 WeakPolarHBondContact O-CG 3.49Å; E221-M225 PolarHBondContact O-N 3.3Å; E221-M225 WeakPolarHBondContact OE1-CE 3.46Å; A222-M225 PolarHBondContact O-N 3.44Å; A223-M225 VanDerWaalsContact C-N 3.34Å; A223-M225 PolarHBondContact O-N 2.91Å; M225-L227 VanDerWaalsContact C-N 3.3Å; M225-L227 PolarHBondContact O-N 3.06Å; M225-K228 PolarHBondContact O-N 3.4Å; M225-T229 PolarHBondContact O-N 3.25Å; M225-T229 VanDerWaalsContact O-N 3.13Å; M225-T229 PolarHBondContact O-OG1 2.93Å; M225-T229 VanDerWaalsContact O-OG1 3.1Å; M225-V259 HydrophobicContact CE-CB 3.46Å; M225-V259 VanDerWaalsContact CE-CB 3.46Å; M225-V259 HydrophobicContact CE-CG1 3.33Å; M225-V259 HydrophobicContact SD-CG1 3.78Å; M225-V428 HydrophobicContact CB-CG2 3.81Å; M225-V428 HydrophobicContact SD-CG1 4.44Å
226L84.4Confident73.9Confident2 Ų274.7 Ų74.71%0.0135%0.348CS..Hα-helixtrans-59.8-40.2177.8-70.9173000112.5A222 A223 T229 N230 F239 K243 M244 G426 V428A222-L226 WeakPolarHBondContact O-CG 3.47Å; A222-L226 PolarHBondContact O-N 2.79Å; A223-L226 PolarHBondContact O-N 3.26Å; L226-T229 PolarHBondContact O-N 3.44Å; L226-N230 PolarHBondContact O-N 2.89Å; L226-N230 VanDerWaalsContact O-N 3.15Å; L226-N230 PolarHBondContact O-ND2 3.11Å; L226-F239 HydrophobicContact CD1-CD2 4.34Å; L226-F239 HydrophobicContact CD1-CE2 3.97Å; L226-K243 HydrophobicContact CD2-CB 3.99Å; L226-M244 HydrophobicContact CD1-CB 4.48Å; L226-M244 HydrophobicContact CD1-CE 3.78Å; L226-G426 WeakPolarHBondContact CD2-O 3.4Å; L226-V428 HydrophobicContact CD2-CB 4.05Å; L226-V428 HydrophobicContact CD2-CG2 3.58Å; L226-V428 HydrophobicContact CG-CB 4.18Å; L226-V428 HydrophobicContact CG-CG2 3.77Å
227L78.1Confident71.9Confident36 Ų3677.7 Ų77.719%0.18837%0.368CS..Hα-helixtrans-68.5-41.5179.1-67.4169.1000112M201 A223 Q224 M225 T229 N230 Q231 P237M201-L227 HydrophobicContact SD-CD1 3.97Å; A223-L227 WeakPolarHBondContact O-CB 3.49Å; A223-L227 WeakPolarHBondContact O-CG 3.27Å; A223-L227 PolarHBondContact O-N 3.38Å; Q224-L227 PolarHBondContact O-N 3.23Å; M225-L227 VanDerWaalsContact C-N 3.3Å; M225-L227 PolarHBondContact O-N 3.06Å; L227-T229 VanDerWaalsContact C-N 3.29Å; L227-T229 PolarHBondContact O-N 2.69Å; L227-N230 PolarHBondContact O-N 3.29Å; L227-Q231 WeakPolarHBondContact O-CG 3.49Å; L227-Q231 PolarHBondContact O-N 3.06Å; L227-Q231 VanDerWaalsContact O-N 3.15Å; L227-P237 HydrophobicContact CD2-CB 3.64Å; L227-P237 HydrophobicContact CD2-CG 4.2Å; L227-P237 VanDerWaalsContact CD2-O 3.24Å; L227-P237 WeakPolarHBondContact CD2-O 3.42Å
228K75.5Confident70.5Confident140 Ų14077.9 Ų77.961%0.60937%0.374SS*.Hα-helixtrans-59.3-40.8175.2-75.4172-177.5177.30111.6Q224 M225 N230Q224-K228 VanDerWaalsContact O-CG 3.29Å; Q224-K228 WeakPolarHBondContact O-CG 3.44Å; Q224-K228 PolarHBondContact O-N 3.13Å; M225-K228 PolarHBondContact O-N 3.4Å; K228-N230 VanDerWaalsContact C-N 3.35Å
229T64.1Low69.6Low23 Ų2377.4 Ų77.414%0.14137%0.371CS..Hα-helixtrans-65.9-36.3176.7-56.60000112.5M225 L226 L227 S424M225-T229 PolarHBondContact O-N 3.25Å; M225-T229 VanDerWaalsContact O-N 3.13Å; M225-T229 PolarHBondContact O-OG1 2.93Å; M225-T229 VanDerWaalsContact O-OG1 3.1Å; L226-T229 PolarHBondContact O-N 3.44Å; L227-T229 VanDerWaalsContact C-N 3.29Å; L227-T229 PolarHBondContact O-N 2.69Å; T229-S424 VanDerWaalsContact CG2-CB 3.45Å; T229-S424 WeakPolarHBondContact CG2-OG 3.41Å
230N57.8Low69Low36 Ų3680.2 Ų80.219%0.19339%0.386CS..Hα-helixtrans-81.1-15.7-178-71.6-25.2000114.6L226 L227 K228 Q232 H233L226-N230 PolarHBondContact O-N 2.89Å; L226-N230 VanDerWaalsContact O-N 3.15Å; L226-N230 PolarHBondContact O-ND2 3.11Å; L227-N230 PolarHBondContact O-N 3.29Å; K228-N230 VanDerWaalsContact C-N 3.35Å; N230-Q232 PolarHBondContact O-N 3.17Å; N230-H233 PolarHBondContact O-N 3.22Å
231Q53.6Low68.8Low155 Ų15580.3 Ų80.372%0.72439%0.386SS*.THydrogen-bonded Turntrans-60.9-11.6178.8-80.1175.40.300114.2L227L227-Q231 WeakPolarHBondContact O-CG 3.49Å; L227-Q231 PolarHBondContact O-N 3.06Å; L227-Q231 VanDerWaalsContact O-N 3.15Å
232Q49.8Very low68.6Low151 Ų15180 Ų8071%0.70639%0.391SS*.THydrogen-bonded Turntrans-81.5-11.9172.9-65.4-179.5-8.100113.4N230N230-Q232 PolarHBondContact O-N 3.17Å
233H44.3Very low68.4Low154 Ų15482.2 Ų82.271%0.71340%0.401SS*.SBendtrans-141.199.1-177.5-81.4-80.5000113.4N230N230-H233 PolarHBondContact O-N 3.22Å
234I40.6Very low68.5Low156 Ų15682.4 Ų82.480%0.840%0.402SS*.  trans76.9152.8155.9-54.7175.6000118.8D236I234-D236 PolarHBondContact O-N 3.35Å; I234-D236 VanDerWaalsContact O-N 3.13Å
235R40.2Very low68.7Low238 Ų23880.1 Ų80.190%0.89839%0.392SS*.SBendtrans-63.88.9-160.3-74.1-172-168.6-144.61.3120.6
236D47.2Very low69.1Low133 Ų13379.6 Ų79.671%0.71139%0.391SS*.  trans-151.6103.1170.7-89.1-42.9000108.6I234 L238I234-D236 PolarHBondContact O-N 3.35Å; I234-D236 VanDerWaalsContact O-N 3.13Å; D236-L238 PolarHBondContact O-N 3.35Å
237P53.6Low69.6Low68 Ų6880 Ų8044%0.44239%0.394SS..  trans-78.481.3-17735.2-35.8000108.6L227 F239L227-P237 HydrophobicContact CD2-CB 3.64Å; L227-P237 HydrophobicContact CD2-CG 4.2Å; L227-P237 VanDerWaalsContact CD2-O 3.24Å; L227-P237 WeakPolarHBondContact CD2-O 3.42Å; P237-F239 PolarHBondContact O-N 3.42Å
238L63.4Low70.3Confident131 Ų13180.8 Ų80.869%0.68640%0.398SS*.  trans-65.1128.9173.7-79.9143.2000109.2D236 D240D236-L238 PolarHBondContact O-N 3.35Å; L238-D240 VanDerWaalsContact C-N 3.34Å; L238-D240 PolarHBondContact O-N 3.17Å
239F76.4Confident71Confident11 Ų1174.1 Ų74.15%0.04837%0.369CS..  trans-67.490.7174174.8-120.9000110.3A223 L226 P237 I241 M244 H455 L458A223-F239 HydrophobicContact CB-CD2 3.63Å; A223-F239 HydrophobicContact CB-CE2 3.33Å; A223-F239 HydrophobicContact CB-CZ 4.01Å; L226-F239 HydrophobicContact CD1-CD2 4.34Å; L226-F239 HydrophobicContact CD1-CE2 3.97Å; P237-F239 PolarHBondContact O-N 3.42Å; F239-I241 HydrophobicContact CE1-CB 4.33Å; F239-I241 HydrophobicContact CE1-CD1 4.33Å; F239-I241 HydrophobicContact CE1-CG1 4.49Å; F239-I241 PolarHBondContact O-N 2.85Å; F239-I241 VanDerWaalsContact O-N 3.11Å; F239-M244 HydrophobicContact CE2-CE 3.5Å; F239-M244 HydrophobicContact CZ-CE 3.53Å; F239-M244 HydrophobicContact CZ-SD 4.49Å; F239-H455 HydrophobicContact CD1-CB 3.73Å; F239-H455 AromaticContact CD1-ND1 3.86Å; F239-H455 HydrophobicContact CE1-CB 3.71Å; F239-H455 PolarHBondContact O-ND1 3.44Å; F239-L458 HydrophobicContact CB-CD1 3.88Å; F239-L458 HydrophobicContact CD1-CD1 4.35Å; F239-L458 HydrophobicContact CG-CD1 4.27Å
240D81.5Confident72.1Confident60 Ų6073.9 Ų73.932%0.32137%0.368SS..  trans-78.990.1178.2-1743.5000111L238 S242 K243L238-D240 VanDerWaalsContact C-N 3.34Å; L238-D240 PolarHBondContact O-N 3.17Å; D240-S242 VanDerWaalsContact CG-OG 3.26Å; D240-S242 PolarHBondContact O-N 2.95Å; D240-S242 VanDerWaalsContact O-N 3.14Å; D240-S242 VanDerWaalsContact OD1-CB 3.25Å; D240-S242 WeakPolarHBondContact OD1-CB 3.36Å; D240-S242 PolarHBondContact OD1-N 2.69Å; D240-S242 PolarHBondContact OD1-OG 2.93Å; D240-S242 PolarHBondContact OD2-OG 3.29Å; D240-K243 PolarHBondContact O-N 3.15Å; D240-K243 VanDerWaalsContact OD2-CE 3.28Å; D240-K243 WeakPolarHBondContact OD2-CE 3.43Å
241I87.9Confident73.3Confident16 Ų1673.1 Ų73.18%0.08237%0.369CS..G310 helixtrans-61.4-18.5178.3-164.6160.4000113.2F239 K243 M244 W448 A451 Y452 H455F239-I241 HydrophobicContact CE1-CB 4.33Å; F239-I241 HydrophobicContact CE1-CD1 4.33Å; F239-I241 HydrophobicContact CE1-CG1 4.49Å; F239-I241 PolarHBondContact O-N 2.85Å; F239-I241 VanDerWaalsContact O-N 3.11Å; I241-K243 PolarHBondContact O-N 3.46Å; I241-M244 WeakPolarHBondContact O-CB 3.35Å; I241-M244 PolarHBondContact O-N 3.32Å; I241-M244 VanDerWaalsContact O-N 3.16Å; I241-W448 HydrophobicContact CD1-CZ3 4.27Å; I241-W448 HydrophobicContact CG1-CZ3 3.97Å; I241-A451 HydrophobicContact CD1-CB 4.1Å; I241-Y452 HydrophobicContact CD1-CD1 4.18Å; I241-Y452 HydrophobicContact CD1-CD2 3.32Å; I241-Y452 HydrophobicContact CD1-CE1 4.26Å; I241-Y452 HydrophobicContact CD1-CE2 3.4Å; I241-Y452 VanDerWaalsContact CD1-CE2 3.4Å; I241-Y452 HydrophobicContact CD1-CG 3.75Å; I241-Y452 HydrophobicContact CG1-CD2 4.47Å; I241-Y452 HydrophobicContact CG1-CE2 4.14Å; I241-H455 HydrophobicContact CD1-CB 3.99Å
242S86.3Confident75Confident61 Ų6166 Ų6643%0.42734%0.336SS..G310 helixtrans-69.3-18.4-178.776.50000113.8D240 S369D240-S242 VanDerWaalsContact CG-OG 3.26Å; D240-S242 PolarHBondContact O-N 2.95Å; D240-S242 VanDerWaalsContact O-N 3.14Å; D240-S242 VanDerWaalsContact OD1-CB 3.25Å; D240-S242 WeakPolarHBondContact OD1-CB 3.36Å; D240-S242 PolarHBondContact OD1-N 2.69Å; D240-S242 PolarHBondContact OD1-OG 2.93Å; D240-S242 PolarHBondContact OD2-OG 3.29Å; S242-S369 WeakPolarHBondContact O-CB 3.43Å; S242-S369 PolarHBondContact O-OG 3.42Å
243K87.8Confident76.9Confident47 Ų4761.4 Ų61.420%0.20432%0.319CS..G310 helixtrans-91.9-1.6176.8-56.7-174-176.3-179.50113.7L226 D240 I241 G426 L427 V428L226-K243 HydrophobicContact CD2-CB 3.99Å; D240-K243 PolarHBondContact O-N 3.15Å; D240-K243 VanDerWaalsContact OD2-CE 3.28Å; D240-K243 WeakPolarHBondContact OD2-CE 3.43Å; I241-K243 PolarHBondContact O-N 3.46Å; K243-G426 WeakPolarHBondContact CB-O 3.32Å; K243-G426 WeakPolarHBondContact CD-O 3.34Å; K243-L427 HydrophobicContact CB-CD2 4.17Å; K243-L427 WeakPolarHBondContact O-CA 3.29Å; K243-V428 PolarHBondContact O-N 3.27Å; K243-V428 VanDerWaalsContact O-N 3.1Å
244M91.1Very high79.1Confident4 Ų457 Ų572%0.0230%0.299CS..EExtended strand (participates in β ladder)trans-88.9138.8175.1-166.9170.7-69.300109.9A222 L226 F239 I241 V428 F447 W448 A451A222-M244 HydrophobicContact CB-CE 3.41Å; A222-M244 VanDerWaalsContact CB-CE 3.41Å; A222-M244 HydrophobicContact CB-SD 4.1Å; L226-M244 HydrophobicContact CD1-CB 4.48Å; L226-M244 HydrophobicContact CD1-CE 3.78Å; F239-M244 HydrophobicContact CE2-CE 3.5Å; F239-M244 HydrophobicContact CZ-CE 3.53Å; F239-M244 HydrophobicContact CZ-SD 4.49Å; I241-M244 WeakPolarHBondContact O-CB 3.35Å; I241-M244 PolarHBondContact O-N 3.32Å; I241-M244 VanDerWaalsContact O-N 3.16Å; M244-V428 CarbonylContact C-O 3.58Å; M244-V428 WeakPolarHBondContact CA-O 3.11Å; M244-F447 HydrophobicContact CG-CE1 4.47Å; M244-F447 HydrophobicContact CG-CZ 4.14Å; M244-F447 HydrophobicContact SD-CE1 4.1Å; M244-F447 HydrophobicContact SD-CE2 4.43Å; M244-F447 HydrophobicContact SD-CZ 3.47Å; M244-F447 WeakPolarHBondContact SD-CZ 3.36Å; M244-W448 HydrophobicContact CB-CH2 4.22Å; M244-W448 HydrophobicContact CB-CZ3 4.44Å; M244-W448 HydrophobicContact CG-CH2 4.33Å; M244-W448 WeakPolarHBondContact O-CH2 3.28Å; M244-A451 HydrophobicContact SD-CB 4.05Å
245L92.8Very high81.4Confident16 Ų1655 Ų558%0.08429%0.29CS..EExtended strand (participates in β ladder)trans-129.8158.7-178.8-54.8170.9000110.1C263 V370 V428 T429 V430L245-C263 HydrophobicContact CD1-CB 4.01Å; L245-V370 HydrophobicContact CD1-CG2 3.46Å; L245-V370 VanDerWaalsContact CD1-CG2 3.46Å; L245-V370 HydrophobicContact CD2-CG2 3.44Å; L245-V370 VanDerWaalsContact CD2-CG2 3.44Å; L245-V370 HydrophobicContact CG-CG2 4.06Å; L245-V428 PolarHBondContact N-O 2.88Å; L245-T429 HydrophobicContact CB-CG2 4.19Å; L245-T429 WeakPolarHBondContact O-CA 3.19Å; L245-V430 PolarHBondContact O-N 3.35Å
246T94.9Very high83.8Confident34 Ų3449.8 Ų49.821%0.20927%0.271CS..EExtended strand (participates in β ladder)trans-118.3139.7170.542.40000110.2V430 E444 F447 W448T246-V430 WeakPolarHBondContact CA-O 3.4Å; T246-E444 WeakPolarHBondContact CB-OE1 3.22Å; T246-E444 HydrophobicContact CG2-CG 4.17Å; T246-E444 PolarHBondContact OG1-OE1 2.78Å; T246-F447 HydrophobicContact CG2-CD1 3.43Å; T246-F447 VanDerWaalsContact CG2-CD1 3.43Å; T246-F447 HydrophobicContact CG2-CE1 3.47Å; T246-F447 VanDerWaalsContact CG2-CE1 3.47Å; T246-W448 HydrophobicContact CG2-CZ2 3.87Å; T246-W448 PolarHBondContact OG1-NE1 3.36Å
247C93.8Very high86Confident9 Ų944.7 Ų44.76%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-126120.8169.6-179.20000108.6I264 T429 V430 V431 V432C247-I264 HydrophobicContact CB-CB 4.15Å; C247-I264 HydrophobicContact CB-CG2 4.19Å; C247-T429 HydrophobicContact CB-CG2 3.77Å; C247-V430 PolarHBondContact N-O 3.28Å; C247-V431 CarbonylContact O-C 3.49Å; C247-V431 WeakPolarHBondContact O-CA 3.34Å; C247-V432 PolarHBondContact O-N 3.22Å
248L93.1Very high88Confident53 Ų5343.1 Ų43.128%0.27724%0.238SC..EExtended strand (participates in β ladder)trans-94.7119.4-176.4-52.9-175.9000109.7L266 V432 L440 E444L248-L266 VanDerWaalsContact O-CD1 3.31Å; L248-L266 WeakPolarHBondContact O-CD1 3.32Å; L248-V432 WeakPolarHBondContact CA-O 3.42Å; L248-V432 HydrophobicContact CD2-CB 3.88Å; L248-V432 HydrophobicContact CD2-CG1 4.36Å; L248-V432 HydrophobicContact CD2-CG2 4.45Å; L248-L440 HydrophobicContact CB-CD1 4.46Å; L248-L440 HydrophobicContact CD1-CB 4.4Å; L248-E444 HydrophobicContact CD2-CB 3.76Å; L248-E444 HydrophobicContact CD2-CG 3.85Å
249V90.6Very high89.5Confident0 Ų037.5 Ų37.50%021%0.209CC..EExtended strand (participates in β ladder)trans-116.9118.5-179.9-179.70000109.9L252 L266 L406 V431 V432 T433 S434V249-L252 HydrophobicContact CG1-CD1 3.78Å; V249-L252 HydrophobicContact CG1-CG 4.29Å; V249-L266 HydrophobicContact CG2-CD2 4.35Å; V249-L406 HydrophobicContact CG1-CD1 3.63Å; V249-L406 HydrophobicContact CG1-CD2 3.7Å; V249-L406 HydrophobicContact CG1-CG 4.32Å; V249-L406 HydrophobicContact CG2-CD1 4.41Å; V249-V431 HydrophobicContact CB-CG1 4.42Å; V249-V431 HydrophobicContact CG2-CG1 3.65Å; V249-V432 PolarHBondContact N-O 3.42Å; V249-T433 HydrophobicContact CB-CG2 4.17Å; V249-T433 WeakPolarHBondContact O-CA 3.33Å; V249-S434 PolarHBondContact O-N 3.19Å
250S87.8Confident90.3Very high18 Ų1838.2 Ų38.213%0.12621%0.214CC..EExtended strand (participates in β ladder)trans-85.5157.1177.4-167.30000111.5L252 E410S250-L252 VanDerWaalsContact C-N 3.3Å; S250-L252 PolarHBondContact O-N 3.22Å; S250-E410 VanDerWaalsContact CB-OE1 3.28Å; S250-E410 WeakPolarHBondContact CB-OE1 3.42Å
251G83.8Confident90.7Very high21 Ų2139.7 Ų39.722%0.21622%0.219CC..SBendtrans84.6-4.3172.800000115.3S434G251-S434 PolarHBondContact N-O 3.42Å
252L87.8Confident90.8Very high5 Ų539 Ų393%0.02622%0.215CC..SBendtrans-107.3142.8175.3-66.7178.7000111.8V249 S250 R404 L406 Y409 T433 S434 C435V249-L252 HydrophobicContact CG1-CD1 3.78Å; V249-L252 HydrophobicContact CG1-CG 4.29Å; S250-L252 VanDerWaalsContact C-N 3.3Å; S250-L252 PolarHBondContact O-N 3.22Å; L252-R404 VanDerWaalsContact CD1-NH1 3.27Å; L252-L406 HydrophobicContact CD1-CD2 4.05Å; L252-Y409 HydrophobicContact CD2-CD1 4.35Å; L252-Y409 HydrophobicContact CD2-CD2 4.15Å; L252-Y409 HydrophobicContact CD2-CE1 4.22Å; L252-Y409 HydrophobicContact CD2-CE2 4.02Å; L252-Y409 HydrophobicContact CD2-CG 4.32Å; L252-T433 HydrophobicContact CB-CG2 4.23Å; L252-T433 HydrophobicContact CD1-CG2 4.38Å; L252-S434 CarbonylContact O-C 3.6Å; L252-S434 WeakPolarHBondContact O-CA 3.36Å; L252-S434 PolarHBondContact O-N 2.92Å; L252-C435 PolarHBondContact O-N 3Å
253P89.8Confident91Very high54 Ų5436.2 Ų36.235%0.35120%0.196SC..  trans-60.5147.6174.7-21.431.3000112.5D255 Y256 T433 C435P253-D255 PolarHBondContact O-N 3.15Å; P253-Y256 HydrophobicContact CB-CD2 4.01Å; P253-Y256 HydrophobicContact CB-CE2 4.29Å; P253-Y256 HydrophobicContact CG-CD2 4.05Å; P253-Y256 HydrophobicContact CG-CE2 3.95Å; P253-Y256 WeakPolarHBondContact O-CB 3.49Å; P253-Y256 WeakPolarHBondContact O-CD2 3.2Å; P253-Y256 PolarHBondContact O-N 3.02Å; P253-T433 PolarHBondContact O-OG1 3.07Å; P253-C435 VanDerWaalsContact CA-SG 3.57Å
254E90.9Very high91.3Very high62 Ų6234.1 Ų34.129%0.2919%0.187SC..G310 helixtrans-56-23.8-178.9-72.9163.4-135.700114.3Y256 A257 T433 K439 L443E254-Y256 PolarHBondContact O-N 3.17Å; E254-A257 VanDerWaalsContact O-CB 3.26Å; E254-A257 WeakPolarHBondContact O-CB 2.94Å; E254-A257 PolarHBondContact O-N 2.98Å; E254-A257 VanDerWaalsContact O-N 3.1Å; E254-T433 WeakPolarHBondContact CA-O 3.3Å; E254-T433 WeakPolarHBondContact CA-OG1 3.36Å; E254-T433 VanDerWaalsContact CG-O 3.27Å; E254-T433 WeakPolarHBondContact CG-O 3.37Å; E254-K439 VanDerWaalsContact OE1-CD 3.27Å; E254-K439 WeakPolarHBondContact OE1-CD 3.41Å; E254-K439 WeakPolarHBondContact OE1-CE 3.44Å; E254-K439 IonicContact OE1-NZ 3.69Å; E254-K439 PolarHBondContact OE1-NZ 3.34Å; E254-K439 IonicContact OE2-NZ 2.63Å; E254-K439 PolarHBondContact OE2-NZ 2.85Å; E254-L443 HydrophobicContact CG-CD1 3.81Å
255D89.6Confident91.3Very high114 Ų11435.7 Ų35.761%0.6120%0.195SC*.G310 helixtrans-71-10.7178.1-60.6-32.6000113.1K214 P253 A257K214-D255 IonicContact NZ-OD1 2.71Å; K214-D255 PolarHBondContact NZ-OD1 3.15Å; P253-D255 PolarHBondContact O-N 3.15Å; D255-A257 VanDerWaalsContact C-N 3.32Å
256Y90Very high91.3Very high128 Ų12837.6 Ų37.650%0.50221%0.205SC..G310 helixtrans-87-0.3171.3-72.4-95.8000113.2P253 E254 C258P253-Y256 HydrophobicContact CB-CD2 4.01Å; P253-Y256 HydrophobicContact CB-CE2 4.29Å; P253-Y256 HydrophobicContact CG-CD2 4.05Å; P253-Y256 HydrophobicContact CG-CE2 3.95Å; P253-Y256 WeakPolarHBondContact O-CB 3.49Å; P253-Y256 WeakPolarHBondContact O-CD2 3.2Å; P253-Y256 PolarHBondContact O-N 3.02Å; E254-Y256 PolarHBondContact O-N 3.17Å; Y256-C258 PolarHBondContact O-N 3.41Å
257A94.3Very high91Very high27 Ų2736.1 Ų36.122%0.22320%0.196CC..  trans-62.5132.4173.100000110L218 E254 D255 V431 T433L218-A257 HydrophobicContact CD1-CB 3.9Å; E254-A257 VanDerWaalsContact O-CB 3.26Å; E254-A257 WeakPolarHBondContact O-CB 2.94Å; E254-A257 PolarHBondContact O-N 2.98Å; E254-A257 VanDerWaalsContact O-N 3.1Å; D255-A257 VanDerWaalsContact C-N 3.32Å; A257-V431 WeakPolarHBondContact CA-O 3.31Å; A257-V431 WeakPolarHBondContact CB-O 3.46Å; A257-T433 PolarHBondContact N-OG1 3.33Å; A257-T433 VanDerWaalsContact N-OG1 3.12Å
258C94.9Very high90.8Very high35 Ų3537.3 Ų37.324%0.23620%0.204CC..EExtended strand (participates in β ladder)trans-152.7169-173.666.80000111.3Y256 V431Y256-C258 PolarHBondContact O-N 3.41Å; C258-V431 PolarHBondContact N-O 3.04Å; C258-V431 VanDerWaalsContact N-O 3.13Å; C258-V431 PolarHBondContact O-N 3.18Å
259V94.8Very high90.4Very high13 Ų1338.6 Ų38.68%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-109.6135.7175.6-174.60000109.3L218 E221 A222 M225 V428 V430L218-V259 HydrophobicContact CB-CG2 4.34Å; L218-V259 HydrophobicContact CD2-CG2 3.9Å; L218-V259 WeakPolarHBondContact O-CG2 3.16Å; E221-V259 HydrophobicContact CB-CG2 3.97Å; E221-V259 HydrophobicContact CG-CB 4.15Å; E221-V259 HydrophobicContact CG-CG2 4.05Å; A222-V259 HydrophobicContact CB-CG1 3.71Å; A222-V259 HydrophobicContact CB-CG2 4.18Å; M225-V259 HydrophobicContact CE-CB 3.46Å; M225-V259 VanDerWaalsContact CE-CB 3.46Å; M225-V259 HydrophobicContact CE-CG1 3.33Å; M225-V259 HydrophobicContact SD-CG1 3.78Å; V259-V428 HydrophobicContact CG1-CG1 3.22Å; V259-V430 HydrophobicContact CG1-CG2 4.28Å; V259-V430 HydrophobicContact CG2-CG1 4.47Å; V259-V430 HydrophobicContact CG2-CG2 3.98Å
260V92.4Very high90.2Very high25 Ų2542.6 Ų42.615%0.15223%0.231CC..EExtended strand (participates in β ladder)trans-131.7136.8-177.3-172.10000109.6I264 W403 T429 V431V260-I264 HydrophobicContact CB-CD1 4.3Å; V260-I264 HydrophobicContact CB-CG1 4.16Å; V260-I264 HydrophobicContact CG1-CD1 3.94Å; V260-I264 HydrophobicContact CG1-CG1 4.32Å; V260-W403 HydrophobicContact CG2-CZ2 4.41Å; V260-T429 PolarHBondContact N-O 3.33Å; V260-T429 PolarHBondContact O-N 3.11Å; V260-V431 HydrophobicContact CG2-CG2 4.18Å
261E90.4Very high90.3Very high92 Ų9242.4 Ų42.443%0.4323%0.228SC..EExtended strand (participates in β ladder)trans-72.3133.9171.6-173.7176.5-175.700110.6N418E261-N418 PolarHBondContact O-ND2 3.49Å; E261-N418 PolarHBondContact O-OD1 2.83Å
262G89.7Confident90.5Very high0 Ų041.7 Ų41.70%022%0.219CC..SBendtrans102.5-164.3-17500000113.3L427 T429G262-L427 PolarHBondContact N-O 3.43Å; G262-T429 PolarHBondContact O-N 3.23Å; G262-T429 PolarHBondContact O-OG1 3.11Å
263C91.9Very high90.6Very high3 Ų344.3 Ų44.32%0.0224%0.242CC..EExtended strand (participates in β ladder)trans-113108.6-176.9-175.50000110.2L245 V370 N418 I419 L427 T429L245-C263 HydrophobicContact CD1-CB 4.01Å; C263-V370 HydrophobicContact CB-CG1 4.33Å; C263-N418 PolarHBondContact N-OD1 2.96Å; C263-N418 WeakPolarHBondContact O-CA 3.3Å; C263-N418 PolarHBondContact O-OD1 3.26Å; C263-I419 HydrophobicContact CB-CB 4.35Å; C263-I419 PolarHBondContact N-O 3.14Å; C263-I419 PolarHBondContact O-N 3.15Å; C263-L427 HydrophobicContact CB-CD1 4.44Å; C263-T429 VanDerWaalsContact CA-OG1 3.31Å; C263-T429 WeakPolarHBondContact CA-OG1 3.26Å
264I93.4Very high90.6Very high4 Ų441.9 Ų41.92%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-89.3123.5175.7-53-70.4000109.8C247 V260 W403 A416 V417 N418 T429 V431C247-I264 HydrophobicContact CB-CB 4.15Å; C247-I264 HydrophobicContact CB-CG2 4.19Å; V260-I264 HydrophobicContact CB-CD1 4.3Å; V260-I264 HydrophobicContact CB-CG1 4.16Å; V260-I264 HydrophobicContact CG1-CD1 3.94Å; V260-I264 HydrophobicContact CG1-CG1 4.32Å; I264-W403 HydrophobicContact CD1-CB 4.02Å; I264-W403 HydrophobicContact CD1-CD2 4.38Å; I264-W403 HydrophobicContact CD1-CG 3.91Å; I264-W403 HydrophobicContact CG2-CE3 4.42Å; I264-A416 HydrophobicContact CG2-CB 4.27Å; I264-V417 WeakPolarHBondContact CA-O 3.39Å; I264-N418 HydrophobicContact CD1-CB 3.49Å; I264-N418 VanDerWaalsContact CD1-CB 3.49Å; I264-T429 HydrophobicContact CB-CG2 3.75Å; I264-T429 HydrophobicContact CG1-CG2 4Å; I264-T429 PolarHBondContact N-OG1 3.33Å; I264-T429 VanDerWaalsContact N-OG1 3.09Å; I264-V431 HydrophobicContact CG1-CG2 4.25Å; I264-V431 HydrophobicContact CG2-CG2 4.49Å
265L91.8Very high90.6Very high36 Ų3639 Ų3919%0.18821%0.213CC..EExtended strand (participates in β ladder)trans-128.3146.8179.7-61.3169.7000110.1V363 V366 A416 V417 I419L265-V363 HydrophobicContact CB-CG1 4.3Å; L265-V363 HydrophobicContact CD1-CB 4.45Å; L265-V363 HydrophobicContact CD1-CG1 3.53Å; L265-V363 HydrophobicContact CG-CG1 4.43Å; L265-V366 HydrophobicContact CD1-CG2 4.28Å; L265-A416 WeakPolarHBondContact O-CA 3.26Å; L265-V417 PolarHBondContact N-O 2.97Å; L265-V417 PolarHBondContact O-N 3.36Å; L265-I419 HydrophobicContact CD1-CD1 3.81Å
266L90.8Very high90.6Very high57 Ų5737.4 Ų37.430%0.29820%0.202SC..EExtended strand (participates in β ladder)trans-92.7129.5175.1-62-178.8000109.8L248 V249 L406 L414 A416L248-L266 VanDerWaalsContact O-CD1 3.31Å; L248-L266 WeakPolarHBondContact O-CD1 3.32Å; V249-L266 HydrophobicContact CG2-CD2 4.35Å; L266-L406 HydrophobicContact CD2-CD1 3.72Å; L266-L414 HydrophobicContact CD1-CD1 4.18Å; L266-A416 HydrophobicContact CD2-CB 3.77Å
267L90.2Very high90.6Very high2 Ų235 Ų351%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-114145.9-178.9-58.9-174.5000111Q271 A275 L361 V363 L414 T415 V417L267-Q271 HydrophobicContact CB-CB 3.85Å; L267-Q271 HydrophobicContact CD1-CB 4.27Å; L267-Q271 HydrophobicContact CD2-CB 4.29Å; L267-Q271 HydrophobicContact CG-CB 4.37Å; L267-A275 HydrophobicContact CD1-CB 3.81Å; L267-L361 HydrophobicContact CD1-CD1 3.84Å; L267-L361 HydrophobicContact CD1-CD2 4.35Å; L267-V363 HydrophobicContact CD2-CG1 4.17Å; L267-V363 HydrophobicContact CD2-CG2 3.99Å; L267-L414 WeakPolarHBondContact O-CA 3.33Å; L267-L414 WeakPolarHBondContact O-CD2 3.25Å; L267-T415 PolarHBondContact N-O 3.39Å; L267-T415 PolarHBondContact O-N 3.37Å; L267-V417 HydrophobicContact CD1-CB 3.96Å; L267-V417 HydrophobicContact CD1-CG1 4.48Å; L267-V417 HydrophobicContact CD1-CG2 3.42Å; L267-V417 VanDerWaalsContact CD1-CG2 3.42Å; L267-V417 HydrophobicContact CG-CB 4.38Å; L267-V417 HydrophobicContact CG-CG2 4.04Å
268S88.3Confident90.3Very high34 Ų3433.8 Ų33.824%0.23819%0.19CC..  trans-66168.7165.260.50000111.8E270 Q271 A272S268-E270 VanDerWaalsContact C-N 3.35Å; S268-E270 PolarHBondContact O-N 2.99Å; S268-Q271 PolarHBondContact O-N 3.28Å; S268-Q271 VanDerWaalsContact OG-CD 3.3Å; S268-Q271 WeakPolarHBondContact OG-CG 3.41Å; S268-Q271 PolarHBondContact OG-OE1 2.92Å; S268-A272 VanDerWaalsContact O-CB 3.29Å; S268-A272 WeakPolarHBondContact O-CB 3.22Å; S268-A272 PolarHBondContact O-N 3.24Å
269D85.9Confident89.9Confident80 Ų8036.3 Ų36.343%0.42820%0.197SC..Hα-helixtrans-58.2-42.5179-68.1-34.5000113.4Q271 A272 A273 S413D269-Q271 VanDerWaalsContact C-N 3.34Å; D269-Q271 PolarHBondContact O-N 3.36Å; D269-A272 PolarHBondContact O-N 3.13Å; D269-A273 PolarHBondContact O-N 3.3Å; D269-S413 WeakPolarHBondContact OD1-CB 3.43Å; D269-S413 PolarHBondContact OD1-OG 2.8Å; D269-S413 PolarHBondContact OD2-OG 3.46Å
270E85.5Confident88.8Confident85 Ų8543.9 Ų43.940%0.39723%0.231SC..Hα-helixtrans-64.5-42.3179.5-61.588.1171.300111.3S268 A274S268-E270 VanDerWaalsContact C-N 3.35Å; S268-E270 PolarHBondContact O-N 2.99Å; E270-A274 PolarHBondContact O-N 3.26Å
271Q90.1Very high88.4Confident14 Ų1447 Ų477%0.06524%0.244CC..Hα-helixtrans-69.3-37.1176.5-70166.4-48.700111.7L267 S268 D269 A273 A274 A275 I352 L361 V362L267-Q271 HydrophobicContact CB-CB 3.85Å; L267-Q271 HydrophobicContact CD1-CB 4.27Å; L267-Q271 HydrophobicContact CD2-CB 4.29Å; L267-Q271 HydrophobicContact CG-CB 4.37Å; S268-Q271 PolarHBondContact O-N 3.28Å; S268-Q271 VanDerWaalsContact OG-CD 3.3Å; S268-Q271 WeakPolarHBondContact OG-CG 3.41Å; S268-Q271 PolarHBondContact OG-OE1 2.92Å; D269-Q271 VanDerWaalsContact C-N 3.34Å; D269-Q271 PolarHBondContact O-N 3.36Å; Q271-A273 VanDerWaalsContact C-N 3.34Å; Q271-A273 PolarHBondContact O-N 3.26Å; Q271-A274 PolarHBondContact O-N 3.22Å; Q271-A275 WeakPolarHBondContact O-CB 2.97Å; Q271-A275 PolarHBondContact O-N 3.03Å; Q271-I352 HydrophobicContact CG-CG2 4.01Å; Q271-L361 HydrophobicContact CB-CD1 4.11Å; Q271-L361 WeakPolarHBondContact O-CD1 3.21Å; Q271-V362 PolarHBondContact NE2-O 3.17Å
272A88.8Confident88.3Confident5 Ų546.8 Ų46.84%0.04125%0.251CS..Hα-helixtrans-63.5-40.3177.400000111.6S268 D269 A274 A275 H276 T415S268-A272 VanDerWaalsContact O-CB 3.29Å; S268-A272 WeakPolarHBondContact O-CB 3.22Å; S268-A272 PolarHBondContact O-N 3.24Å; D269-A272 PolarHBondContact O-N 3.13Å; A272-A274 VanDerWaalsContact C-N 3.34Å; A272-A274 PolarHBondContact O-N 3.27Å; A272-A275 WeakPolarHBondContact O-CB 3.33Å; A272-A275 PolarHBondContact O-N 3.12Å; A272-H276 PolarHBondContact O-CD2 3.01Å; A272-H276 PolarHBondContact O-N 2.7Å; A272-T415 HydrophobicContact CB-CG2 4.31Å; A272-T415 WeakPolarHBondContact CB-OG1 3.49Å
273A89.1Confident88.5Confident60 Ų6046.9 Ų46.950%0.49625%0.251SS..Hα-helixtrans-59.6-44.5173.600000111.6D269 Q271 H276 V277D269-A273 PolarHBondContact O-N 3.3Å; Q271-A273 VanDerWaalsContact C-N 3.34Å; Q271-A273 PolarHBondContact O-N 3.26Å; A273-H276 PolarHBondContact O-N 3.26Å; A273-V277 WeakPolarHBondContact O-CG2 3.48Å; A273-V277 PolarHBondContact O-N 2.81Å
274A90.3Very high88.6Confident4 Ų450 Ų503%0.03326%0.264CS..Hα-helixtrans-63-42.9173.900000111.8E270 Q271 A272 H276 V277 V278 C356E270-A274 PolarHBondContact O-N 3.26Å; Q271-A274 PolarHBondContact O-N 3.22Å; A272-A274 VanDerWaalsContact C-N 3.34Å; A272-A274 PolarHBondContact O-N 3.27Å; A274-H276 VanDerWaalsContact C-N 3.32Å; A274-H276 PolarHBondContact O-N 3.44Å; A274-V277 PolarHBondContact O-N 3.18Å; A274-V277 VanDerWaalsContact O-N 3.09Å; A274-V278 WeakPolarHBondContact O-CG2 3.19Å; A274-V278 PolarHBondContact O-N 2.77Å; A274-V278 VanDerWaalsContact O-N 3.08Å; A274-C356 HydrophobicContact CB-CB 4.34Å
275A90.8Very high88.7Confident0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-59.7-39.4177.200000112.6L267 Q271 A272 V277 V278 K279 L361 I402 V417L267-A275 HydrophobicContact CD1-CB 3.81Å; Q271-A275 WeakPolarHBondContact O-CB 2.97Å; Q271-A275 PolarHBondContact O-N 3.03Å; A272-A275 WeakPolarHBondContact O-CB 3.33Å; A272-A275 PolarHBondContact O-N 3.12Å; A275-V277 PolarHBondContact O-N 2.71Å; A275-V278 PolarHBondContact O-N 3.14Å; A275-K279 PolarHBondContact O-N 2.77Å; A275-K279 VanDerWaalsContact O-N 3.11Å; A275-L361 HydrophobicContact CB-CD1 4.39Å; A275-L361 HydrophobicContact CB-CD2 4.03Å; A275-I402 HydrophobicContact CB-CD1 3.86Å; A275-V417 HydrophobicContact CB-CG2 4.11Å
276H90.2Very high88.9Confident81 Ų8148 Ų4838%0.37526%0.255SS..Hα-helixtrans-64.8-27.4176-82.1-62.3000113.8A272 A273 A274 K279A272-H276 PolarHBondContact O-CD2 3.01Å; A272-H276 PolarHBondContact O-N 2.7Å; A273-H276 PolarHBondContact O-N 3.26Å; A274-H276 VanDerWaalsContact C-N 3.32Å; A274-H276 PolarHBondContact O-N 3.44Å; H276-K279 WeakPolarHBondContact O-CD 3.46Å; H276-K279 WeakPolarHBondContact O-CE 3.42Å; H276-K279 VanDerWaalsContact O-CG 3.31Å; H276-K279 WeakPolarHBondContact O-CG 3.46Å
277V89.4Confident89.1Confident77 Ų7745.3 Ų45.347%0.46724%0.24SC..Hα-helixtrans-82-40.4178.1176.10000111.3A273 A274 A275 K279 Q359A273-V277 WeakPolarHBondContact O-CG2 3.48Å; A273-V277 PolarHBondContact O-N 2.81Å; A274-V277 PolarHBondContact O-N 3.18Å; A274-V277 VanDerWaalsContact O-N 3.09Å; A275-V277 PolarHBondContact O-N 2.71Å; V277-K279 VanDerWaalsContact C-N 3.34Å; V277-Q359 HydrophobicContact CG1-CB 4.03Å; V277-Q359 HydrophobicContact CG1-CG 3.82Å
278V88.6Confident89.4Confident2 Ų245.3 Ų45.31%0.01224%0.24CC..Hα-helixtrans-86.2-3.1-176.5-56.40000113.9A274 A275 L283 K339 Q359 L361 V400A274-V278 WeakPolarHBondContact O-CG2 3.19Å; A274-V278 PolarHBondContact O-N 2.77Å; A274-V278 VanDerWaalsContact O-N 3.08Å; A275-V278 PolarHBondContact O-N 3.14Å; V278-L283 HydrophobicContact CB-CD1 3.91Å; V278-L283 HydrophobicContact CB-CD2 3.99Å; V278-L283 HydrophobicContact CG2-CD1 3.85Å; V278-K339 HydrophobicContact CG1-CB 4.49Å; V278-Q359 VanDerWaalsContact CG1-O 3.28Å; V278-Q359 WeakPolarHBondContact CG1-O 3.3Å; V278-L361 HydrophobicContact CG2-CB 4.27Å; V278-L361 HydrophobicContact CG2-CD2 4.44Å; V278-V400 HydrophobicContact CG2-CG1 4.43Å
279K85.9Confident89.5Confident89 Ų8946.2 Ų46.239%0.38725%0.245SC..THydrogen-bonded Turntrans-60.9153.6179.972.8-175.7-1801770112.5A275 H276 V277 Q281 V400A275-K279 PolarHBondContact O-N 2.77Å; A275-K279 VanDerWaalsContact O-N 3.11Å; H276-K279 WeakPolarHBondContact O-CD 3.46Å; H276-K279 WeakPolarHBondContact O-CE 3.42Å; H276-K279 VanDerWaalsContact O-CG 3.31Å; H276-K279 WeakPolarHBondContact O-CG 3.46Å; V277-K279 VanDerWaalsContact C-N 3.34Å; K279-Q281 VanDerWaalsContact C-N 3.34Å; K279-Q281 PolarHBondContact O-N 3.37Å; K279-V400 WeakPolarHBondContact CA-O 3.17Å
280Q72.4Confident89.7Confident171 Ų17142.5 Ų42.580%0.79923%0.225SC*.THydrogen-bonded Turntrans67.816171.1-58.4-175.8-10.700117.4
281Q82.4Confident90Very high90 Ų9041.1 Ų41.142%0.42122%0.22SC..SBendtrans-132148.2169.963.9-174.9-1.900110.2K279 L283K279-Q281 VanDerWaalsContact C-N 3.34Å; K279-Q281 PolarHBondContact O-N 3.37Å; Q281-L283 HydrophobicContact CG-CD2 3.6Å; Q281-L283 PolarHBondContact O-N 3.03Å
282P88.6Confident90Very high88 Ų8840.5 Ų40.557%0.57122%0.217SC*.  trans-65128.3171.227.2-32.5000109.4
283L93.3Very high90Very high2 Ų241.1 Ų41.11%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-107.1141.8-174.8-55.9178.6000111.5V278 Q281 K339 L340 G397 V398 V400V278-L283 HydrophobicContact CB-CD1 3.91Å; V278-L283 HydrophobicContact CB-CD2 3.99Å; V278-L283 HydrophobicContact CG2-CD1 3.85Å; Q281-L283 HydrophobicContact CG-CD2 3.6Å; Q281-L283 PolarHBondContact O-N 3.03Å; L283-K339 HydrophobicContact CB-CB 4.31Å; L283-K339 HydrophobicContact CD2-CB 3.8Å; L283-K339 HydrophobicContact CD2-CG 4.4Å; L283-K339 HydrophobicContact CG-CB 4.45Å; L283-L340 HydrophobicContact CD1-CB 4.28Å; L283-G397 PolarHBondContact O-N 2.92Å; L283-V398 WeakPolarHBondContact CB-O 3.32Å; L283-V398 PolarHBondContact N-O 3.38Å; L283-V398 PolarHBondContact O-N 2.92Å; L283-V400 HydrophobicContact CD1-CB 4.08Å; L283-V400 HydrophobicContact CD1-CG2 3.53Å
284K94.6Very high89.9Confident68 Ų6840.4 Ų40.430%0.29621%0.208SC..EExtended strand (participates in β ladder)trans-71.8126.7161.7-75.9179.8175.9179.50110.3E337 K339 L340 V394 G395K284-E337 WeakPolarHBondContact CB-O 3.3Å; K284-E337 HydrophobicContact CD-CB 3.83Å; K284-E337 IonicContact NZ-OE2 3.27Å; K284-E337 PolarHBondContact NZ-OE2 3.46Å; K284-K339 PolarHBondContact O-N 2.91Å; K284-L340 PolarHBondContact O-N 3.49Å; K284-V394 HydrophobicContact CB-CG1 3.74Å; K284-V394 HydrophobicContact CD-CG1 4.32Å; K284-V394 HydrophobicContact CG-CG1 4.13Å; K284-G395 CarbonylContact C-O 3.46Å; K284-G395 VanDerWaalsContact CA-O 3.25Å; K284-G395 WeakPolarHBondContact CA-O 3.33Å
285V95.4Very high89.6Confident0 Ų045.4 Ų45.40%024%0.238CC..EExtended strand (participates in β ladder)trans-116.5136.8-174.365.80000112.2L287 L340 L342 I374 T378 A380 G395 V398V285-L287 HydrophobicContact CG2-CD2 3.93Å; V285-L340 CarbonylContact C-O 3.4Å; V285-L340 VanDerWaalsContact CA-O 3.31Å; V285-L340 WeakPolarHBondContact CA-O 3.26Å; V285-L340 HydrophobicContact CB-CB 4.39Å; V285-L340 HydrophobicContact CB-CD2 4.41Å; V285-L340 HydrophobicContact CG2-CB 4.22Å; V285-L340 HydrophobicContact CG2-CD2 3.91Å; V285-L340 HydrophobicContact CG2-CG 3.97Å; V285-L342 HydrophobicContact CG2-CD1 4.23Å; V285-L342 HydrophobicContact CG2-CG 4.15Å; V285-I374 HydrophobicContact CG1-CG2 4.47Å; V285-T378 HydrophobicContact CG1-CG2 4.22Å; V285-A380 HydrophobicContact CG1-CB 4.23Å; V285-G395 PolarHBondContact N-O 3.46Å; V285-G395 PolarHBondContact O-N 3.46Å; V285-V398 HydrophobicContact CB-CG2 3.81Å; V285-V398 HydrophobicContact CG1-CG2 3.52Å; V285-V398 HydrophobicContact CG2-CG2 4.39Å
286A96.4Very high89.3Confident0 Ų047.7 Ų47.70%025%0.247CC..EExtended strand (participates in β ladder)trans-108.8135.9167.400000110.5V338 L340 I341 L342 L389A286-V338 HydrophobicContact CB-CG1 3.82Å; A286-V338 HydrophobicContact CB-CG2 4.23Å; A286-L340 PolarHBondContact N-O 3.27Å; A286-I341 WeakPolarHBondContact O-CA 3.4Å; A286-L342 PolarHBondContact O-N 2.89Å; A286-L389 HydrophobicContact CB-CD1 4.08Å; A286-L389 HydrophobicContact CB-CD2 3.92Å
287L96.1Very high88.9Confident0 Ų050.6 Ų50.60%026%0.255CS..EExtended strand (participates in β ladder)trans-110.7122.3179.2-56-178.7000109.7V285 L342 L371 I374 G375 A380 P382 V383V285-L287 HydrophobicContact CG2-CD2 3.93Å; L287-L342 HydrophobicContact CD2-CB 3.94Å; L287-L342 HydrophobicContact CD2-CD1 3.95Å; L287-L342 HydrophobicContact CD2-CG 4.29Å; L287-L371 VanDerWaalsContact CD1-O 3.32Å; L287-L371 WeakPolarHBondContact CD1-O 3.39Å; L287-L371 HydrophobicContact CD2-CD2 3.9Å; L287-I374 HydrophobicContact CD2-CG2 4.24Å; L287-G375 VanDerWaalsContact CD1-CA 3.46Å; L287-A380 HydrophobicContact CD1-CB 3.58Å; L287-A380 HydrophobicContact CG-CB 3.76Å; L287-P382 HydrophobicContact CB-CB 4.2Å; L287-P382 HydrophobicContact CB-CG 4.28Å; L287-P382 HydrophobicContact CD1-CG 4.11Å; L287-P382 WeakPolarHBondContact O-CA 3.14Å; L287-V383 PolarHBondContact O-N 3.24Å
288I94.6Very high88.4Confident1 Ų150.4 Ų50.41%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-121.7128.7-178.6-54.5179.7000109.2G290 L292 I341 L342 T343 A344 V383 A386I288-G290 WeakPolarHBondContact CG2-O 3.06Å; I288-L292 HydrophobicContact CD1-CD1 3.86Å; I288-I341 HydrophobicContact CD1-CG2 3.83Å; I288-I341 HydrophobicContact CG1-CG2 4.29Å; I288-L342 PolarHBondContact N-O 2.86Å; I288-T343 CarbonylContact O-C 3.54Å; I288-T343 WeakPolarHBondContact O-CA 3.44Å; I288-T343 PolarHBondContact O-OG1 3Å; I288-A344 PolarHBondContact O-N 3.02Å; I288-V383 CarbonylContact C-O 3.49Å; I288-V383 VanDerWaalsContact CA-O 3.3Å; I288-V383 WeakPolarHBondContact CA-O 3.47Å; I288-V383 HydrophobicContact CG1-CG2 4.32Å; I288-A386 HydrophobicContact CD1-CB 4.02Å
289T92.1Very high87.5Confident54 Ų5458.7 Ų58.733%0.33129%0.292SS..SBendtrans-91-23.3179.957.60000112.7P382 V383 N384T289-P382 HydrophobicContact CG2-CB 3.77Å; T289-V383 PolarHBondContact N-O 3.29Å; T289-V383 PolarHBondContact OG1-O 3.12Å; T289-N384 WeakPolarHBondContact OG1-CA 3.41Å; T289-N384 PolarHBondContact OG1-OD1 2.88Å
290G89.9Confident86.5Confident1 Ų158.1 Ų58.11%0.0131%0.311CS..SBendtrans-97.3178.3178.900000114.3I288 Y296 T343I288-G290 WeakPolarHBondContact CG2-O 3.06Å; G290-Y296 VanDerWaalsContact CA-CE1 3.48Å; G290-Y296 WeakPolarHBondContact CA-OH 3.35Å; G290-T343 PolarHBondContact O-OG1 3.14Å
291D90.9Very high85.9Confident56 Ų5656.4 Ų56.430%0.29930%0.301SS..  trans-70.7142.3175-56.7-26.9000110.6S293 Y296 G345 L346D291-S293 VanDerWaalsContact C-N 3.3Å; D291-S293 PolarHBondContact O-N 3.03Å; D291-Y296 HydrophobicContact CB-CD2 3.43Å; D291-Y296 VanDerWaalsContact CB-CD2 3.43Å; D291-Y296 HydrophobicContact CB-CE2 4.12Å; D291-Y296 HydrophobicContact CB-CG 3.73Å; D291-Y296 WeakPolarHBondContact OD2-CD2 3.48Å; D291-G345 WeakPolarHBondContact OD1-CA 3.5Å; D291-L346 CarbonylContact C-O 3.54Å; D291-L346 VanDerWaalsContact CA-O 3.26Å; D291-L346 WeakPolarHBondContact CA-O 3.36Å; D291-L346 WeakPolarHBondContact CB-O 3.37Å; D291-L346 PolarHBondContact OD1-N 2.77Å
292L90.4Very high84.4Confident2 Ų261.3 Ų61.31%0.0132%0.321CS..BIsolated β-bridgetrans-9271.5174.7-168.162.4000109.2I288 W325 V329 I341 L346 V347 S348 V351 V362 A386I288-L292 HydrophobicContact CD1-CD1 3.86Å; L292-W325 HydrophobicContact CD1-CH2 4.22Å; L292-V329 HydrophobicContact CD1-CG1 4.38Å; L292-I341 HydrophobicContact CD2-CD1 4.46Å; L292-I341 HydrophobicContact CD2-CG2 4.46Å; L292-L346 PolarHBondContact N-O 2.88Å; L292-V347 HydrophobicContact CB-CB 4.33Å; L292-V347 HydrophobicContact CB-CG1 4.05Å; L292-V347 HydrophobicContact CB-CG2 3.97Å; L292-V347 HydrophobicContact CD2-CG1 4Å; L292-V347 HydrophobicContact CD2-CG2 4.43Å; L292-V347 HydrophobicContact CG-CG1 4.29Å; L292-S348 PolarHBondContact O-N 3.4Å; L292-V351 HydrophobicContact CD2-CG1 3.53Å; L292-V351 HydrophobicContact CG-CG1 3.86Å; L292-V362 HydrophobicContact CD2-CG1 4.21Å; L292-A386 HydrophobicContact CD1-CB 3.46Å; L292-A386 VanDerWaalsContact CD1-CB 3.46Å
293S89.8Confident82.5Confident17 Ų1762.1 Ų62.112%0.11933%0.329CS..SBendtrans-145.1152.5176.667.20000111.1D291 T295 Y296 W325D291-S293 VanDerWaalsContact C-N 3.3Å; D291-S293 PolarHBondContact O-N 3.03Å; S293-T295 PolarHBondContact O-N 3.01Å; S293-T295 PolarHBondContact OG-OG1 3.2Å; S293-Y296 WeakPolarHBondContact O-CB 3.13Å; S293-Y296 PolarHBondContact O-N 3.14Å; S293-Y296 PolarHBondContact OG-N 3.45Å; S293-W325 VanDerWaalsContact C-CH2 3.42Å
294Q85.8Confident80.4Confident46 Ų4667.7 Ų67.722%0.21536%0.358CS..THydrogen-bonded Turntrans-61.4-30175.4-169.9-152.113.200111.9R297 K321 E322 W325Q294-R297 PolarHBondContact O-NH1 2.78Å; Q294-K321 VanDerWaalsContact NE2-C 3.32Å; Q294-K321 PolarHBondContact NE2-O 3.33Å; Q294-E322 HydrophobicContact CB-CG 4.18Å; Q294-E322 VanDerWaalsContact OE1-CA 3.31Å; Q294-E322 VanDerWaalsContact OE1-CB 3.3Å; Q294-W325 HydrophobicContact CB-CB 4.42Å; Q294-W325 HydrophobicContact CB-CD2 3.9Å; Q294-W325 HydrophobicContact CB-CE3 3.91Å; Q294-W325 HydrophobicContact CB-CG 4.13Å; Q294-W325 HydrophobicContact CG-CB 3.96Å; Q294-W325 HydrophobicContact CG-CD2 4.19Å; Q294-W325 HydrophobicContact CG-CG 3.87Å
295T83.9Confident77.8Confident109 Ų10970.8 Ų70.867%0.66939%0.385SS*.THydrogen-bonded Turntrans-81-13-177.348.90000113.6S293 R297S293-T295 PolarHBondContact O-N 3.01Å; S293-T295 PolarHBondContact OG-OG1 3.2Å; T295-R297 PolarHBondContact O-N 3.2Å
296Y83.6Confident75.5Confident48 Ų4874.2 Ų74.219%0.18842%0.42CS..  trans-62.8131.4-176.2-178.5-114.9000112.5G290 D291 S293 Y385G290-Y296 VanDerWaalsContact CA-CE1 3.48Å; G290-Y296 WeakPolarHBondContact CA-OH 3.35Å; D291-Y296 HydrophobicContact CB-CD2 3.43Å; D291-Y296 VanDerWaalsContact CB-CD2 3.43Å; D291-Y296 HydrophobicContact CB-CE2 4.12Å; D291-Y296 HydrophobicContact CB-CG 3.73Å; D291-Y296 WeakPolarHBondContact OD2-CD2 3.48Å; S293-Y296 WeakPolarHBondContact O-CB 3.13Å; S293-Y296 PolarHBondContact O-N 3.14Å; S293-Y296 PolarHBondContact OG-N 3.45Å; Y296-Y385 AromaticContact CD1-CD1 3.93Å; Y296-Y385 HydrophobicContact CD1-CD1 3.93Å; Y296-Y385 AromaticContact CD1-CE1 3.57Å; Y296-Y385 HydrophobicContact CD1-CE1 3.57Å; Y296-Y385 HydrophobicContact CE1-CD1 4.36Å; Y296-Y385 AromaticContact CE1-CE1 3.91Å; Y296-Y385 HydrophobicContact CE1-CE1 3.91Å
297R83.3Confident72.8Confident142 Ų14281.9 Ų81.954%0.53646%0.456SS..  trans-135.3129.3174.2-60-65.2178-90.3-3108.5Q294 T295 F301Q294-R297 PolarHBondContact O-NH1 2.78Å; T295-R297 PolarHBondContact O-N 3.2Å; R297-F301 HydrophobicContact CB-CB 4.46Å
298H78.9Confident70.1Confident72 Ų7290.2 Ų90.233%0.33350%0.495SS..  trans-58.7149.517568.2-68.9000112.1G300 F301 Y385H298-G300 PolarHBondContact O-N 2.89Å; H298-F301 AromaticContact CE1-CD2 3.22Å; H298-F301 WeakPolarHBondContact CE1-CD2 3.3Å; H298-F301 AromaticContact CE1-CG 3.61Å; H298-F301 AromaticContact NE2-CD2 3.68Å; H298-F301 PolarHBondContact O-N 3.28Å; H298-Y385 VanDerWaalsContact CB-OH 3.32Å; H298-Y385 WeakPolarHBondContact CB-OH 3.32Å; H298-Y385 VanDerWaalsContact CG-OH 3.31Å; H298-Y385 PolarHBondContact N-OH 3.11Å; H298-Y385 AromaticContact ND1-CZ 3.92Å; H298-Y385 PolarHBondContact ND1-OH 2.92Å
299L70.1Confident67.4Low177 Ų17795.3 Ų95.393%0.92753%0.53SS*.THydrogen-bonded Turntrans-54.8123.5176.9-67.3169.9000110.2
300G63.8Low64.8Low77 Ų7798.7 Ų98.779%0.79455%0.55SS*.THydrogen-bonded Turntrans110.4-20.8-174.700000113.9H298 K302H298-G300 PolarHBondContact O-N 2.89Å; G300-K302 PolarHBondContact O-N 3.28Å
301F60.4Low62.3Low135 Ų135103.8 Ų103.859%0.59258%0.584SS**  trans-98.375.2174.8-125.5-94.4000110.4R297 H298R297-F301 HydrophobicContact CB-CB 4.46Å; H298-F301 AromaticContact CE1-CD2 3.22Å; H298-F301 WeakPolarHBondContact CE1-CD2 3.3Å; H298-F301 AromaticContact CE1-CG 3.61Å; H298-F301 AromaticContact NE2-CD2 3.68Å; H298-F301 PolarHBondContact O-N 3.28Å
302K50.4Low59.9Low193 Ų193109.8 Ų109.884%0.83961%0.61SS**PPolyproline II helixtrans-79.3124.6167.7-67.1-174.6180-177.50107.9G300 L304G300-K302 PolarHBondContact O-N 3.28Å; K302-L304 PolarHBondContact O-N 3.07Å
303S49.9Very low57.4Low104 Ų104115.7 Ų115.773%0.72764%0.642SS**PPolyproline II helixtrans-57130156.6139.50000106.5P305S303-P305 WeakPolarHBondContact O-CD 3.44Å
304L47.8Very low55.2Low119 Ų119121.7 Ų121.762%0.62367%0.672SS**PPolyproline II helixtrans-54.5121.8172-85.8133.1000107.8K302 G306K302-L304 PolarHBondContact O-N 3.07Å; L304-G306 VanDerWaalsContact C-N 3.34Å; L304-G306 PolarHBondContact O-N 3.45Å
305P40Very low53.3Low134 Ų134126.6 Ų126.687%0.8770%0.699SS**THydrogen-bonded Turntrans-71.495.4175.327.6-28.3000107.1S303S303-P305 WeakPolarHBondContact O-CD 3.44Å
306G46.7Very low51.6Low71 Ų71128.3 Ų128.373%0.73270%0.704SS**THydrogen-bonded Turntrans148.7-8.2178.100000117L304 Q308L304-G306 VanDerWaalsContact C-N 3.34Å; L304-G306 PolarHBondContact O-N 3.45Å; G306-Q308 VanDerWaalsContact C-N 3.26Å; G306-Q308 PolarHBondContact O-N 3Å
307E41.2Very low50Low161 Ų161128.3 Ų128.375%0.75271%0.711SS**  trans-80.680.6171.4-73.2-174.8175.100110.2C309E307-C309 VanDerWaalsContact C-N 3.28Å; E307-C309 PolarHBondContact O-N 3Å
308Q38.1Very low48.6Very low176 Ų176125.9 Ų125.982%0.82271%0.712SS**  trans-66.294.6158.9-162.5167.218.200106.5G306 V310G306-Q308 VanDerWaalsContact C-N 3.26Å; G306-Q308 PolarHBondContact O-N 3Å; Q308-V310 PolarHBondContact O-N 2.87Å
309C38.3Very low47.6Very low108 Ų108124.9 Ų124.973%0.7371%0.713SS**  trans-63.1105.1167.6-169.60000106.5E307 C311E307-C309 VanDerWaalsContact C-N 3.28Å; E307-C309 PolarHBondContact O-N 3Å; C309-C311 PolarHBondContact O-N 3.27Å
310V38.2Very low47.7Very low125 Ų125121.1 Ų121.176%0.75869%0.693SS**  trans-70.974.6172-175.60000107.5Q308Q308-V310 PolarHBondContact O-N 2.87Å
311C37Very low48.4Very low108 Ų108123.4 Ų123.473%0.7368%0.682SS**  trans-124.195.3149.6-75.20000104.9C309 D313C309-C311 PolarHBondContact O-N 3.27Å; C311-D313 PolarHBondContact O-N 3.23Å
312E40.6Very low49.5Very low182 Ų182119.2 Ų119.285%0.8566%0.664SS**  trans-52.7107164.3-75.1173.713700108.5
313D38.2Very low51.2Low126 Ų126112.6 Ų112.667%0.67464%0.638SS**  trans-156.8101.7134.9-99.1-26.4000108.9C311 S317C311-D313 PolarHBondContact O-N 3.23Å; D313-S317 PolarHBondContact O-OG 3.22Å
314L43Very low53Low142 Ų142111.9 Ų111.974%0.74362%0.623SS**THydrogen-bonded Turntrans-13.1130.7167.2-66.5138.5000115.1L316L314-L316 PolarHBondContact O-N 3.26Å
315D46.7Very low55.2Low149 Ų149108.5 Ų108.580%0.79760%0.602SS**THydrogen-bonded Turntrans21.2-24156-63.2-27.3000122.3
316L46.7Very low57.6Low146 Ų146102.2 Ų102.276%0.76456%0.561SS**Hα-helixtrans-72.9-26.6169.5-62.3170.4000113.2L314 N320L314-L316 PolarHBondContact O-N 3.26Å; L316-N320 PolarHBondContact O-N 3.26Å
317S51.3Low59.8Low47 Ų47102.1 Ų102.133%0.32954%0.544SS..Hα-helixtrans-77.1-25.8-175.768.10000114.1D313 K321D313-S317 PolarHBondContact O-OG 3.22Å; S317-K321 VanDerWaalsContact O-CG 3.32Å; S317-K321 WeakPolarHBondContact O-CG 3.13Å; S317-K321 PolarHBondContact O-N 3.28Å
318V53.3Low62.2Low92 Ų92100.4 Ų100.456%0.55853%0.533SS*.Hα-helixtrans-75.3-43.7178.1-179.80000111.1N320 K321 E322V318-N320 VanDerWaalsContact C-N 3.3Å; V318-N320 PolarHBondContact O-N 3.47Å; V318-K321 PolarHBondContact O-N 2.92Å; V318-E322 PolarHBondContact O-N 2.93Å
319S58.8Low64.9Low51 Ų5192 Ų9236%0.35750%0.495SS..Hα-helixtrans-59.6-44.2173.7-170.60000110.7K321 E322 D323 K350S319-K321 VanDerWaalsContact C-N 3.32Å; S319-K321 PolarHBondContact O-N 3.34Å; S319-E322 PolarHBondContact O-N 3.39Å; S319-E322 VanDerWaalsContact O-N 3.15Å; S319-D323 WeakPolarHBondContact O-CB 3.37Å; S319-D323 PolarHBondContact O-N 3.44Å; S319-D323 PolarHBondContact OG-OD2 2.83Å; S319-D323 VanDerWaalsContact OG-OD2 3.08Å; S319-K350 PolarHBondContact OG-NZ 2.96Å
320N70.6Confident67.5Low97 Ų9787.1 Ų87.152%0.51946%0.461SS..Hα-helixtrans-62.6-38.9-179.2-156.618.6000112.1L316 V318 D323 E324L316-N320 PolarHBondContact O-N 3.26Å; V318-N320 VanDerWaalsContact C-N 3.3Å; V318-N320 PolarHBondContact O-N 3.47Å; N320-D323 PolarHBondContact O-N 3.13Å; N320-E324 WeakPolarHBondContact O-CB 3.26Å; N320-E324 WeakPolarHBondContact O-CG 3.36Å; N320-E324 PolarHBondContact O-N 2.94Å
321K79.2Confident70.2Confident126 Ų12687.5 Ų87.555%0.54845%0.453SS..Hα-helixtrans-68-35.2175.2-73.9175.4-179174.50113.1Q294 S317 V318 S319 W325Q294-K321 VanDerWaalsContact NE2-C 3.32Å; Q294-K321 PolarHBondContact NE2-O 3.33Å; S317-K321 VanDerWaalsContact O-CG 3.32Å; S317-K321 WeakPolarHBondContact O-CG 3.13Å; S317-K321 PolarHBondContact O-N 3.28Å; V318-K321 PolarHBondContact O-N 2.92Å; S319-K321 VanDerWaalsContact C-N 3.32Å; S319-K321 PolarHBondContact O-N 3.34Å; K321-W325 WeakPolarHBondContact O-CB 3.45Å; K321-W325 PolarHBondContact O-N 3.37Å; K321-W325 VanDerWaalsContact O-N 3.13Å
322E82.8Confident73Confident47 Ų4784.5 Ų84.522%0.2243%0.429CS..Hα-helixtrans-67.3-48.6174.6-168.9-173.1-168.900110.3Q294 V318 S319 E324 W325 V326 K350Q294-E322 HydrophobicContact CB-CG 4.18Å; Q294-E322 VanDerWaalsContact OE1-CA 3.31Å; Q294-E322 VanDerWaalsContact OE1-CB 3.3Å; V318-E322 PolarHBondContact O-N 2.93Å; S319-E322 PolarHBondContact O-N 3.39Å; S319-E322 VanDerWaalsContact O-N 3.15Å; E322-E324 PolarHBondContact O-N 3.23Å; E322-W325 CarbonylContact O-C 3.51Å; E322-W325 WeakPolarHBondContact O-CA 3.36Å; E322-W325 WeakPolarHBondContact O-CB 3.43Å; E322-W325 PolarHBondContact O-N 3.1Å; E322-V326 WeakPolarHBondContact O-CG2 3.41Å; E322-V326 PolarHBondContact O-N 3.13Å; E322-K350 HydrophobicContact CG-CD 4.49Å; E322-K350 WeakPolarHBondContact OE2-CD 3.34Å; E322-K350 WeakPolarHBondContact OE2-CE 3.4Å; E322-K350 IonicContact OE2-NZ 2.82Å; E322-K350 PolarHBondContact OE2-NZ 3.17Å
323D86.9Confident75.6Confident54 Ų5475.9 Ų75.929%0.28939%0.389SS..Hα-helixtrans-63.6-42.7-178.5-60.6-31.1000110.8S319 N320 W325 V326 D327 K350S319-D323 WeakPolarHBondContact O-CB 3.37Å; S319-D323 PolarHBondContact O-N 3.44Å; S319-D323 PolarHBondContact OG-OD2 2.83Å; S319-D323 VanDerWaalsContact OG-OD2 3.08Å; N320-D323 PolarHBondContact O-N 3.13Å; D323-W325 VanDerWaalsContact C-N 3.3Å; D323-W325 PolarHBondContact O-N 3.39Å; D323-V326 PolarHBondContact O-N 3.03Å; D323-D327 WeakPolarHBondContact O-CB 3.29Å; D323-D327 PolarHBondContact O-N 3.37Å; D323-K350 IonicContact OD1-NZ 2.91Å; D323-K350 PolarHBondContact OD1-NZ 3.11Å; D323-K350 IonicContact OD2-NZ 2.79Å
324E88.7Confident78.3Confident89 Ų8973 Ų7342%0.41637%0.373SS..Hα-helixtrans-58.9-39.3170.7-82.6-172.1-155.800113.1N320 E322 K328N320-E324 WeakPolarHBondContact O-CB 3.26Å; N320-E324 WeakPolarHBondContact O-CG 3.36Å; N320-E324 PolarHBondContact O-N 2.94Å; E322-E324 PolarHBondContact O-N 3.23Å; E324-K328 WeakPolarHBondContact O-CB 3.26Å; E324-K328 WeakPolarHBondContact O-CD 3.32Å; E324-K328 WeakPolarHBondContact O-CG 3.23Å; E324-K328 PolarHBondContact O-N 3.03Å; E324-K328 IonicContact OE2-NZ 3.92Å; E324-K328 PolarHBondContact OE2-NZ 3.37Å; E324-K328 VanDerWaalsContact OE2-NZ 3.12Å
325W92.3Very high80.8Confident48 Ų4872.5 Ų72.518%0.18237%0.371CS..Hα-helixtrans-69.2-43.5178.8177.690.3000111L292 S293 Q294 K321 E322 D323 D327 K328 V329 V351L292-W325 HydrophobicContact CD1-CH2 4.22Å; S293-W325 VanDerWaalsContact C-CH2 3.42Å; Q294-W325 HydrophobicContact CB-CB 4.42Å; Q294-W325 HydrophobicContact CB-CD2 3.9Å; Q294-W325 HydrophobicContact CB-CE3 3.91Å; Q294-W325 HydrophobicContact CB-CG 4.13Å; Q294-W325 HydrophobicContact CG-CB 3.96Å; Q294-W325 HydrophobicContact CG-CD2 4.19Å; Q294-W325 HydrophobicContact CG-CG 3.87Å; K321-W325 WeakPolarHBondContact O-CB 3.45Å; K321-W325 PolarHBondContact O-N 3.37Å; K321-W325 VanDerWaalsContact O-N 3.13Å; E322-W325 CarbonylContact O-C 3.51Å; E322-W325 WeakPolarHBondContact O-CA 3.36Å; E322-W325 WeakPolarHBondContact O-CB 3.43Å; E322-W325 PolarHBondContact O-N 3.1Å; D323-W325 VanDerWaalsContact C-N 3.3Å; D323-W325 PolarHBondContact O-N 3.39Å; W325-D327 VanDerWaalsContact C-N 3.33Å; W325-D327 PolarHBondContact O-N 3.39Å; W325-K328 PolarHBondContact O-N 2.97Å; W325-V329 HydrophobicContact CD2-CG2 3.99Å; W325-V329 HydrophobicContact CE3-CG2 4.29Å; W325-V329 HydrophobicContact CH2-CG2 4Å; W325-V329 HydrophobicContact CZ2-CG2 3.68Å; W325-V329 HydrophobicContact CZ3-CG2 4.29Å; W325-V329 WeakPolarHBondContact O-CG2 3.44Å; W325-V329 PolarHBondContact O-N 2.82Å; W325-V351 HydrophobicContact CZ3-CG2 3.79Å
326V92.1Very high83.1Confident1 Ų166.7 Ų66.71%0.00634%0.34CS..Hα-helixtrans-58.6-47.2175174.60000110E322 D323 K328 V329 V330 V351 H354E322-V326 WeakPolarHBondContact O-CG2 3.41Å; E322-V326 PolarHBondContact O-N 3.13Å; D323-V326 PolarHBondContact O-N 3.03Å; V326-K328 VanDerWaalsContact C-N 3.34Å; V326-K328 PolarHBondContact O-N 2.87Å; V326-V329 PolarHBondContact O-N 3Å; V326-V330 HydrophobicContact CG1-CG2 4.17Å; V326-V330 WeakPolarHBondContact O-CB 3.5Å; V326-V330 VanDerWaalsContact O-CG2 3.25Å; V326-V330 WeakPolarHBondContact O-CG2 3.32Å; V326-V330 PolarHBondContact O-N 3.17Å; V326-V351 HydrophobicContact CG1-CG2 4.34Å; V326-V351 HydrophobicContact CG2-CG2 3.76Å; V326-H354 HydrophobicContact CG1-CB 3.84Å
327D91.4Very high85.3Confident70 Ų7065.5 Ų65.537%0.37433%0.331SS..Hα-helixtrans-62.1-40.1178.2-80.5-12.4000112.5D323 W325 K331 H354D323-D327 WeakPolarHBondContact O-CB 3.29Å; D323-D327 PolarHBondContact O-N 3.37Å; W325-D327 VanDerWaalsContact C-N 3.33Å; W325-D327 PolarHBondContact O-N 3.39Å; D327-K331 VanDerWaalsContact O-CB 3.28Å; D327-K331 WeakPolarHBondContact O-CB 3.3Å; D327-K331 VanDerWaalsContact O-CG 3.23Å; D327-K331 WeakPolarHBondContact O-CG 3.41Å; D327-K331 PolarHBondContact O-N 3.26Å; D327-H354 IonicContact OD1-CE1 2.7Å; D327-H354 IonicContact OD1-ND1 3.71Å
328K92.5Very high87.4Confident124 Ų12463.3 Ų63.354%0.53932%0.315SS..Hα-helixtrans-62.3-45.1174.7-76.1164.3-172.4156.70111.3E324 W325 V326 L332E324-K328 WeakPolarHBondContact O-CB 3.26Å; E324-K328 WeakPolarHBondContact O-CD 3.32Å; E324-K328 WeakPolarHBondContact O-CG 3.23Å; E324-K328 PolarHBondContact O-N 3.03Å; E324-K328 IonicContact OE2-NZ 3.92Å; E324-K328 PolarHBondContact OE2-NZ 3.37Å; E324-K328 VanDerWaalsContact OE2-NZ 3.12Å; W325-K328 PolarHBondContact O-N 2.97Å; V326-K328 VanDerWaalsContact C-N 3.34Å; V326-K328 PolarHBondContact O-N 2.87Å; K328-L332 WeakPolarHBondContact O-CB 3.21Å; K328-L332 PolarHBondContact O-N 3.23Å
329V93.5Very high89.4Confident1 Ų161.6 Ų61.61%0.00630%0.3CS..Hα-helixtrans-65.4-46.3179.1169.90000111.1L292 W325 V326 K331 L332 L333 A386 T387L292-V329 HydrophobicContact CD1-CG1 4.38Å; W325-V329 HydrophobicContact CD2-CG2 3.99Å; W325-V329 HydrophobicContact CE3-CG2 4.29Å; W325-V329 HydrophobicContact CH2-CG2 4Å; W325-V329 HydrophobicContact CZ2-CG2 3.68Å; W325-V329 HydrophobicContact CZ3-CG2 4.29Å; W325-V329 WeakPolarHBondContact O-CG2 3.44Å; W325-V329 PolarHBondContact O-N 2.82Å; V326-V329 PolarHBondContact O-N 3Å; V329-K331 PolarHBondContact O-N 3Å; V329-L332 WeakPolarHBondContact O-CB 3.42Å; V329-L332 PolarHBondContact O-N 3.43Å; V329-L333 HydrophobicContact CG1-CD1 3.84Å; V329-L333 HydrophobicContact CG1-CG 4.43Å; V329-L333 WeakPolarHBondContact O-CD1 3.48Å; V329-L333 VanDerWaalsContact O-CG 3.26Å; V329-L333 WeakPolarHBondContact O-CG 3.24Å; V329-L333 PolarHBondContact O-N 3.38Å; V329-A386 HydrophobicContact CG1-CB 3.82Å; V329-A386 HydrophobicContact CG2-CB 4.16Å; V329-T387 HydrophobicContact CG2-CG2 4.44Å
330V93.9Very high91.1Very high4 Ų459.2 Ų59.22%0.02428%0.283CS..Hα-helixtrans-64.6-42179.2173.40000111.2V326 L332 L333 L334 H354 H358V326-V330 HydrophobicContact CG1-CG2 4.17Å; V326-V330 WeakPolarHBondContact O-CB 3.5Å; V326-V330 VanDerWaalsContact O-CG2 3.25Å; V326-V330 WeakPolarHBondContact O-CG2 3.32Å; V326-V330 PolarHBondContact O-N 3.17Å; V330-L332 VanDerWaalsContact C-N 3.33Å; V330-L332 PolarHBondContact O-N 3.44Å; V330-L333 PolarHBondContact O-N 3Å; V330-L334 HydrophobicContact CG1-CD1 4.09Å; V330-L334 HydrophobicContact CG1-CG 4.48Å; V330-L334 WeakPolarHBondContact O-CB 3.34Å; V330-L334 VanDerWaalsContact O-CG 3.32Å; V330-L334 WeakPolarHBondContact O-CG 3.25Å; V330-L334 PolarHBondContact O-N 3.03Å; V330-H354 HydrophobicContact CG2-CB 3.96Å; V330-H358 VanDerWaalsContact CG1-CD2 3.42Å; V330-H358 WeakPolarHBondContact CG1-CD2 3.38Å
331K95Very high92.3Very high134 Ų13454.6 Ų54.658%0.58326%0.259SS*.Hα-helixtrans-59.1-44.1172.6-78.7172.6-179170.60111.9D327 V329 L333 L334 N335D327-K331 VanDerWaalsContact O-CB 3.28Å; D327-K331 WeakPolarHBondContact O-CB 3.3Å; D327-K331 VanDerWaalsContact O-CG 3.23Å; D327-K331 WeakPolarHBondContact O-CG 3.41Å; D327-K331 PolarHBondContact O-N 3.26Å; V329-K331 PolarHBondContact O-N 3Å; K331-L333 PolarHBondContact O-N 2.92Å; K331-L334 PolarHBondContact O-N 3.14Å; K331-N335 WeakPolarHBondContact O-CB 3.43Å; K331-N335 PolarHBondContact O-N 3.12Å; K331-N335 PolarHBondContact O-ND2 2.9Å; K331-N335 PolarHBondContact O-OD1 2.96Å
332L95.3Very high93.1Very high45 Ų4548.6 Ų48.624%0.23623%0.233CC..Hα-helixtrans-59.9-46.3176.2178.963.6000111.4K328 V329 V330 L334 N335 L336 A386 L389K328-L332 WeakPolarHBondContact O-CB 3.21Å; K328-L332 PolarHBondContact O-N 3.23Å; V329-L332 WeakPolarHBondContact O-CB 3.42Å; V329-L332 PolarHBondContact O-N 3.43Å; V330-L332 VanDerWaalsContact C-N 3.33Å; V330-L332 PolarHBondContact O-N 3.44Å; L332-L334 VanDerWaalsContact C-N 3.35Å; L332-L334 PolarHBondContact O-N 3.28Å; L332-N335 PolarHBondContact O-N 3.04Å; L332-L336 HydrophobicContact CD1-CD1 4.05Å; L332-L336 HydrophobicContact CD1-CG 4.35Å; L332-L336 HydrophobicContact CG-CD1 4.09Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.48Å; L332-L336 PolarHBondContact O-N 3.17Å; L332-A386 VanDerWaalsContact CD2-O 3.26Å; L332-A386 WeakPolarHBondContact CD2-O 3.37Å; L332-L389 HydrophobicContact CD2-CB 4.16Å
333L95Very high93.6Very high1 Ų146.4 Ų46.41%0.00522%0.222CC..Hα-helixtrans-62.7-40.5178.9-68.2161.7000112.5V329 V330 K331 L336 E337 V338 I341 I360 L389V329-L333 HydrophobicContact CG1-CD1 3.84Å; V329-L333 HydrophobicContact CG1-CG 4.43Å; V329-L333 WeakPolarHBondContact O-CD1 3.48Å; V329-L333 VanDerWaalsContact O-CG 3.26Å; V329-L333 WeakPolarHBondContact O-CG 3.24Å; V329-L333 PolarHBondContact O-N 3.38Å; V330-L333 PolarHBondContact O-N 3Å; K331-L333 PolarHBondContact O-N 2.92Å; L333-L336 CarbonylContact O-C 3.58Å; L333-L336 PolarHBondContact O-N 3.26Å; L333-E337 PolarHBondContact O-N 3.32Å; L333-E337 VanDerWaalsContact O-N 3.15Å; L333-V338 HydrophobicContact CD2-CB 4.11Å; L333-V338 HydrophobicContact CD2-CG1 4.09Å; L333-V338 HydrophobicContact CD2-CG2 4.41Å; L333-V338 PolarHBondContact O-N 2.93Å; L333-I341 HydrophobicContact CD1-CD1 3.43Å; L333-I341 VanDerWaalsContact CD1-CD1 3.43Å; L333-I341 HydrophobicContact CD2-CD1 3.61Å; L333-I341 HydrophobicContact CD2-CG1 4.14Å; L333-I341 HydrophobicContact CG-CD1 4.14Å; L333-I360 HydrophobicContact CB-CD1 3.95Å; L333-L389 HydrophobicContact CD2-CD1 3.74Å
334L94.9Very high93.9Very high65 Ų6545.6 Ų45.634%0.3422%0.223SC..Hα-helixtrans-65.1-43175.4-73171.6000111.9V330 K331 L332 L336 E337 H358 I360V330-L334 HydrophobicContact CG1-CD1 4.09Å; V330-L334 HydrophobicContact CG1-CG 4.48Å; V330-L334 WeakPolarHBondContact O-CB 3.34Å; V330-L334 VanDerWaalsContact O-CG 3.32Å; V330-L334 WeakPolarHBondContact O-CG 3.25Å; V330-L334 PolarHBondContact O-N 3.03Å; K331-L334 PolarHBondContact O-N 3.14Å; L332-L334 VanDerWaalsContact C-N 3.35Å; L332-L334 PolarHBondContact O-N 3.28Å; L334-L336 PolarHBondContact O-N 2.6Å; L334-E337 PolarHBondContact O-N 3.23Å; L334-H358 HydrophobicContact CD2-CB 4.19Å; L334-I360 HydrophobicContact CD2-CD1 4.24Å; L334-I360 HydrophobicContact CG-CD1 4.45Å
335N95.4Very high93.9Very high132 Ų13241.8 Ų41.871%0.70621%0.208SC*.Hα-helixtrans-62.6-33.3176.8-69.7-13.1000112.2K331 L332 E337K331-N335 WeakPolarHBondContact O-CB 3.43Å; K331-N335 PolarHBondContact O-N 3.12Å; K331-N335 PolarHBondContact O-ND2 2.9Å; K331-N335 PolarHBondContact O-OD1 2.96Å; L332-N335 PolarHBondContact O-N 3.04Å; N335-E337 VanDerWaalsContact C-N 3.26Å
336L94.9Very high93.8Very high26 Ų2643.8 Ų43.814%0.13622%0.222CC..THydrogen-bonded Turntrans-85.11.5176.2-65175.8000113.1L332 L333 L334 V338 L389 E391 V394L332-L336 HydrophobicContact CD1-CD1 4.05Å; L332-L336 HydrophobicContact CD1-CG 4.35Å; L332-L336 HydrophobicContact CG-CD1 4.09Å; L332-L336 VanDerWaalsContact O-CG 3.3Å; L332-L336 WeakPolarHBondContact O-CG 3.48Å; L332-L336 PolarHBondContact O-N 3.17Å; L333-L336 CarbonylContact O-C 3.58Å; L333-L336 PolarHBondContact O-N 3.26Å; L334-L336 PolarHBondContact O-N 2.6Å; L336-V338 HydrophobicContact CB-CG2 3.86Å; L336-V338 PolarHBondContact O-N 2.76Å; L336-V338 VanDerWaalsContact O-N 3.17Å; L336-L389 HydrophobicContact CD1-CB 3.66Å; L336-E391 HydrophobicContact CD2-CB 4.29Å; L336-V394 HydrophobicContact CB-CG2 4.15Å; L336-V394 HydrophobicContact CD1-CG2 4.22Å
337E94.1Very high93.8Very high122 Ų12244.4 Ų44.457%0.5723%0.226SC*.THydrogen-bonded Turntrans5528.4-177.3-59.5176.6171.600113.9K284 L333 L334 N335 K339K284-E337 WeakPolarHBondContact CB-O 3.3Å; K284-E337 HydrophobicContact CD-CB 3.83Å; K284-E337 IonicContact NZ-OE2 3.27Å; K284-E337 PolarHBondContact NZ-OE2 3.46Å; L333-E337 PolarHBondContact O-N 3.32Å; L333-E337 VanDerWaalsContact O-N 3.15Å; L334-E337 PolarHBondContact O-N 3.23Å; N335-E337 VanDerWaalsContact C-N 3.26Å; E337-K339 PolarHBondContact O-N 3.49Å
338V95Very high93.8Very high1 Ų142.1 Ų42.11%0.00622%0.215CC..  trans-72.3129.6-179.8175.80000109.8A286 L333 L336 L340 I341 V394A286-V338 HydrophobicContact CB-CG1 3.82Å; A286-V338 HydrophobicContact CB-CG2 4.23Å; L333-V338 HydrophobicContact CD2-CB 4.11Å; L333-V338 HydrophobicContact CD2-CG1 4.09Å; L333-V338 HydrophobicContact CD2-CG2 4.41Å; L333-V338 PolarHBondContact O-N 2.93Å; L336-V338 HydrophobicContact CB-CG2 3.86Å; L336-V338 PolarHBondContact O-N 2.76Å; L336-V338 VanDerWaalsContact O-N 3.17Å; V338-L340 VanDerWaalsContact CG1-O 3.24Å; V338-L340 WeakPolarHBondContact CG1-O 3.32Å; V338-I341 HydrophobicContact CG1-CG1 4.06Å; V338-V394 HydrophobicContact CG2-CG1 3.97Å; V338-V394 HydrophobicContact CG2-CG2 3.74Å
339K94.9Very high93.7Very high56 Ų5641.1 Ų41.124%0.24321%0.212CC..  trans-115.1-13.1177.6-67.2-65.1-176.9177.70113.7V278 L283 K284 E337 Q359 L361V278-K339 HydrophobicContact CG1-CB 4.49Å; L283-K339 HydrophobicContact CB-CB 4.31Å; L283-K339 HydrophobicContact CD2-CB 3.8Å; L283-K339 HydrophobicContact CD2-CG 4.4Å; L283-K339 HydrophobicContact CG-CB 4.45Å; K284-K339 PolarHBondContact O-N 2.91Å; E337-K339 PolarHBondContact O-N 3.49Å; K339-Q359 WeakPolarHBondContact CD-O 3.34Å; K339-L361 PolarHBondContact O-N 3.44Å
340L95.3Very high93.6Very high0 Ų044 Ų440%022%0.224CC..EExtended strand (participates in β ladder)trans-133132.5175.9178.964.5000111L283 K284 V285 A286 V338 L342 L361 V363 V398 V400 I419L283-L340 HydrophobicContact CD1-CB 4.28Å; K284-L340 PolarHBondContact O-N 3.49Å; V285-L340 CarbonylContact C-O 3.4Å; V285-L340 VanDerWaalsContact CA-O 3.31Å; V285-L340 WeakPolarHBondContact CA-O 3.26Å; V285-L340 HydrophobicContact CB-CB 4.39Å; V285-L340 HydrophobicContact CB-CD2 4.41Å; V285-L340 HydrophobicContact CG2-CB 4.22Å; V285-L340 HydrophobicContact CG2-CD2 3.91Å; V285-L340 HydrophobicContact CG2-CG 3.97Å; A286-L340 PolarHBondContact N-O 3.27Å; V338-L340 VanDerWaalsContact CG1-O 3.24Å; V338-L340 WeakPolarHBondContact CG1-O 3.32Å; L340-L342 HydrophobicContact CD1-CD2 3.94Å; L340-L342 HydrophobicContact CD2-CD2 4.21Å; L340-L342 HydrophobicContact CD2-CG 4.32Å; L340-L342 HydrophobicContact CG-CD2 4.07Å; L340-L342 HydrophobicContact CG-CG 4.24Å; L340-L361 CarbonylContact C-O 3.39Å; L340-L361 WeakPolarHBondContact CA-O 3.35Å; L340-L361 HydrophobicContact CD1-CB 4.01Å; L340-L361 HydrophobicContact CD1-CD2 3.82Å; L340-L361 HydrophobicContact CD1-CG 3.8Å; L340-V363 HydrophobicContact CD1-CG2 4.28Å; L340-V398 HydrophobicContact CD2-CB 4.22Å; L340-V398 HydrophobicContact CD2-CG1 3.54Å; L340-V400 HydrophobicContact CD2-CG2 4.17Å; L340-I419 HydrophobicContact CD1-CD1 4.42Å; L340-I419 HydrophobicContact CD2-CD1 4.49Å; L340-I419 HydrophobicContact CD2-CG2 4.15Å
341I95.8Very high93.5Very high0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-121.1123172.5-53178.3000108.4A286 I288 L292 L333 V338 I360 L361 V362 V363A286-I341 WeakPolarHBondContact O-CA 3.4Å; I288-I341 HydrophobicContact CD1-CG2 3.83Å; I288-I341 HydrophobicContact CG1-CG2 4.29Å; L292-I341 HydrophobicContact CD2-CD1 4.46Å; L292-I341 HydrophobicContact CD2-CG2 4.46Å; L333-I341 HydrophobicContact CD1-CD1 3.43Å; L333-I341 VanDerWaalsContact CD1-CD1 3.43Å; L333-I341 HydrophobicContact CD2-CD1 3.61Å; L333-I341 HydrophobicContact CD2-CG1 4.14Å; L333-I341 HydrophobicContact CG-CD1 4.14Å; V338-I341 HydrophobicContact CG1-CG1 4.06Å; I341-I360 HydrophobicContact CD1-CG2 3.91Å; I341-I360 HydrophobicContact CG1-CG2 3.93Å; I341-L361 PolarHBondContact N-O 3.49Å; I341-V362 HydrophobicContact CB-CG1 4.21Å; I341-V362 HydrophobicContact CB-CG2 4.35Å; I341-V362 HydrophobicContact CD1-CG2 4.04Å; I341-V362 HydrophobicContact CG1-CG2 4.47Å; I341-V362 HydrophobicContact CG2-CG1 4.39Å; I341-V363 PolarHBondContact O-N 2.83Å
342L95.3Very high93.3Very high1 Ų137.6 Ų37.61%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-109.7120.3172-55.8-179.6000108.4V285 A286 L287 I288 L340 V363 V366 L371 I374 I419V285-L342 HydrophobicContact CG2-CD1 4.23Å; V285-L342 HydrophobicContact CG2-CG 4.15Å; A286-L342 PolarHBondContact O-N 2.89Å; L287-L342 HydrophobicContact CD2-CB 3.94Å; L287-L342 HydrophobicContact CD2-CD1 3.95Å; L287-L342 HydrophobicContact CD2-CG 4.29Å; I288-L342 PolarHBondContact N-O 2.86Å; L340-L342 HydrophobicContact CD1-CD2 3.94Å; L340-L342 HydrophobicContact CD2-CD2 4.21Å; L340-L342 HydrophobicContact CD2-CG 4.32Å; L340-L342 HydrophobicContact CG-CD2 4.07Å; L340-L342 HydrophobicContact CG-CG 4.24Å; L342-V363 HydrophobicContact CD2-CB 3.92Å; L342-V363 HydrophobicContact CD2-CG2 4.08Å; L342-V366 HydrophobicContact CB-CG2 4.31Å; L342-V366 HydrophobicContact CD2-CG2 4.37Å; L342-L371 HydrophobicContact CB-CD2 3.48Å; L342-L371 VanDerWaalsContact CB-CD2 3.48Å; L342-L371 HydrophobicContact CD1-CD2 4.49Å; L342-I374 HydrophobicContact CD1-CD1 3.38Å; L342-I374 HydrophobicContact CD1-CG2 4.29Å; L342-I419 HydrophobicContact CD2-CD1 3.73Å
343T94.1Very high93.1Very high0 Ų039.2 Ų39.20%020%0.203CC..EExtended strand (participates in β ladder)trans-119.3139.7175.7-177.10000113.2I288 G290 G345 V347 V363 E364 K365 V366I288-T343 CarbonylContact O-C 3.54Å; I288-T343 WeakPolarHBondContact O-CA 3.44Å; I288-T343 PolarHBondContact O-OG1 3Å; G290-T343 PolarHBondContact O-OG1 3.14Å; T343-G345 VanDerWaalsContact C-N 3.31Å; T343-G345 PolarHBondContact OG1-N 3.32Å; T343-V347 HydrophobicContact CG2-CG2 3.39Å; T343-V363 PolarHBondContact N-O 3.13Å; T343-E364 HydrophobicContact CG2-CB 4.06Å; T343-E364 CarbonylContact O-C 3.48Å; T343-K365 PolarHBondContact O-N 3.19Å; T343-K365 VanDerWaalsContact O-N 3.1Å; T343-V366 WeakPolarHBondContact O-CB 3.28Å; T343-V366 PolarHBondContact O-N 3.17Å
344A91.8Very high93Very high38 Ų3841.3 Ų41.331%0.31421%0.213SC..SBendtrans-75.3-23.3168.700000112.8I288 V366 L371I288-A344 PolarHBondContact O-N 3.02Å; A344-V366 WeakPolarHBondContact CA-O 3.46Å; A344-L371 HydrophobicContact CB-CD1 3.72Å
345G89.5Confident92.9Very high9 Ų938.2 Ų38.29%0.09320%0.196CC..SBendtrans-87.4-168.6179.100000113.8D291 T343 K365D291-G345 WeakPolarHBondContact OD1-CA 3.5Å; T343-G345 VanDerWaalsContact C-N 3.31Å; T343-G345 PolarHBondContact OG1-N 3.32Å; G345-K365 PolarHBondContact O-N 3.33Å; G345-K365 VanDerWaalsContact O-N 3.07Å
346L91Very high92.7Very high90 Ų9033 Ų3347%0.47117%0.17SC..  trans-87.6154.6170.9-62.7178.2000111.2D291 L292 K365D291-L346 CarbonylContact C-O 3.54Å; D291-L346 VanDerWaalsContact CA-O 3.26Å; D291-L346 WeakPolarHBondContact CA-O 3.36Å; D291-L346 WeakPolarHBondContact CB-O 3.37Å; D291-L346 PolarHBondContact OD1-N 2.77Å; L292-L346 PolarHBondContact N-O 2.88Å; L346-K365 HydrophobicContact CD2-CD 4.21Å; L346-K365 HydrophobicContact CD2-CG 4.03Å
347V91.6Very high92.5Very high14 Ų1440 Ų409%0.08520%0.195CC..BIsolated β-bridgetrans-117.6136.7175.6-174.90000109.5L292 T343 V351 I352 V362 E364L292-V347 HydrophobicContact CB-CB 4.33Å; L292-V347 HydrophobicContact CB-CG1 4.05Å; L292-V347 HydrophobicContact CB-CG2 3.97Å; L292-V347 HydrophobicContact CD2-CG1 4Å; L292-V347 HydrophobicContact CD2-CG2 4.43Å; L292-V347 HydrophobicContact CG-CG1 4.29Å; T343-V347 HydrophobicContact CG2-CG2 3.39Å; V347-V351 HydrophobicContact CG1-CB 3.88Å; V347-V351 HydrophobicContact CG1-CG1 3.93Å; V347-I352 HydrophobicContact CB-CD1 4.17Å; V347-I352 HydrophobicContact CB-CG1 3.97Å; V347-I352 HydrophobicContact CG1-CD1 4.25Å; V347-I352 HydrophobicContact CG1-CG1 3.51Å; V347-V362 HydrophobicContact CB-CG1 4.45Å; V347-V362 HydrophobicContact CG1-CG1 4.07Å; V347-V362 HydrophobicContact CG2-CG1 3.71Å; V347-E364 HydrophobicContact CB-CB 4.49Å; V347-E364 HydrophobicContact CG2-CB 3.76Å; V347-E364 PolarHBondContact N-OE2 3.26Å; V347-E364 VanDerWaalsContact N-OE2 3.11Å
348S91.4Very high92.4Very high21 Ų2138 Ų3815%0.14719%0.185CC..  trans-69.6142.9174.378.90000111.4L292 K350 V351 I352L292-S348 PolarHBondContact O-N 3.4Å; S348-K350 PolarHBondContact O-N 3.16Å; S348-K350 VanDerWaalsContact O-N 3.17Å; S348-V351 WeakPolarHBondContact O-CB 3.17Å; S348-V351 PolarHBondContact O-N 2.75Å; S348-V351 VanDerWaalsContact OG-CG2 3.28Å; S348-V351 WeakPolarHBondContact OG-CG2 3.37Å; S348-I352 PolarHBondContact O-N 2.84Å; S348-I352 VanDerWaalsContact O-N 3.11Å
349Q90.6Very high92.2Very high103 Ų10342.5 Ų42.548%0.48121%0.206SC..Hα-helixtrans-56.2-36.9-178-166.870.13.200112.3V351 I352 Q353Q349-V351 VanDerWaalsContact C-N 3.35Å; Q349-V351 PolarHBondContact O-N 2.99Å; Q349-I352 PolarHBondContact O-N 3Å; Q349-Q353 WeakPolarHBondContact O-CG 3.25Å; Q349-Q353 PolarHBondContact O-N 2.78Å
350K90.4Very high92.2Very high61 Ų6139.9 Ų39.927%0.26519%0.194SC..Hα-helixtrans-60.1-42.7175.8-71.4-174.9175.6-176.70112.1S319 E322 D323 S348 Q353 H354S319-K350 PolarHBondContact OG-NZ 2.96Å; E322-K350 HydrophobicContact CG-CD 4.49Å; E322-K350 WeakPolarHBondContact OE2-CD 3.34Å; E322-K350 WeakPolarHBondContact OE2-CE 3.4Å; E322-K350 IonicContact OE2-NZ 2.82Å; E322-K350 PolarHBondContact OE2-NZ 3.17Å; D323-K350 IonicContact OD1-NZ 2.91Å; D323-K350 PolarHBondContact OD1-NZ 3.11Å; D323-K350 IonicContact OD2-NZ 2.79Å; S348-K350 PolarHBondContact O-N 3.16Å; S348-K350 VanDerWaalsContact O-N 3.17Å; K350-Q353 PolarHBondContact O-N 3.07Å; K350-H354 PolarHBondContact O-CD2 2.71Å; K350-H354 PolarHBondContact O-N 2.86Å
351V92Very high92.2Very high0 Ų039.9 Ų39.90%019%0.194CC..Hα-helixtrans-66.1-45.5177.1176.20000110.7L292 W325 V326 V347 S348 Q349 Q353 H354 C355L292-V351 HydrophobicContact CD2-CG1 3.53Å; L292-V351 HydrophobicContact CG-CG1 3.86Å; W325-V351 HydrophobicContact CZ3-CG2 3.79Å; V326-V351 HydrophobicContact CG1-CG2 4.34Å; V326-V351 HydrophobicContact CG2-CG2 3.76Å; V347-V351 HydrophobicContact CG1-CB 3.88Å; V347-V351 HydrophobicContact CG1-CG1 3.93Å; S348-V351 WeakPolarHBondContact O-CB 3.17Å; S348-V351 PolarHBondContact O-N 2.75Å; S348-V351 VanDerWaalsContact OG-CG2 3.28Å; S348-V351 WeakPolarHBondContact OG-CG2 3.37Å; Q349-V351 VanDerWaalsContact C-N 3.35Å; Q349-V351 PolarHBondContact O-N 2.99Å; V351-Q353 VanDerWaalsContact C-N 3.3Å; V351-Q353 PolarHBondContact O-N 2.89Å; V351-H354 PolarHBondContact O-N 3.28Å; V351-C355 VanDerWaalsContact O-CB 3.3Å; V351-C355 WeakPolarHBondContact O-CB 3.3Å; V351-C355 PolarHBondContact O-N 3.1Å; V351-C355 PolarHBondContact O-SG 3.16Å; V351-C355 VanDerWaalsContact O-SG 3.37Å
352I91.4Very high92.1Very high5 Ų539.9 Ų39.93%0.02619%0.194CC..Hα-helixtrans-55-49.5176.6-61.6178.5000109.9Q271 V347 S348 Q349 C355 C356Q271-I352 HydrophobicContact CG-CG2 4.01Å; V347-I352 HydrophobicContact CB-CD1 4.17Å; V347-I352 HydrophobicContact CB-CG1 3.97Å; V347-I352 HydrophobicContact CG1-CD1 4.25Å; V347-I352 HydrophobicContact CG1-CG1 3.51Å; S348-I352 PolarHBondContact O-N 2.84Å; S348-I352 VanDerWaalsContact O-N 3.11Å; Q349-I352 PolarHBondContact O-N 3Å; I352-C355 PolarHBondContact O-N 3.07Å; I352-C356 WeakPolarHBondContact O-CB 3.39Å; I352-C356 PolarHBondContact O-N 2.95Å; I352-C356 PolarHBondContact O-SG 3.26Å
353Q90.9Very high92Very high78 Ų7840.1 Ų40.136%0.36420%0.196SC..Hα-helixtrans-61.6-46.9-179.4-72.8176-4.200112.6Q349 K350 V351 C356 R357Q349-Q353 WeakPolarHBondContact O-CG 3.25Å; Q349-Q353 PolarHBondContact O-N 2.78Å; K350-Q353 PolarHBondContact O-N 3.07Å; V351-Q353 VanDerWaalsContact C-N 3.3Å; V351-Q353 PolarHBondContact O-N 2.89Å; Q353-C356 PolarHBondContact O-N 3.42Å; Q353-R357 WeakPolarHBondContact O-CG 3.48Å; Q353-R357 PolarHBondContact O-N 3.23Å; Q353-R357 VanDerWaalsContact O-N 3.1Å
354H92.8Very high91.8Very high46 Ų4643 Ų4321%0.21321%0.21CC..Hα-helixtrans-65.2-45.3178.2-87.3-112.9000111.9V326 D327 V330 K350 V351 C356 R357 H358V326-H354 HydrophobicContact CG1-CB 3.84Å; D327-H354 IonicContact OD1-CE1 2.7Å; D327-H354 IonicContact OD1-ND1 3.71Å; V330-H354 HydrophobicContact CG2-CB 3.96Å; K350-H354 PolarHBondContact O-CD2 2.71Å; K350-H354 PolarHBondContact O-N 2.86Å; V351-H354 PolarHBondContact O-N 3.28Å; H354-C356 PolarHBondContact O-N 2.85Å; H354-R357 PolarHBondContact O-N 3.31Å; H354-H358 PolarHBondContact O-CD2 3.3Å; H354-H358 VanDerWaalsContact O-CD2 3.22Å; H354-H358 PolarHBondContact O-N 3.43Å
355C93.6Very high91.7Very high0 Ų048 Ų480%022%0.224CC..Hα-helixtrans-60-44.8176.3-73.60000111.9V351 I352 R357 H358 Q359 I360 V362V351-C355 VanDerWaalsContact O-CB 3.3Å; V351-C355 WeakPolarHBondContact O-CB 3.3Å; V351-C355 PolarHBondContact O-N 3.1Å; V351-C355 PolarHBondContact O-SG 3.16Å; V351-C355 VanDerWaalsContact O-SG 3.37Å; I352-C355 PolarHBondContact O-N 3.07Å; C355-R357 VanDerWaalsContact C-N 3.35Å; C355-R357 PolarHBondContact O-N 3.32Å; C355-H358 CarbonylContact O-C 3.55Å; C355-H358 WeakPolarHBondContact O-CA 3.5Å; C355-H358 PolarHBondContact O-N 2.83Å; C355-Q359 PolarHBondContact O-N 3.49Å; C355-I360 CarbonylContact C-O 2.86Å; C355-I360 HydrophobicContact CB-CB 4Å; C355-I360 HydrophobicContact CB-CG2 4.35Å; C355-I360 WeakPolarHBondContact O-CB 3.33Å; C355-I360 PolarHBondContact O-N 3.13Å; C355-V362 HydrophobicContact CB-CG2 3.42Å; C355-V362 VanDerWaalsContact CB-CG2 3.42Å
356C90.7Very high91.7Very high22 Ų2247.8 Ų47.815%0.14922%0.221CC..Hα-helixtrans-63.4-38.1179.3-67.50000112.3A274 I352 Q353 H354 H358 Q359A274-C356 HydrophobicContact CB-CB 4.34Å; I352-C356 WeakPolarHBondContact O-CB 3.39Å; I352-C356 PolarHBondContact O-N 2.95Å; I352-C356 PolarHBondContact O-SG 3.26Å; Q353-C356 PolarHBondContact O-N 3.42Å; H354-C356 PolarHBondContact O-N 2.85Å; C356-H358 PolarHBondContact O-N 2.92Å; C356-Q359 PolarHBondContact O-N 3.15Å
357R91.5Very high91.6Very high174 Ų17447.8 Ų47.866%0.65722%0.222SC*.Hα-helixtrans-58.9-33.5173-73.7172.1-177.31632.2112.7Q353 H354 C355 Q359Q353-R357 WeakPolarHBondContact O-CG 3.48Å; Q353-R357 PolarHBondContact O-N 3.23Å; Q353-R357 VanDerWaalsContact O-N 3.1Å; H354-R357 PolarHBondContact O-N 3.31Å; C355-R357 VanDerWaalsContact C-N 3.35Å; C355-R357 PolarHBondContact O-N 3.32Å; R357-Q359 VanDerWaalsContact C-N 3.32Å
358H91.4Very high91.4Very high80 Ų8050.2 Ų50.237%0.3724%0.239SC..THydrogen-bonded Turntrans-91.712.4177.4-72-70.6000113.8V330 L334 H354 C355 C356 I360V330-H358 VanDerWaalsContact CG1-CD2 3.42Å; V330-H358 WeakPolarHBondContact CG1-CD2 3.38Å; L334-H358 HydrophobicContact CD2-CB 4.19Å; H354-H358 PolarHBondContact O-CD2 3.3Å; H354-H358 VanDerWaalsContact O-CD2 3.22Å; H354-H358 PolarHBondContact O-N 3.43Å; C355-H358 CarbonylContact O-C 3.55Å; C355-H358 WeakPolarHBondContact O-CA 3.5Å; C355-H358 PolarHBondContact O-N 2.83Å; C356-H358 PolarHBondContact O-N 2.92Å; H358-I360 VanDerWaalsContact C-N 3.27Å; H358-I360 HydrophobicContact CB-CD1 4.27Å; H358-I360 HydrophobicContact CB-CG1 4.3Å; H358-I360 PolarHBondContact O-N 3.48Å
359Q91.3Very high91.2Very high95 Ų9550.2 Ų50.244%0.44424%0.239SC..THydrogen-bonded Turntrans58.937.7-179.7-49.8170.2-20.100112.5V277 V278 K339 C355 C356 R357V277-Q359 HydrophobicContact CG1-CB 4.03Å; V277-Q359 HydrophobicContact CG1-CG 3.82Å; V278-Q359 VanDerWaalsContact CG1-O 3.28Å; V278-Q359 WeakPolarHBondContact CG1-O 3.3Å; K339-Q359 WeakPolarHBondContact CD-O 3.34Å; C355-Q359 PolarHBondContact O-N 3.49Å; C356-Q359 PolarHBondContact O-N 3.15Å; R357-Q359 VanDerWaalsContact C-N 3.32Å
360I94.1Very high91.1Very high0 Ų045.4 Ų45.40%022%0.217CC..  trans-106.5116.6173.5-55.4175.7000107.1L333 L334 I341 C355 H358L333-I360 HydrophobicContact CB-CD1 3.95Å; L334-I360 HydrophobicContact CD2-CD1 4.24Å; L334-I360 HydrophobicContact CG-CD1 4.45Å; I341-I360 HydrophobicContact CD1-CG2 3.91Å; I341-I360 HydrophobicContact CG1-CG2 3.93Å; C355-I360 CarbonylContact C-O 2.86Å; C355-I360 HydrophobicContact CB-CB 4Å; C355-I360 HydrophobicContact CB-CG2 4.35Å; C355-I360 WeakPolarHBondContact O-CB 3.33Å; C355-I360 PolarHBondContact O-N 3.13Å; H358-I360 VanDerWaalsContact C-N 3.27Å; H358-I360 HydrophobicContact CB-CD1 4.27Å; H358-I360 HydrophobicContact CB-CG1 4.3Å; H358-I360 PolarHBondContact O-N 3.48Å
361L94.6Very high91.1Very high0 Ų042.7 Ų42.70%021%0.205CC..EExtended strand (participates in β ladder)trans-78.5124.9175.9176.357.6000109.4L267 Q271 A275 V278 K339 L340 I341 V363 V400L267-L361 HydrophobicContact CD1-CD1 3.84Å; L267-L361 HydrophobicContact CD1-CD2 4.35Å; Q271-L361 HydrophobicContact CB-CD1 4.11Å; Q271-L361 WeakPolarHBondContact O-CD1 3.21Å; A275-L361 HydrophobicContact CB-CD1 4.39Å; A275-L361 HydrophobicContact CB-CD2 4.03Å; V278-L361 HydrophobicContact CG2-CB 4.27Å; V278-L361 HydrophobicContact CG2-CD2 4.44Å; K339-L361 PolarHBondContact O-N 3.44Å; L340-L361 CarbonylContact C-O 3.39Å; L340-L361 WeakPolarHBondContact CA-O 3.35Å; L340-L361 HydrophobicContact CD1-CB 4.01Å; L340-L361 HydrophobicContact CD1-CD2 3.82Å; L340-L361 HydrophobicContact CD1-CG 3.8Å; I341-L361 PolarHBondContact N-O 3.49Å; L361-V363 HydrophobicContact CD1-CG2 4.29Å; L361-V363 HydrophobicContact CD2-CG2 4.38Å; L361-V363 HydrophobicContact CG-CG2 4.04Å; L361-V400 HydrophobicContact CD2-CG1 3.96Å; L361-V400 HydrophobicContact CD2-CG2 4.39Å
362V94Very high91Very high0 Ų049.3 Ų49.30%023%0.234CC..EExtended strand (participates in β ladder)trans-114.9127.2175.9-1710000109Q271 L292 I341 V347 C355Q271-V362 PolarHBondContact NE2-O 3.17Å; L292-V362 HydrophobicContact CD2-CG1 4.21Å; I341-V362 HydrophobicContact CB-CG1 4.21Å; I341-V362 HydrophobicContact CB-CG2 4.35Å; I341-V362 HydrophobicContact CD1-CG2 4.04Å; I341-V362 HydrophobicContact CG1-CG2 4.47Å; I341-V362 HydrophobicContact CG2-CG1 4.39Å; V347-V362 HydrophobicContact CB-CG1 4.45Å; V347-V362 HydrophobicContact CG1-CG1 4.07Å; V347-V362 HydrophobicContact CG2-CG1 3.71Å; C355-V362 HydrophobicContact CB-CG2 3.42Å; C355-V362 VanDerWaalsContact CB-CG2 3.42Å
363V92.5Very high90.9Very high6 Ų650 Ų504%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-123.1123.7178-166.40000109.9L265 L267 L340 I341 L342 T343 L361 V366 I419L265-V363 HydrophobicContact CB-CG1 4.3Å; L265-V363 HydrophobicContact CD1-CB 4.45Å; L265-V363 HydrophobicContact CD1-CG1 3.53Å; L265-V363 HydrophobicContact CG-CG1 4.43Å; L267-V363 HydrophobicContact CD2-CG1 4.17Å; L267-V363 HydrophobicContact CD2-CG2 3.99Å; L340-V363 HydrophobicContact CD1-CG2 4.28Å; I341-V363 PolarHBondContact O-N 2.83Å; L342-V363 HydrophobicContact CD2-CB 3.92Å; L342-V363 HydrophobicContact CD2-CG2 4.08Å; T343-V363 PolarHBondContact N-O 3.13Å; L361-V363 HydrophobicContact CD1-CG2 4.29Å; L361-V363 HydrophobicContact CD2-CG2 4.38Å; L361-V363 HydrophobicContact CG-CG2 4.04Å; V363-V366 HydrophobicContact CB-CG2 4.32Å; V363-V366 HydrophobicContact CG1-CG2 4.05Å; V363-I419 HydrophobicContact CG2-CD1 4.26Å
364E91.6Very high90.9Very high61 Ų6146.5 Ų46.529%0.28522%0.222SC..  trans-99.3165.9-176.966.7175.4169.900113.2T343 V347 V366T343-E364 HydrophobicContact CG2-CB 4.06Å; T343-E364 CarbonylContact O-C 3.48Å; V347-E364 HydrophobicContact CB-CB 4.49Å; V347-E364 HydrophobicContact CG2-CB 3.76Å; V347-E364 PolarHBondContact N-OE2 3.26Å; V347-E364 VanDerWaalsContact N-OE2 3.11Å; E364-V366 PolarHBondContact O-N 3.4Å
365K89.4Confident90.8Very high143 Ų14344.7 Ų44.762%0.62222%0.216SC*.SBendtrans56.231.4177.3-57.7175.5-179170.60114.8T343 G345 L346T343-K365 PolarHBondContact O-N 3.19Å; T343-K365 VanDerWaalsContact O-N 3.1Å; G345-K365 PolarHBondContact O-N 3.33Å; G345-K365 VanDerWaalsContact O-N 3.07Å; L346-K365 HydrophobicContact CD2-CD 4.21Å; L346-K365 HydrophobicContact CD2-CG 4.03Å
366V89.9Confident90.6Very high5 Ų549.7 Ų49.73%0.0325%0.251CS..  trans-72.6133177.5-178.20000109.9L265 L342 T343 A344 V363 E364 S368 V370 L371L265-V366 HydrophobicContact CD1-CG2 4.28Å; L342-V366 HydrophobicContact CB-CG2 4.31Å; L342-V366 HydrophobicContact CD2-CG2 4.37Å; T343-V366 WeakPolarHBondContact O-CB 3.28Å; T343-V366 PolarHBondContact O-N 3.17Å; A344-V366 WeakPolarHBondContact CA-O 3.46Å; V363-V366 HydrophobicContact CB-CG2 4.32Å; V363-V366 HydrophobicContact CG1-CG2 4.05Å; E364-V366 PolarHBondContact O-N 3.4Å; V366-S368 PolarHBondContact O-N 3.45Å; V366-V370 HydrophobicContact CG1-CB 3.73Å; V366-V370 HydrophobicContact CG1-CG1 3.66Å; V366-L371 HydrophobicContact CB-CD2 4.18Å; V366-L371 HydrophobicContact CB-CG 4.47Å; V366-L371 HydrophobicContact CG1-CD2 3.89Å; V366-L371 HydrophobicContact CG1-CG 4.11Å
367N87.4Confident90.4Very high90 Ų9050.4 Ų50.448%0.48126%0.256SS..  trans-61.3138.6178.9-171.3-25.1000111S369 V370 L371N367-S369 PolarHBondContact O-N 3.1Å; N367-S369 VanDerWaalsContact O-N 3.13Å; N367-S369 PolarHBondContact OD1-N 2.9Å; N367-S369 VanDerWaalsContact OD1-N 3.1Å; N367-S369 PolarHBondContact OD1-OG 3.48Å; N367-V370 HydrophobicContact CB-CG2 4.18Å; N367-V370 WeakPolarHBondContact O-CA 3.28Å; N367-V370 WeakPolarHBondContact O-CB 3.23Å; N367-V370 PolarHBondContact O-N 3.26Å; N367-L371 PolarHBondContact O-N 3.47Å; N367-L371 VanDerWaalsContact O-N 3.13Å
368S87.3Confident90.4Very high65 Ų6543 Ų4346%0.45523%0.231SC..Hα-helixtrans-53.2-31.2175.669.70000114.2V366 K372V366-S368 PolarHBondContact O-N 3.45Å; S368-K372 VanDerWaalsContact O-CG 3.26Å; S368-K372 WeakPolarHBondContact O-CG 3.43Å; S368-K372 PolarHBondContact O-N 2.88Å
369S87Confident90.3Very high20 Ų2041.6 Ų41.614%0.1424%0.238CC..Hα-helixtrans-65.6-40174.859.70000111.7S242 N367 K372 T373S242-S369 WeakPolarHBondContact O-CB 3.43Å; S242-S369 PolarHBondContact O-OG 3.42Å; N367-S369 PolarHBondContact O-N 3.1Å; N367-S369 VanDerWaalsContact O-N 3.13Å; N367-S369 PolarHBondContact OD1-N 2.9Å; N367-S369 VanDerWaalsContact OD1-N 3.1Å; N367-S369 PolarHBondContact OD1-OG 3.48Å; S369-K372 PolarHBondContact O-N 3.18Å; S369-T373 WeakPolarHBondContact O-CB 3.31Å; S369-T373 PolarHBondContact O-N 3.13Å; S369-T373 PolarHBondContact O-OG1 3.04Å; S369-T373 VanDerWaalsContact O-OG1 3.04Å
370V89Confident90.4Very high3 Ų337.3 Ų37.32%0.01822%0.218CC..Hα-helixtrans-64.7-46.7176.1178.50000110.7L245 C263 V366 N367 K372 T373 I374 L427L245-V370 HydrophobicContact CD1-CG2 3.46Å; L245-V370 VanDerWaalsContact CD1-CG2 3.46Å; L245-V370 HydrophobicContact CD2-CG2 3.44Å; L245-V370 VanDerWaalsContact CD2-CG2 3.44Å; L245-V370 HydrophobicContact CG-CG2 4.06Å; C263-V370 HydrophobicContact CB-CG1 4.33Å; V366-V370 HydrophobicContact CG1-CB 3.73Å; V366-V370 HydrophobicContact CG1-CG1 3.66Å; N367-V370 HydrophobicContact CB-CG2 4.18Å; N367-V370 WeakPolarHBondContact O-CA 3.28Å; N367-V370 WeakPolarHBondContact O-CB 3.23Å; N367-V370 PolarHBondContact O-N 3.26Å; V370-K372 VanDerWaalsContact C-N 3.31Å; V370-K372 PolarHBondContact O-N 3.38Å; V370-T373 PolarHBondContact O-N 3.21Å; V370-I374 HydrophobicContact CG1-CD1 3.62Å; V370-I374 HydrophobicContact CG1-CG1 4.27Å; V370-I374 WeakPolarHBondContact O-CB 3.42Å; V370-I374 WeakPolarHBondContact O-CG1 3.22Å; V370-I374 PolarHBondContact O-N 3.24Å; V370-L427 HydrophobicContact CG1-CD1 4.07Å
371L91.4Very high90.5Very high4 Ų441.7 Ų41.72%0.02124%0.241CC..Hα-helixtrans-58.4-44176.4-64-178.9000111.6L287 L342 A344 V366 N367 G375L287-L371 VanDerWaalsContact CD1-O 3.32Å; L287-L371 WeakPolarHBondContact CD1-O 3.39Å; L287-L371 HydrophobicContact CD2-CD2 3.9Å; L342-L371 HydrophobicContact CB-CD2 3.48Å; L342-L371 VanDerWaalsContact CB-CD2 3.48Å; L342-L371 HydrophobicContact CD1-CD2 4.49Å; A344-L371 HydrophobicContact CB-CD1 3.72Å; V366-L371 HydrophobicContact CB-CD2 4.18Å; V366-L371 HydrophobicContact CB-CG 4.47Å; V366-L371 HydrophobicContact CG1-CD2 3.89Å; V366-L371 HydrophobicContact CG1-CG 4.11Å; N367-L371 PolarHBondContact O-N 3.47Å; N367-L371 VanDerWaalsContact O-N 3.13Å; L371-G375 PolarHBondContact O-N 3.22Å
372K89.8Confident90.4Very high138 Ų13844.3 Ų44.360%0.626%0.258SS*.Hα-helixtrans-64.1-44.2177.8-73.6171.8-175.8178.90112.2S368 S369 V370 G375 S376S368-K372 VanDerWaalsContact O-CG 3.26Å; S368-K372 WeakPolarHBondContact O-CG 3.43Å; S368-K372 PolarHBondContact O-N 2.88Å; S369-K372 PolarHBondContact O-N 3.18Å; V370-K372 VanDerWaalsContact C-N 3.31Å; V370-K372 PolarHBondContact O-N 3.38Å; K372-G375 PolarHBondContact O-N 2.66Å; K372-S376 WeakPolarHBondContact O-CB 3.21Å; K372-S376 PolarHBondContact O-N 3.23Å; K372-S376 PolarHBondContact O-OG 3.43Å
373T88.4Confident90.4Very high21 Ų2144.9 Ų44.913%0.12926%0.261CS..Hα-helixtrans-66.8-48-179.5-61.60000110.8S369 V370 G375 S376 S377 S425 L427S369-T373 WeakPolarHBondContact O-CB 3.31Å; S369-T373 PolarHBondContact O-N 3.13Å; S369-T373 PolarHBondContact O-OG1 3.04Å; S369-T373 VanDerWaalsContact O-OG1 3.04Å; V370-T373 PolarHBondContact O-N 3.21Å; T373-G375 PolarHBondContact O-N 2.88Å; T373-S376 PolarHBondContact O-N 3.38Å; T373-S377 WeakPolarHBondContact O-CB 3.23Å; T373-S377 PolarHBondContact O-N 3.11Å; T373-S377 PolarHBondContact O-OG 3.36Å; T373-S425 WeakPolarHBondContact CG2-O 3.38Å; T373-L427 HydrophobicContact CG2-CD1 4.07Å; T373-L427 HydrophobicContact CG2-CD2 3.77Å; T373-L427 HydrophobicContact CG2-CG 3.64Å
374I90.3Very high90.3Very high4 Ų448.2 Ų48.22%0.02128%0.279CS..Hα-helixtrans-60.9-45.8176.2-67175.6000110.2V285 L287 L342 V370 S376 S377 T378 V398 I419 L427V285-I374 HydrophobicContact CG1-CG2 4.47Å; L287-I374 HydrophobicContact CD2-CG2 4.24Å; L342-I374 HydrophobicContact CD1-CD1 3.38Å; L342-I374 HydrophobicContact CD1-CG2 4.29Å; V370-I374 HydrophobicContact CG1-CD1 3.62Å; V370-I374 HydrophobicContact CG1-CG1 4.27Å; V370-I374 WeakPolarHBondContact O-CB 3.42Å; V370-I374 WeakPolarHBondContact O-CG1 3.22Å; V370-I374 PolarHBondContact O-N 3.24Å; I374-S376 VanDerWaalsContact C-N 3.31Å; I374-S376 PolarHBondContact O-N 3.47Å; I374-S377 PolarHBondContact O-N 2.99Å; I374-S377 VanDerWaalsContact O-N 3.1Å; I374-T378 HydrophobicContact CG2-CG2 3.92Å; I374-T378 WeakPolarHBondContact O-CB 3.42Å; I374-T378 VanDerWaalsContact O-CG2 3.29Å; I374-T378 WeakPolarHBondContact O-CG2 3.44Å; I374-T378 PolarHBondContact O-N 3.04Å; I374-T378 PolarHBondContact O-OG1 3.03Å; I374-V398 HydrophobicContact CG2-CG2 4.13Å; I374-I419 HydrophobicContact CD1-CG2 4.23Å; I374-L427 HydrophobicContact CG1-CD1 4.18Å
375G91.2Very high90.3Very high8 Ų847.9 Ų47.98%0.08228%0.275CS..Hα-helixtrans-59.1-40176.800000113.3L287 L371 K372 T373 S377 G379 A380L287-G375 VanDerWaalsContact CD1-CA 3.46Å; L371-G375 PolarHBondContact O-N 3.22Å; K372-G375 PolarHBondContact O-N 2.66Å; T373-G375 PolarHBondContact O-N 2.88Å; G375-S377 VanDerWaalsContact C-N 3.34Å; G375-S377 PolarHBondContact O-N 2.75Å; G375-G379 CarbonylContact O-C 3.35Å; G375-G379 VanDerWaalsContact O-CA 3.3Å; G375-G379 WeakPolarHBondContact O-CA 3.35Å; G375-G379 PolarHBondContact O-N 2.89Å; G375-A380 WeakPolarHBondContact CA-O 3.24Å; G375-A380 PolarHBondContact O-N 3.47Å
376S89.1Confident90.3Very high104 Ų10441.3 Ų41.373%0.72725%0.248SC*.Hα-helixtrans-67.8-34.1175.9-56.40000112.4K372 T373 I374K372-S376 WeakPolarHBondContact O-CB 3.21Å; K372-S376 PolarHBondContact O-N 3.23Å; K372-S376 PolarHBondContact O-OG 3.43Å; T373-S376 PolarHBondContact O-N 3.38Å; I374-S376 VanDerWaalsContact C-N 3.31Å; I374-S376 PolarHBondContact O-N 3.47Å
377S87.9Confident90.2Very high38 Ų3845.3 Ų45.327%0.26627%0.272SS..Hα-helixtrans-80.6-30.3-179.6-65.90000113.6T373 I374 G375T373-S377 WeakPolarHBondContact O-CB 3.23Å; T373-S377 PolarHBondContact O-N 3.11Å; T373-S377 PolarHBondContact O-OG 3.36Å; I374-S377 PolarHBondContact O-N 2.99Å; I374-S377 VanDerWaalsContact O-N 3.1Å; G375-S377 VanDerWaalsContact C-N 3.34Å; G375-S377 PolarHBondContact O-N 2.75Å
378T90.6Very high90.4Very high19 Ų1945.6 Ų45.612%0.11727%0.271CS..Hα-helixtrans-106.1-12.4-174.165.70000113.7V285 I374 A380 G395 D396 V398 T421V285-T378 HydrophobicContact CG1-CG2 4.22Å; I374-T378 HydrophobicContact CG2-CG2 3.92Å; I374-T378 WeakPolarHBondContact O-CB 3.42Å; I374-T378 VanDerWaalsContact O-CG2 3.29Å; I374-T378 WeakPolarHBondContact O-CG2 3.44Å; I374-T378 PolarHBondContact O-N 3.04Å; I374-T378 PolarHBondContact O-OG1 3.03Å; T378-A380 VanDerWaalsContact C-N 3.28Å; T378-A380 WeakPolarHBondContact OG1-CB 3.37Å; T378-A380 PolarHBondContact OG1-N 3.24Å; T378-G395 WeakPolarHBondContact O-CA 3.32Å; T378-D396 WeakPolarHBondContact CB-O 3.45Å; T378-D396 PolarHBondContact O-N 2.99Å; T378-V398 HydrophobicContact CG2-CG2 3.4Å; T378-V398 VanDerWaalsContact CG2-CG2 3.4Å; T378-T421 HydrophobicContact CG2-CG2 3.8Å
379G90.6Very high90.7Very high50 Ų5042.8 Ų42.852%0.51525%0.25SS..  trans80.52.3-171.700000114.4G375G375-G379 CarbonylContact O-C 3.35Å; G375-G379 VanDerWaalsContact O-CA 3.3Å; G375-G379 WeakPolarHBondContact O-CA 3.35Å; G375-G379 PolarHBondContact O-N 2.89Å
380A93.4Very high91Very high5 Ų545 Ų454%0.04126%0.263CS..PPolyproline II helixtrans-65.5137.9178.600000111.9V285 L287 G375 T378 C393V285-A380 HydrophobicContact CG1-CB 4.23Å; L287-A380 HydrophobicContact CD1-CB 3.58Å; L287-A380 HydrophobicContact CG-CB 3.76Å; G375-A380 WeakPolarHBondContact CA-O 3.24Å; G375-A380 PolarHBondContact O-N 3.47Å; T378-A380 VanDerWaalsContact C-N 3.28Å; T378-A380 WeakPolarHBondContact OG1-CB 3.37Å; T378-A380 PolarHBondContact OG1-N 3.24Å; A380-C393 WeakPolarHBondContact CA-O 3.34Å
381I94.6Very high91.1Very high92 Ų9252.8 Ų52.847%0.47230%0.299SS..PPolyproline II helixtrans-103117.3177-56.6176.9000108.5V383 C393I381-V383 PolarHBondContact O-N 3.42Å; I381-C393 HydrophobicContact CB-CB 4.47Å; I381-C393 PolarHBondContact N-O 3.4Å
382P93.6Very high91.2Very high55 Ų5556.7 Ų56.736%0.35733%0.327SS..PPolyproline II helixtrans-63131.6177.9-20.331.6000112.4L287 T289L287-P382 HydrophobicContact CB-CB 4.2Å; L287-P382 HydrophobicContact CB-CG 4.28Å; L287-P382 HydrophobicContact CD1-CG 4.11Å; L287-P382 WeakPolarHBondContact O-CA 3.14Å; T289-P382 HydrophobicContact CG2-CB 3.77Å
383V93.4Very high91.3Very high12 Ų1250.7 Ų50.77%0.07330%0.302CS..BIsolated β-bridgetrans-115.3155.4175.9-62.30000111.5L287 I288 T289 I381 Y385 Q388 L389 C393L287-V383 PolarHBondContact O-N 3.24Å; I288-V383 CarbonylContact C-O 3.49Å; I288-V383 VanDerWaalsContact CA-O 3.3Å; I288-V383 WeakPolarHBondContact CA-O 3.47Å; I288-V383 HydrophobicContact CG1-CG2 4.32Å; T289-V383 PolarHBondContact N-O 3.29Å; T289-V383 PolarHBondContact OG1-O 3.12Å; I381-V383 PolarHBondContact O-N 3.42Å; V383-Y385 WeakPolarHBondContact CG2-O 3.35Å; V383-Q388 HydrophobicContact CB-CB 4.2Å; V383-Q388 HydrophobicContact CG1-CB 4.33Å; V383-L389 HydrophobicContact CG2-CD2 3.51Å; V383-L389 HydrophobicContact CG2-CG 3.95Å; V383-C393 HydrophobicContact CG1-CB 4.28Å
384N91.1Very high91.7Very high76 Ų7650.9 Ų50.941%0.40630%0.304SS..SBendtrans-82.2-32.3179.3-71.4-4.8000112.6T289T289-N384 WeakPolarHBondContact OG1-CA 3.41Å; T289-N384 PolarHBondContact OG1-OD1 2.88Å
385Y90.4Very high91.8Very high54 Ų5450.8 Ų50.821%0.21230%0.303CS..SBendtrans-126.5141.9-179-59.6-84.5000110.9Y296 H298 V383 T387 Q388Y296-Y385 AromaticContact CD1-CD1 3.93Å; Y296-Y385 HydrophobicContact CD1-CD1 3.93Å; Y296-Y385 AromaticContact CD1-CE1 3.57Å; Y296-Y385 HydrophobicContact CD1-CE1 3.57Å; Y296-Y385 HydrophobicContact CE1-CD1 4.36Å; Y296-Y385 AromaticContact CE1-CE1 3.91Å; Y296-Y385 HydrophobicContact CE1-CE1 3.91Å; H298-Y385 VanDerWaalsContact CB-OH 3.32Å; H298-Y385 WeakPolarHBondContact CB-OH 3.32Å; H298-Y385 VanDerWaalsContact CG-OH 3.31Å; H298-Y385 PolarHBondContact N-OH 3.11Å; H298-Y385 AromaticContact ND1-CZ 3.92Å; H298-Y385 PolarHBondContact ND1-OH 2.92Å; V383-Y385 WeakPolarHBondContact CG2-O 3.35Å; Y385-T387 PolarHBondContact O-N 3.32Å; Y385-Q388 WeakPolarHBondContact O-CB 3.45Å; Y385-Q388 PolarHBondContact O-N 3.46Å
386A89.4Confident91.8Very high5 Ų554.9 Ų54.94%0.04132%0.323CS..G310 helixtrans-58.9-32177.300000113.4I288 L292 V329 L332 Q388 L389I288-A386 HydrophobicContact CD1-CB 4.02Å; L292-A386 HydrophobicContact CD1-CB 3.46Å; L292-A386 VanDerWaalsContact CD1-CB 3.46Å; V329-A386 HydrophobicContact CG1-CB 3.82Å; V329-A386 HydrophobicContact CG2-CB 4.16Å; L332-A386 VanDerWaalsContact CD2-O 3.26Å; L332-A386 WeakPolarHBondContact CD2-O 3.37Å; A386-Q388 PolarHBondContact O-N 3.32Å; A386-L389 HydrophobicContact CB-CD1 4.47Å; A386-L389 VanDerWaalsContact O-CB 3.32Å; A386-L389 WeakPolarHBondContact O-CB 3.26Å; A386-L389 WeakPolarHBondContact O-CD1 3.3Å; A386-L389 VanDerWaalsContact O-CG 3.23Å; A386-L389 WeakPolarHBondContact O-CG 3.31Å; A386-L389 PolarHBondContact O-N 3.05Å; A386-L389 VanDerWaalsContact O-N 3.14Å
387T88.8Confident91.8Very high88 Ų8851 Ų5154%0.5430%0.3SS..G310 helixtrans-69.2-11.4178.256.10000113.8V329 Y385 L389V329-T387 HydrophobicContact CG2-CG2 4.44Å; Y385-T387 PolarHBondContact O-N 3.32Å; T387-L389 VanDerWaalsContact C-N 3.34Å
388Q91.1Very high92Very high96 Ų9649.2 Ų49.245%0.44929%0.287SS..G310 helixtrans-88.4-3.8175.3-64.7174.5-31.500112.6V383 Y385 A386 T390V383-Q388 HydrophobicContact CB-CB 4.2Å; V383-Q388 HydrophobicContact CG1-CB 4.33Å; Y385-Q388 WeakPolarHBondContact O-CB 3.45Å; Y385-Q388 PolarHBondContact O-N 3.46Å; A386-Q388 PolarHBondContact O-N 3.32Å; Q388-T390 PolarHBondContact O-N 2.76Å
389L93.4Very high92Very high6 Ų650.5 Ų50.53%0.03129%0.293CS..  trans-64.6123.8179.2-69.3169.5000110.2A286 L332 L333 L336 V383 A386 T387 C393A286-L389 HydrophobicContact CB-CD1 4.08Å; A286-L389 HydrophobicContact CB-CD2 3.92Å; L332-L389 HydrophobicContact CD2-CB 4.16Å; L333-L389 HydrophobicContact CD2-CD1 3.74Å; L336-L389 HydrophobicContact CD1-CB 3.66Å; V383-L389 HydrophobicContact CG2-CD2 3.51Å; V383-L389 HydrophobicContact CG2-CG 3.95Å; A386-L389 HydrophobicContact CB-CD1 4.47Å; A386-L389 VanDerWaalsContact O-CB 3.32Å; A386-L389 WeakPolarHBondContact O-CB 3.26Å; A386-L389 WeakPolarHBondContact O-CD1 3.3Å; A386-L389 VanDerWaalsContact O-CG 3.23Å; A386-L389 WeakPolarHBondContact O-CG 3.31Å; A386-L389 PolarHBondContact O-N 3.05Å; A386-L389 VanDerWaalsContact O-N 3.14Å; T387-L389 VanDerWaalsContact C-N 3.34Å; L389-C393 HydrophobicContact CD2-CB 4.34Å
390T93.8Very high92.1Very high67 Ų6748.1 Ų48.141%0.41127%0.269SS..  trans-121.5170.6169.461.70000109.4Q388 S392 C393Q388-T390 PolarHBondContact O-N 2.76Å; T390-S392 PolarHBondContact O-N 2.92Å; T390-S392 PolarHBondContact OG1-OG 3.39Å; T390-C393 WeakPolarHBondContact O-CB 3.49Å; T390-C393 PolarHBondContact O-N 3.03Å; T390-C393 PolarHBondContact OG1-SG 3.2Å; T390-C393 VanDerWaalsContact OG1-SG 3.39Å
391E92.1Very high92Very high166 Ų16652.9 Ų52.978%0.77629%0.291SS*.G310 helixtrans-56.5-35.2176.8-168.9177.1-177.100112.5L336 C393 V394L336-E391 HydrophobicContact CD2-CB 4.29Å; E391-C393 PolarHBondContact O-N 2.92Å; E391-V394 PolarHBondContact O-N 3.41Å
392S91.9Very high91.9Very high87 Ų8750.9 Ų50.961%0.60828%0.28SS*.G310 helixtrans-69.4-15.6176.858.90000114.5T390T390-S392 PolarHBondContact O-N 2.92Å; T390-S392 PolarHBondContact OG1-OG 3.39Å
393C93.3Very high91.7Very high11 Ų1151.2 Ų51.27%0.07427%0.274CS..G310 helixtrans-90.1-17.8180-63.90000113A380 I381 V383 L389 T390 E391A380-C393 WeakPolarHBondContact CA-O 3.34Å; I381-C393 HydrophobicContact CB-CB 4.47Å; I381-C393 PolarHBondContact N-O 3.4Å; V383-C393 HydrophobicContact CG1-CB 4.28Å; L389-C393 HydrophobicContact CD2-CB 4.34Å; T390-C393 WeakPolarHBondContact O-CB 3.49Å; T390-C393 PolarHBondContact O-N 3.03Å; T390-C393 PolarHBondContact OG1-SG 3.2Å; T390-C393 VanDerWaalsContact OG1-SG 3.39Å; E391-C393 PolarHBondContact O-N 2.92Å
394V95.2Very high91.5Very high26 Ų2654.2 Ų54.216%0.15828%0.284CS..  trans-83.9126.1-175179.50000109.7K284 L336 V338 E391K284-V394 HydrophobicContact CB-CG1 3.74Å; K284-V394 HydrophobicContact CD-CG1 4.32Å; K284-V394 HydrophobicContact CG-CG1 4.13Å; L336-V394 HydrophobicContact CB-CG2 4.15Å; L336-V394 HydrophobicContact CD1-CG2 4.22Å; V338-V394 HydrophobicContact CG2-CG1 3.97Å; V338-V394 HydrophobicContact CG2-CG2 3.74Å; E391-V394 PolarHBondContact O-N 3.41Å
395G92.8Very high91.1Very high1 Ų154.5 Ų54.51%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-92.6164.3172.100000111.5K284 V285 T378K284-G395 CarbonylContact C-O 3.46Å; K284-G395 VanDerWaalsContact CA-O 3.25Å; K284-G395 WeakPolarHBondContact CA-O 3.33Å; V285-G395 PolarHBondContact N-O 3.46Å; V285-G395 PolarHBondContact O-N 3.46Å; T378-G395 WeakPolarHBondContact O-CA 3.32Å
396D91.9Very high90.7Very high95 Ų9551.9 Ų51.951%0.50828%0.276SS..EExtended strand (participates in β ladder)trans-129.9161.3-180-169.219.6000111.6T378T378-D396 WeakPolarHBondContact CB-O 3.45Å; T378-D396 PolarHBondContact O-N 2.99Å
397G88.4Confident89.8Confident23 Ų2354.4 Ų54.424%0.23729%0.293CS..EExtended strand (participates in β ladder)trans8624173.800000115.6L283 G422L283-G397 PolarHBondContact O-N 2.92Å; G397-G422 PolarHBondContact O-N 3.17Å
398V91.6Very high88.6Confident0 Ų054.4 Ų54.40%030%0.297CS..EExtended strand (participates in β ladder)trans-86.5130.4170.4-175.50000110.2L283 V285 L340 I374 T378 I419 T421L283-V398 WeakPolarHBondContact CB-O 3.32Å; L283-V398 PolarHBondContact N-O 3.38Å; L283-V398 PolarHBondContact O-N 2.92Å; V285-V398 HydrophobicContact CB-CG2 3.81Å; V285-V398 HydrophobicContact CG1-CG2 3.52Å; V285-V398 HydrophobicContact CG2-CG2 4.39Å; L340-V398 HydrophobicContact CD2-CB 4.22Å; L340-V398 HydrophobicContact CD2-CG1 3.54Å; I374-V398 HydrophobicContact CG2-CG2 4.13Å; T378-V398 HydrophobicContact CG2-CG2 3.4Å; T378-V398 VanDerWaalsContact CG2-CG2 3.4Å; V398-I419 HydrophobicContact CG1-CG2 3.49Å; V398-I419 VanDerWaalsContact CG1-CG2 3.49Å; V398-T421 HydrophobicContact CG2-CG2 4.39Å
399N91.4Very high87Confident45 Ų4556.2 Ų56.224%0.24130%0.3CS..EExtended strand (participates in β ladder)trans-103.7141.2174.2-67.9-20000110.2I419 S420N399-I419 WeakPolarHBondContact O-CA 3.43Å; N399-S420 PolarHBondContact N-O 3.11Å; N399-S420 PolarHBondContact O-N 2.61Å
400V92.4Very high85.3Confident1 Ų158.4 Ų58.41%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-120.8122.4176176.30000108.1V278 K279 L283 L340 L361 V417 N418V278-V400 HydrophobicContact CG2-CG1 4.43Å; K279-V400 WeakPolarHBondContact CA-O 3.17Å; L283-V400 HydrophobicContact CD1-CB 4.08Å; L283-V400 HydrophobicContact CD1-CG2 3.53Å; L340-V400 HydrophobicContact CD2-CG2 4.17Å; L361-V400 HydrophobicContact CD2-CG1 3.96Å; L361-V400 HydrophobicContact CD2-CG2 4.39Å; V400-V417 HydrophobicContact CG1-CG1 3.36Å; V400-N418 WeakPolarHBondContact CA-O 3.19Å
401E91.9Very high83.5Confident105 Ų10567.9 Ų67.949%0.49134%0.338SS..EExtended strand (participates in β ladder)trans-127.6138179.9-67.3-174.9171.500110.8W403 V417 N418E401-W403 PolarHBondContact O-N 2.81Å; E401-V417 CarbonylContact O-C 3.54Å; E401-V417 WeakPolarHBondContact O-CA 3.42Å; E401-V417 WeakPolarHBondContact O-CG1 3.28Å; E401-N418 PolarHBondContact N-O 3.23Å; E401-N418 PolarHBondContact O-N 3.03Å
402I91.7Very high82.2Confident49 Ų4967.8 Ų67.825%0.25134%0.336SS..EExtended strand (participates in β ladder)trans-75.6112.7173.9-53.7-59.4000107.8A275 T415 V417A275-I402 HydrophobicContact CB-CD1 3.86Å; I402-T415 HydrophobicContact CD1-CG2 4.18Å; I402-T415 HydrophobicContact CG2-CG2 3.78Å; I402-V417 HydrophobicContact CD1-CG2 3.69Å
403W90Very high81.2Confident63 Ų6365.3 Ų65.324%0.23932%0.318CS..EExtended strand (participates in β ladder)trans-80.5-47.7179.1-179.572.5000111V260 I264 E401 A416 V431V260-W403 HydrophobicContact CG2-CZ2 4.41Å; I264-W403 HydrophobicContact CD1-CB 4.02Å; I264-W403 HydrophobicContact CD1-CD2 4.38Å; I264-W403 HydrophobicContact CD1-CG 3.91Å; I264-W403 HydrophobicContact CG2-CE3 4.42Å; E401-W403 PolarHBondContact O-N 2.81Å; W403-A416 HydrophobicContact CE3-CB 3.66Å; W403-A416 HydrophobicContact CZ3-CB 4.31Å; W403-A416 PolarHBondContact N-O 3.4Å; W403-V431 HydrophobicContact CH2-CB 4.25Å; W403-V431 HydrophobicContact CH2-CG1 3.78Å; W403-V431 HydrophobicContact CH2-CG2 4.06Å; W403-V431 HydrophobicContact CZ2-CG2 4.22Å; W403-V431 HydrophobicContact CZ3-CG1 4.07Å; W403-V431 HydrophobicContact CZ3-CG2 4.44Å
404R87.9Confident80.8Confident75 Ų7566.5 Ų66.528%0.28332%0.323SS..EExtended strand (participates in β ladder)trans-159138.5178.4-168.3170.8-66.4179.53112.1L252 L406 A416L252-R404 VanDerWaalsContact CD1-NH1 3.27Å; R404-L406 HydrophobicContact CB-CD2 4.47Å; R404-L406 HydrophobicContact CG-CD2 3.95Å; R404-A416 HydrophobicContact CB-CB 4.46Å; R404-A416 PolarHBondContact N-O 3.41Å; R404-A416 VanDerWaalsContact N-O 3.11Å; R404-A416 PolarHBondContact O-N 2.9Å
405D84.4Confident80.5Confident81 Ų8165.5 Ų65.543%0.43332%0.318SS..EExtended strand (participates in β ladder)trans-85.7122.9166.4-175.4-9000109.4S407D405-S407 VanDerWaalsContact CG-OG 3.27Å; D405-S407 WeakPolarHBondContact OD1-CB 3.4Å; D405-S407 PolarHBondContact OD1-N 3.46Å; D405-S407 PolarHBondContact OD1-OG 3.09Å; D405-S407 PolarHBondContact OD2-OG 3.12Å
406L81.4Confident80.4Confident0 Ų065.5 Ų65.50%032%0.317CS..  trans-107.98.9-177.9-52.9166000112.4V249 L252 L266 R404 S408 Y409 L414 A416V249-L406 HydrophobicContact CG1-CD1 3.63Å; V249-L406 HydrophobicContact CG1-CD2 3.7Å; V249-L406 HydrophobicContact CG1-CG 4.32Å; V249-L406 HydrophobicContact CG2-CD1 4.41Å; L252-L406 HydrophobicContact CD1-CD2 4.05Å; L266-L406 HydrophobicContact CD2-CD1 3.72Å; R404-L406 HydrophobicContact CB-CD2 4.47Å; R404-L406 HydrophobicContact CG-CD2 3.95Å; L406-S408 PolarHBondContact O-N 3.4Å; L406-Y409 PolarHBondContact O-N 2.68Å; L406-Y409 VanDerWaalsContact O-N 3.07Å; L406-L414 CarbonylContact C-O 3.6Å; L406-L414 VanDerWaalsContact CA-O 3.31Å; L406-L414 WeakPolarHBondContact CA-O 3.46Å; L406-L414 WeakPolarHBondContact CB-O 3.36Å; L406-L414 PolarHBondContact N-O 3.01Å; L406-A416 HydrophobicContact CD1-CB 4.18Å
407S71.1Confident80.5Confident58 Ų5861 Ų6141%0.40629%0.294SS..THydrogen-bonded Turntrans-54.6-20.7-178.956.20000115.2D405D405-S407 VanDerWaalsContact CG-OG 3.27Å; D405-S407 WeakPolarHBondContact OD1-CB 3.4Å; D405-S407 PolarHBondContact OD1-N 3.46Å; D405-S407 PolarHBondContact OD1-OG 3.09Å; D405-S407 PolarHBondContact OD2-OG 3.12Å
408S62.9Low80.7Confident88 Ų8860.7 Ų60.762%0.61529%0.286SS*.THydrogen-bonded Turntrans-87-14.5-179.7470000115.2L406L406-S408 PolarHBondContact O-N 3.4Å
409Y57.6Low80.7Confident133 Ų13360.9 Ų60.952%0.52229%0.287SS..THydrogen-bonded Turntrans-113.6-17.7-168.7-61.6-79.1000114.7L252 L406L252-Y409 HydrophobicContact CD2-CD1 4.35Å; L252-Y409 HydrophobicContact CD2-CD2 4.15Å; L252-Y409 HydrophobicContact CD2-CE1 4.22Å; L252-Y409 HydrophobicContact CD2-CE2 4.02Å; L252-Y409 HydrophobicContact CD2-CG 4.32Å; L406-Y409 PolarHBondContact O-N 2.68Å; L406-Y409 VanDerWaalsContact O-N 3.07Å
410E57Low80.6Confident52 Ų5259.9 Ų59.924%0.24328%0.284CS..SBendtrans-116.9154.6-178.5-74-164.5-170.600112.6S250 K412 L414S250-E410 VanDerWaalsContact CB-OE1 3.28Å; S250-E410 WeakPolarHBondContact CB-OE1 3.42Å; E410-K412 WeakPolarHBondContact CB-O 3.49Å; E410-K412 PolarHBondContact O-N 3.18Å; E410-L414 WeakPolarHBondContact OE2-CD1 3.36Å
411R57.4Low80.3Confident266 Ų26660.5 Ų60.5100%1.00429%0.287SS*.SBendtrans-65.7-21.6171.1-90.4-173.3-166.7162.74.7112.8
412K64.9Low79.1Confident165 Ų16558.7 Ų58.772%0.71730%0.297SS*.SBendtrans-113.1122.7172-68.9-176.6177.8-177.90106.5E410 L414E410-K412 WeakPolarHBondContact CB-O 3.49Å; E410-K412 PolarHBondContact O-N 3.18Å; K412-L414 PolarHBondContact O-N 2.85Å
413S70.5Confident77.7Confident35 Ų3566 Ų6625%0.24532%0.322CS..  trans-65.7123.9175.6230000109.2D269D269-S413 WeakPolarHBondContact OD1-CB 3.43Å; D269-S413 PolarHBondContact OD1-OG 2.8Å; D269-S413 PolarHBondContact OD2-OG 3.46Å
414L84.5Confident76.6Confident35 Ų3565.4 Ų65.418%0.18333%0.327CS..  trans-124.6144.7177.5-68.4179.2000108.5L266 L267 L406 E410 K412L266-L414 HydrophobicContact CD1-CD1 4.18Å; L267-L414 WeakPolarHBondContact O-CA 3.33Å; L267-L414 WeakPolarHBondContact O-CD2 3.25Å; L406-L414 CarbonylContact C-O 3.6Å; L406-L414 VanDerWaalsContact CA-O 3.31Å; L406-L414 WeakPolarHBondContact CA-O 3.46Å; L406-L414 WeakPolarHBondContact CB-O 3.36Å; L406-L414 PolarHBondContact N-O 3.01Å; E410-L414 WeakPolarHBondContact OE2-CD1 3.36Å; K412-L414 PolarHBondContact O-N 2.85Å
415T88.9Confident75.6Confident6 Ų662.2 Ų62.24%0.03732%0.316CS..EExtended strand (participates in β ladder)trans-119.8126.7172.4-63.20000108.9L267 A272 I402 V417L267-T415 PolarHBondContact N-O 3.39Å; L267-T415 PolarHBondContact O-N 3.37Å; A272-T415 HydrophobicContact CB-CG2 4.31Å; A272-T415 WeakPolarHBondContact CB-OG1 3.49Å; I402-T415 HydrophobicContact CD1-CG2 4.18Å; I402-T415 HydrophobicContact CG2-CG2 3.78Å; T415-V417 HydrophobicContact CG2-CG2 4.07Å
416A91.4Very high75.3Confident0 Ų058.4 Ų58.40%030%0.297CS..EExtended strand (participates in β ladder)trans-87125.9175.200000109.8I264 L265 L266 W403 R404 L406I264-A416 HydrophobicContact CG2-CB 4.27Å; L265-A416 WeakPolarHBondContact O-CA 3.26Å; L266-A416 HydrophobicContact CD2-CB 3.77Å; W403-A416 HydrophobicContact CE3-CB 3.66Å; W403-A416 HydrophobicContact CZ3-CB 4.31Å; W403-A416 PolarHBondContact N-O 3.4Å; R404-A416 HydrophobicContact CB-CB 4.46Å; R404-A416 PolarHBondContact N-O 3.41Å; R404-A416 VanDerWaalsContact N-O 3.11Å; R404-A416 PolarHBondContact O-N 2.9Å; L406-A416 HydrophobicContact CD1-CB 4.18Å
417V92.5Very high75.7Confident2 Ų258.5 Ų58.51%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-124.1136.6-174.7176.40000109.6I264 L265 L267 A275 V400 E401 I402 T415I264-V417 WeakPolarHBondContact CA-O 3.39Å; L265-V417 PolarHBondContact N-O 2.97Å; L265-V417 PolarHBondContact O-N 3.36Å; L267-V417 HydrophobicContact CD1-CB 3.96Å; L267-V417 HydrophobicContact CD1-CG1 4.48Å; L267-V417 HydrophobicContact CD1-CG2 3.42Å; L267-V417 VanDerWaalsContact CD1-CG2 3.42Å; L267-V417 HydrophobicContact CG-CB 4.38Å; L267-V417 HydrophobicContact CG-CG2 4.04Å; A275-V417 HydrophobicContact CB-CG2 4.11Å; V400-V417 HydrophobicContact CG1-CG1 3.36Å; E401-V417 CarbonylContact O-C 3.54Å; E401-V417 WeakPolarHBondContact O-CA 3.42Å; E401-V417 WeakPolarHBondContact O-CG1 3.28Å; I402-V417 HydrophobicContact CD1-CG2 3.69Å; T415-V417 HydrophobicContact CG2-CG2 4.07Å
418N93.1Very high76.7Confident15 Ų1555.8 Ų55.88%0.0828%0.278CS..EExtended strand (participates in β ladder)trans-93.3127.6171.5-165.412.6000110.3E261 C263 I264 V400 E401E261-N418 PolarHBondContact O-ND2 3.49Å; E261-N418 PolarHBondContact O-OD1 2.83Å; C263-N418 PolarHBondContact N-OD1 2.96Å; C263-N418 WeakPolarHBondContact O-CA 3.3Å; C263-N418 PolarHBondContact O-OD1 3.26Å; I264-N418 HydrophobicContact CD1-CB 3.49Å; I264-N418 VanDerWaalsContact CD1-CB 3.49Å; V400-N418 WeakPolarHBondContact CA-O 3.19Å; E401-N418 PolarHBondContact N-O 3.23Å; E401-N418 PolarHBondContact O-N 3.03Å
419I91.3Very high78.2Confident5 Ų551.6 Ų51.63%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-108.6115.4170.6-53.4-173.8000107.3C263 L265 L340 L342 V363 I374 V398 N399C263-I419 HydrophobicContact CB-CB 4.35Å; C263-I419 PolarHBondContact N-O 3.14Å; C263-I419 PolarHBondContact O-N 3.15Å; L265-I419 HydrophobicContact CD1-CD1 3.81Å; L340-I419 HydrophobicContact CD1-CD1 4.42Å; L340-I419 HydrophobicContact CD2-CD1 4.49Å; L340-I419 HydrophobicContact CD2-CG2 4.15Å; L342-I419 HydrophobicContact CD2-CD1 3.73Å; V363-I419 HydrophobicContact CG2-CD1 4.26Å; I374-I419 HydrophobicContact CD1-CG2 4.23Å; V398-I419 HydrophobicContact CG1-CG2 3.49Å; V398-I419 VanDerWaalsContact CG1-CG2 3.49Å; N399-I419 WeakPolarHBondContact O-CA 3.43Å
420S89.9Confident80Confident24 Ų2445.2 Ų45.217%0.16822%0.224CC..EExtended strand (participates in β ladder)trans-129.8161.8179.9650000110.2N399N399-S420 PolarHBondContact N-O 3.11Å; N399-S420 PolarHBondContact O-N 2.61Å
421T85.5Confident81.9Confident13 Ų1342.8 Ų42.88%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-107.3150.3171.956.10000108.8T378 V398 R423 S425T378-T421 HydrophobicContact CG2-CG2 3.8Å; V398-T421 HydrophobicContact CG2-CG2 4.39Å; T421-R423 CarbonylContact C-O 3.52Å; T421-R423 CarbonylContact O-C 3.58Å; T421-R423 PolarHBondContact O-N 2.98Å; T421-R423 VanDerWaalsContact O-N 3.1Å; T421-R423 PolarHBondContact OG1-O 3.37Å; T421-S425 WeakPolarHBondContact OG1-CA 3.47Å; T421-S425 VanDerWaalsContact OG1-CB 3.25Å; T421-S425 WeakPolarHBondContact OG1-CB 3.44Å
422G66.8Low83.7Confident68 Ų6830.4 Ų30.470%0.70117%0.166SC*.SBendtrans-61-1918000000114.7G397G397-G422 PolarHBondContact O-N 3.17Å
423R63.4Low85.1Confident202 Ų20222.6 Ų22.676%0.76213%0.132SC*.SBendtrans-96.1143.7163.4-64.8179178.9169.70.9108.3T421 S425T421-R423 CarbonylContact C-O 3.52Å; T421-R423 CarbonylContact O-C 3.58Å; T421-R423 PolarHBondContact O-N 2.98Å; T421-R423 VanDerWaalsContact O-N 3.1Å; T421-R423 PolarHBondContact OG1-O 3.37Å; R423-S425 PolarHBondContact O-N 3.1Å
424S66.2Low86.1Confident51 Ų5121 Ų2136%0.35712%0.121SC..  trans-50.3102.1176.653.10000109.4T229 G426T229-S424 VanDerWaalsContact CG2-CB 3.45Å; T229-S424 WeakPolarHBondContact CG2-OG 3.41Å; S424-G426 PolarHBondContact O-N 3.02Å
425S66.6Low86.2Confident7 Ų723.1 Ų23.15%0.04914%0.138CC..  trans-60.3-16.6-172.260.20000111.5T373 T421 R423 L427T373-S425 WeakPolarHBondContact CG2-O 3.38Å; T421-S425 WeakPolarHBondContact OG1-CA 3.47Å; T421-S425 VanDerWaalsContact OG1-CB 3.25Å; T421-S425 WeakPolarHBondContact OG1-CB 3.44Å; R423-S425 PolarHBondContact O-N 3.1Å; S425-L427 PolarHBondContact O-N 3.43Å; S425-L427 WeakPolarHBondContact OG-CB 3.41Å; S425-L427 PolarHBondContact OG-N 3.3Å; S425-L427 VanDerWaalsContact OG-N 3.12Å
426G79.1Confident86Confident2 Ų226.3 Ų26.32%0.02116%0.157CC..  trans67.49.9-169.200000111.9L226 K243 S424L226-G426 WeakPolarHBondContact CD2-O 3.4Å; K243-G426 WeakPolarHBondContact CB-O 3.32Å; K243-G426 WeakPolarHBondContact CD-O 3.34Å; S424-G426 PolarHBondContact O-N 3.02Å
427L88.6Confident85.7Confident2 Ų232.9 Ų32.91%0.0119%0.187CC..  trans-90.2139171.9-63.5175.4000110.1K243 G262 C263 V370 T373 I374 S425K243-L427 HydrophobicContact CB-CD2 4.17Å; K243-L427 WeakPolarHBondContact O-CA 3.29Å; G262-L427 PolarHBondContact N-O 3.43Å; C263-L427 HydrophobicContact CB-CD1 4.44Å; V370-L427 HydrophobicContact CG1-CD1 4.07Å; T373-L427 HydrophobicContact CG2-CD1 4.07Å; T373-L427 HydrophobicContact CG2-CD2 3.77Å; T373-L427 HydrophobicContact CG2-CG 3.64Å; I374-L427 HydrophobicContact CG1-CD1 4.18Å; S425-L427 PolarHBondContact O-N 3.43Å; S425-L427 WeakPolarHBondContact OG-CB 3.41Å; S425-L427 PolarHBondContact OG-N 3.3Å; S425-L427 VanDerWaalsContact OG-N 3.12Å
428V92.1Very high85.2Confident0 Ų034.2 Ų34.20%020%0.202CC..EExtended strand (participates in β ladder)trans-133.8129.4175.2173.80000108.4A222 M225 L226 K243 M244 L245 V259A222-V428 HydrophobicContact CB-CG1 3.85Å; M225-V428 HydrophobicContact CB-CG2 3.81Å; M225-V428 HydrophobicContact SD-CG1 4.44Å; L226-V428 HydrophobicContact CD2-CB 4.05Å; L226-V428 HydrophobicContact CD2-CG2 3.58Å; L226-V428 HydrophobicContact CG-CB 4.18Å; L226-V428 HydrophobicContact CG-CG2 3.77Å; K243-V428 PolarHBondContact O-N 3.27Å; K243-V428 VanDerWaalsContact O-N 3.1Å; M244-V428 CarbonylContact C-O 3.58Å; M244-V428 WeakPolarHBondContact CA-O 3.11Å; L245-V428 PolarHBondContact N-O 2.88Å; V259-V428 HydrophobicContact CG1-CG1 3.22Å
429T94.7Very high84.8Confident0 Ų033.8 Ų33.80%020%0.199CC..EExtended strand (participates in β ladder)trans-108.6129.3175.5-55.80000110.7L245 C247 V260 G262 C263 I264L245-T429 HydrophobicContact CB-CG2 4.19Å; L245-T429 WeakPolarHBondContact O-CA 3.19Å; C247-T429 HydrophobicContact CB-CG2 3.77Å; V260-T429 PolarHBondContact N-O 3.33Å; V260-T429 PolarHBondContact O-N 3.11Å; G262-T429 PolarHBondContact O-N 3.23Å; G262-T429 PolarHBondContact O-OG1 3.11Å; C263-T429 VanDerWaalsContact CA-OG1 3.31Å; C263-T429 WeakPolarHBondContact CA-OG1 3.26Å; I264-T429 HydrophobicContact CB-CG2 3.75Å; I264-T429 HydrophobicContact CG1-CG2 4Å; I264-T429 PolarHBondContact N-OG1 3.33Å; I264-T429 VanDerWaalsContact N-OG1 3.09Å
430V96.8Very high84.7Confident0 Ų033.9 Ų33.90%020%0.2CC..EExtended strand (participates in β ladder)trans-95115.8169.3-177.40000108.6L218 A222 L245 T246 C247 V259 V432 F447L218-V430 HydrophobicContact CB-CG1 4.09Å; L218-V430 HydrophobicContact CD1-CG1 4.11Å; L218-V430 HydrophobicContact CD2-CG1 4.5Å; L218-V430 HydrophobicContact CG-CG1 4.47Å; A222-V430 HydrophobicContact CB-CG2 3.79Å; L245-V430 PolarHBondContact O-N 3.35Å; T246-V430 WeakPolarHBondContact CA-O 3.4Å; C247-V430 PolarHBondContact N-O 3.28Å; V259-V430 HydrophobicContact CG1-CG2 4.28Å; V259-V430 HydrophobicContact CG2-CG1 4.47Å; V259-V430 HydrophobicContact CG2-CG2 3.98Å; V430-V432 HydrophobicContact CG1-CG2 4.3Å; V430-F447 HydrophobicContact CB-CE1 4.09Å; V430-F447 HydrophobicContact CB-CE2 3.92Å; V430-F447 HydrophobicContact CB-CZ 3.64Å; V430-F447 HydrophobicContact CG1-CD2 3.98Å; V430-F447 HydrophobicContact CG1-CE1 4.47Å; V430-F447 HydrophobicContact CG1-CE2 3.71Å; V430-F447 HydrophobicContact CG1-CG 4.46Å; V430-F447 HydrophobicContact CG1-CZ 3.97Å; V430-F447 HydrophobicContact CG2-CE1 4.12Å; V430-F447 HydrophobicContact CG2-CE2 3.58Å; V430-F447 HydrophobicContact CG2-CZ 3.26Å
431V96.1Very high84.7Confident0 Ų035.3 Ų35.30%020%0.204CC..EExtended strand (participates in β ladder)trans-85.4115175.7-172.80000108.1C247 V249 A257 C258 V260 I264 W403 T433C247-V431 CarbonylContact O-C 3.49Å; C247-V431 WeakPolarHBondContact O-CA 3.34Å; V249-V431 HydrophobicContact CB-CG1 4.42Å; V249-V431 HydrophobicContact CG2-CG1 3.65Å; A257-V431 WeakPolarHBondContact CA-O 3.31Å; A257-V431 WeakPolarHBondContact CB-O 3.46Å; C258-V431 PolarHBondContact N-O 3.04Å; C258-V431 VanDerWaalsContact N-O 3.13Å; C258-V431 PolarHBondContact O-N 3.18Å; V260-V431 HydrophobicContact CG2-CG2 4.18Å; I264-V431 HydrophobicContact CG1-CG2 4.25Å; I264-V431 HydrophobicContact CG2-CG2 4.49Å; W403-V431 HydrophobicContact CH2-CB 4.25Å; W403-V431 HydrophobicContact CH2-CG1 3.78Å; W403-V431 HydrophobicContact CH2-CG2 4.06Å; W403-V431 HydrophobicContact CZ2-CG2 4.22Å; W403-V431 HydrophobicContact CZ3-CG1 4.07Å; W403-V431 HydrophobicContact CZ3-CG2 4.44Å; V431-T433 HydrophobicContact CG1-CG2 4.06Å
432V95.7Very high84.9Confident7 Ų734.9 Ų34.94%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-102.3126.2176.8179.70000108.2C247 L248 V249 V430 L443C247-V432 PolarHBondContact O-N 3.22Å; L248-V432 WeakPolarHBondContact CA-O 3.42Å; L248-V432 HydrophobicContact CD2-CB 3.88Å; L248-V432 HydrophobicContact CD2-CG1 4.36Å; L248-V432 HydrophobicContact CD2-CG2 4.45Å; V249-V432 PolarHBondContact N-O 3.42Å; V430-V432 HydrophobicContact CG1-CG2 4.3Å; V432-L443 HydrophobicContact CG1-CB 3.6Å; V432-L443 HydrophobicContact CG1-CD1 4.35Å
433T93.2Very high86.1Confident1 Ų132.7 Ų32.71%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-119.7148-173.959.40000111.4V249 L252 P253 E254 A257 V431V249-T433 HydrophobicContact CB-CG2 4.17Å; V249-T433 WeakPolarHBondContact O-CA 3.33Å; L252-T433 HydrophobicContact CB-CG2 4.23Å; L252-T433 HydrophobicContact CD1-CG2 4.38Å; P253-T433 PolarHBondContact O-OG1 3.07Å; E254-T433 WeakPolarHBondContact CA-O 3.3Å; E254-T433 WeakPolarHBondContact CA-OG1 3.36Å; E254-T433 VanDerWaalsContact CG-O 3.27Å; E254-T433 WeakPolarHBondContact CG-O 3.37Å; A257-T433 PolarHBondContact N-OG1 3.33Å; A257-T433 VanDerWaalsContact N-OG1 3.12Å; V431-T433 HydrophobicContact CG1-CG2 4.06Å
434S91Very high87.5Confident0 Ų024.8 Ų24.80%015%0.145CC..EExtended strand (participates in β ladder)trans-160.2140171.5173.70000111.7V249 G251 L252 V436V249-S434 PolarHBondContact O-N 3.19Å; G251-S434 PolarHBondContact N-O 3.42Å; L252-S434 CarbonylContact O-C 3.6Å; L252-S434 WeakPolarHBondContact O-CA 3.36Å; L252-S434 PolarHBondContact O-N 2.92Å; S434-V436 PolarHBondContact O-N 2.96Å; S434-V436 PolarHBondContact OG-N 2.94Å; S434-V436 PolarHBondContact OG-O 2.82Å
435C87.8Confident88.7Confident80 Ų8023 Ų2354%0.54113%0.132SC..SBendtrans-68.6-18.6170-60.90000112.2L252 P253L252-C435 PolarHBondContact O-N 3Å; P253-C435 VanDerWaalsContact CA-SG 3.57Å
436V85.3Confident89.9Confident73 Ų7324.9 Ų24.944%0.44214%0.14SC..SBendtrans-110.7108.4179.8-177.90000108.6S434 G438 K439S434-V436 PolarHBondContact O-N 2.96Å; S434-V436 PolarHBondContact OG-N 2.94Å; S434-V436 PolarHBondContact OG-O 2.82Å; V436-G438 VanDerWaalsContact C-N 3.32Å; V436-G438 PolarHBondContact O-N 3.34Å; V436-K439 HydrophobicContact CB-CB 4.12Å; V436-K439 HydrophobicContact CG1-CB 4.26Å; V436-K439 WeakPolarHBondContact O-CB 3.47Å; V436-K439 PolarHBondContact O-N 2.98Å
437H83.6Confident90.7Very high138 Ų13824.9 Ų24.964%0.63914%0.139SC*.G310 helixtrans-53.7-47.5-179-176.774.4000112.2K439 L440H437-K439 PolarHBondContact O-N 3.34Å; H437-L440 WeakPolarHBondContact O-CB 3.37Å; H437-L440 PolarHBondContact O-N 2.7Å
438G81.9Confident91Very high31 Ų3126.3 Ų26.332%0.3215%0.145SC..G310 helixtrans-62.1-13.3179.300000115.2V436V436-G438 VanDerWaalsContact C-N 3.32Å; V436-G438 PolarHBondContact O-N 3.34Å
439K86.1Confident91Very high6 Ų627 Ų273%0.02615%0.151CC..G310 helixtrans-87.7-21.4175.9-163.7-171.7-179.3-178.60112.6F182 E254 V436 H437 Q441 A442 L443F182-K439 HydrophobicContact CD1-CD 3.89Å; F182-K439 HydrophobicContact CD1-CG 4.48Å; F182-K439 HydrophobicContact CE1-CB 4.4Å; F182-K439 HydrophobicContact CE1-CD 3.46Å; F182-K439 VanDerWaalsContact CE1-CD 3.46Å; F182-K439 HydrophobicContact CE1-CG 3.82Å; F182-K439 HydrophobicContact CZ-CD 4.38Å; E254-K439 VanDerWaalsContact OE1-CD 3.27Å; E254-K439 WeakPolarHBondContact OE1-CD 3.41Å; E254-K439 WeakPolarHBondContact OE1-CE 3.44Å; E254-K439 IonicContact OE1-NZ 3.69Å; E254-K439 PolarHBondContact OE1-NZ 3.34Å; E254-K439 IonicContact OE2-NZ 2.63Å; E254-K439 PolarHBondContact OE2-NZ 2.85Å; V436-K439 HydrophobicContact CB-CB 4.12Å; V436-K439 HydrophobicContact CG1-CB 4.26Å; V436-K439 WeakPolarHBondContact O-CB 3.47Å; V436-K439 PolarHBondContact O-N 2.98Å; H437-K439 PolarHBondContact O-N 3.34Å; K439-Q441 VanDerWaalsContact C-N 3.35Å; K439-Q441 PolarHBondContact O-N 2.72Å; K439-A442 PolarHBondContact O-N 2.99Å; K439-A442 VanDerWaalsContact O-N 3.08Å; K439-L443 HydrophobicContact CD-CD1 4.09Å; K439-L443 HydrophobicContact CD-CG 4.35Å; K439-L443 HydrophobicContact CG-CD1 4.11Å; K439-L443 HydrophobicContact CG-CG 4.11Å; K439-L443 PolarHBondContact O-N 3.48Å
440L89.3Confident91Very high7 Ų727 Ų274%0.03715%0.151CC..Hα-helixtrans-56.6-45.8-172.8-75.1168.2000112.4L248 H437 A442 L443 E444L248-L440 HydrophobicContact CB-CD1 4.46Å; L248-L440 HydrophobicContact CD1-CB 4.4Å; H437-L440 WeakPolarHBondContact O-CB 3.37Å; H437-L440 PolarHBondContact O-N 2.7Å; L440-A442 VanDerWaalsContact C-N 3.31Å; L440-A442 PolarHBondContact O-N 3.45Å; L440-L443 PolarHBondContact O-N 3.06Å; L440-E444 WeakPolarHBondContact O-CB 3.49Å; L440-E444 PolarHBondContact O-N 2.71Å
441Q89.8Confident90.9Very high54 Ų5427 Ų2725%0.25215%0.151SC..Hα-helixtrans-61.3-39178.7-171.8-178.819.800112.2V47 R54 K439 E444 D445V47-Q441 VanDerWaalsContact CG2-OE1 3.31Å; R54-Q441 VanDerWaalsContact NH1-NE2 3.19Å; K439-Q441 VanDerWaalsContact C-N 3.35Å; K439-Q441 PolarHBondContact O-N 2.72Å; Q441-E444 PolarHBondContact O-N 3.01Å; Q441-D445 WeakPolarHBondContact O-CB 3.38Å; Q441-D445 PolarHBondContact O-N 3.21Å
442A88.6Confident90.8Very high3 Ų329 Ų293%0.02516%0.158CC..Hα-helixtrans-69.4-36.8177.700000112.2Y35 K439 L440 Q446Y35-A442 HydrophobicContact CE1-CB 3.82Å; K439-A442 PolarHBondContact O-N 2.99Å; K439-A442 VanDerWaalsContact O-N 3.08Å; L440-A442 VanDerWaalsContact C-N 3.31Å; L440-A442 PolarHBondContact O-N 3.45Å; A442-Q446 WeakPolarHBondContact O-CB 3.37Å; A442-Q446 VanDerWaalsContact O-CG 3.24Å; A442-Q446 WeakPolarHBondContact O-CG 3.47Å; A442-Q446 PolarHBondContact O-N 3.06Å
443L91.8Very high90.7Very high22 Ų2229.1 Ų29.112%0.11516%0.158CC..Hα-helixtrans-68.2-40.6174.7-68.5168.6000111.5E254 V432 K439 L440 Q446 F447E254-L443 HydrophobicContact CG-CD1 3.81Å; V432-L443 HydrophobicContact CG1-CB 3.6Å; V432-L443 HydrophobicContact CG1-CD1 4.35Å; K439-L443 HydrophobicContact CD-CD1 4.09Å; K439-L443 HydrophobicContact CD-CG 4.35Å; K439-L443 HydrophobicContact CG-CD1 4.11Å; K439-L443 HydrophobicContact CG-CG 4.11Å; K439-L443 PolarHBondContact O-N 3.48Å; L440-L443 PolarHBondContact O-N 3.06Å; L443-Q446 WeakPolarHBondContact O-CB 3.37Å; L443-Q446 PolarHBondContact O-N 2.91Å; L443-F447 PolarHBondContact O-N 3.46Å
444E93.9Very high90.7Very high36 Ų3629 Ų2917%0.16816%0.158CC..Hα-helixtrans-61.1-48174.2-168.8-175.3-153.500111.4T246 L248 L440 Q441 Q446 F447 W448T246-E444 WeakPolarHBondContact CB-OE1 3.22Å; T246-E444 HydrophobicContact CG2-CG 4.17Å; T246-E444 PolarHBondContact OG1-OE1 2.78Å; L248-E444 HydrophobicContact CD2-CB 3.76Å; L248-E444 HydrophobicContact CD2-CG 3.85Å; L440-E444 WeakPolarHBondContact O-CB 3.49Å; L440-E444 PolarHBondContact O-N 2.71Å; Q441-E444 PolarHBondContact O-N 3.01Å; E444-Q446 VanDerWaalsContact C-N 3.28Å; E444-Q446 PolarHBondContact O-N 3.23Å; E444-F447 WeakPolarHBondContact O-CB 3.32Å; E444-F447 PolarHBondContact O-N 3.22Å; E444-W448 PolarHBondContact O-N 3.36Å
445D92Very high90.7Very high15 Ų1530.8 Ų30.88%0.0817%0.166CC..Hα-helixtrans-60.5-38.1176.2-79.5-4.4000111.6R54 Q441 A449R54-D445 WeakPolarHBondContact CG-OD2 3.26Å; R54-D445 IonicContact CZ-OD1 3.78Å; R54-D445 IonicContact CZ-OD2 3.42Å; R54-D445 IonicContact NE-OD1 2.82Å; R54-D445 PolarHBondContact NE-OD1 3.35Å; R54-D445 IonicContact NE-OD2 3.8Å; R54-D445 PolarHBondContact NE-OD2 3.01Å; R54-D445 IonicContact NH2-OD1 3.84Å; R54-D445 PolarHBondContact NH2-OD1 2.88Å; R54-D445 IonicContact NH2-OD2 2.61Å; Q441-D445 WeakPolarHBondContact O-CB 3.38Å; Q441-D445 PolarHBondContact O-N 3.21Å; D445-A449 VanDerWaalsContact O-CB 3.27Å; D445-A449 WeakPolarHBondContact O-CB 3.09Å; D445-A449 PolarHBondContact O-N 3.21Å
446Q91.3Very high90.9Very high46 Ų4627.5 Ų27.522%0.21514%0.142CC..Hα-helixtrans-65.2-44.5175.4-77.7173.211.900111.8Y35 A215 A442 L443 E444 A449 C450Y35-Q446 PolarHBondContact OH-NE2 3.08Å; Y35-Q446 VanDerWaalsContact OH-NE2 3.11Å; A215-Q446 HydrophobicContact CB-CB 4.44Å; A442-Q446 WeakPolarHBondContact O-CB 3.37Å; A442-Q446 VanDerWaalsContact O-CG 3.24Å; A442-Q446 WeakPolarHBondContact O-CG 3.47Å; A442-Q446 PolarHBondContact O-N 3.06Å; L443-Q446 WeakPolarHBondContact O-CB 3.37Å; L443-Q446 PolarHBondContact O-N 2.91Å; E444-Q446 VanDerWaalsContact C-N 3.28Å; E444-Q446 PolarHBondContact O-N 3.23Å; Q446-A449 PolarHBondContact O-N 3.34Å; Q446-C450 PolarHBondContact O-N 3.43Å; Q446-C450 PolarHBondContact O-SG 3.1Å
447F95Very high91.2Very high2 Ų224 Ų241%0.00912%0.121CC..Hα-helixtrans-58.3-53174.3167.8-100000111.2L218 A219 M244 T246 V430 L443 E444 A449 C450 A451L218-F447 HydrophobicContact CB-CD2 4.11Å; L218-F447 HydrophobicContact CB-CE2 4.13Å; A219-F447 HydrophobicContact CB-CE2 4.17Å; M244-F447 HydrophobicContact CG-CE1 4.47Å; M244-F447 HydrophobicContact CG-CZ 4.14Å; M244-F447 HydrophobicContact SD-CE1 4.1Å; M244-F447 HydrophobicContact SD-CE2 4.43Å; M244-F447 HydrophobicContact SD-CZ 3.47Å; M244-F447 WeakPolarHBondContact SD-CZ 3.36Å; T246-F447 HydrophobicContact CG2-CD1 3.43Å; T246-F447 VanDerWaalsContact CG2-CD1 3.43Å; T246-F447 HydrophobicContact CG2-CE1 3.47Å; T246-F447 VanDerWaalsContact CG2-CE1 3.47Å; V430-F447 HydrophobicContact CB-CE1 4.09Å; V430-F447 HydrophobicContact CB-CE2 3.92Å; V430-F447 HydrophobicContact CB-CZ 3.64Å; V430-F447 HydrophobicContact CG1-CD2 3.98Å; V430-F447 HydrophobicContact CG1-CE1 4.47Å; V430-F447 HydrophobicContact CG1-CE2 3.71Å; V430-F447 HydrophobicContact CG1-CG 4.46Å; V430-F447 HydrophobicContact CG1-CZ 3.97Å; V430-F447 HydrophobicContact CG2-CE1 4.12Å; V430-F447 HydrophobicContact CG2-CE2 3.58Å; V430-F447 HydrophobicContact CG2-CZ 3.26Å; L443-F447 PolarHBondContact O-N 3.46Å; E444-F447 WeakPolarHBondContact O-CB 3.32Å; E444-F447 PolarHBondContact O-N 3.22Å; F447-A449 VanDerWaalsContact C-N 3.29Å; F447-A449 PolarHBondContact O-N 2.98Å; F447-C450 WeakPolarHBondContact O-CA 3.46Å; F447-C450 WeakPolarHBondContact O-CB 3.49Å; F447-C450 PolarHBondContact O-N 2.7Å; F447-A451 HydrophobicContact CZ-CB 4.39Å; F447-A451 PolarHBondContact O-N 3.49Å
448W95.1Very high91.4Very high32 Ų3220.3 Ų20.312%0.12111%0.106CC..Hα-helixtrans-62.1-37179.1-79.2118.8000112.5I241 M244 T246 E444 C450 A451 Y452I241-W448 HydrophobicContact CD1-CZ3 4.27Å; I241-W448 HydrophobicContact CG1-CZ3 3.97Å; M244-W448 HydrophobicContact CB-CH2 4.22Å; M244-W448 HydrophobicContact CB-CZ3 4.44Å; M244-W448 HydrophobicContact CG-CH2 4.33Å; M244-W448 WeakPolarHBondContact O-CH2 3.28Å; T246-W448 HydrophobicContact CG2-CZ2 3.87Å; T246-W448 PolarHBondContact OG1-NE1 3.36Å; E444-W448 PolarHBondContact O-N 3.36Å; W448-C450 VanDerWaalsContact C-N 3.32Å; W448-C450 PolarHBondContact O-N 3.1Å; W448-A451 HydrophobicContact CE3-CB 4.27Å; W448-A451 PolarHBondContact O-N 3.36Å; W448-Y452 AromaticContact CE3-CD2 3.89Å; W448-Y452 HydrophobicContact CE3-CD2 3.89Å; W448-Y452 AromaticContact CE3-CE2 3.61Å; W448-Y452 HydrophobicContact CE3-CE2 3.61Å; W448-Y452 AromaticContact CZ3-CE2 3.99Å; W448-Y452 HydrophobicContact CZ3-CE2 3.99Å; W448-Y452 WeakPolarHBondContact O-CB 3.39Å; W448-Y452 WeakPolarHBondContact O-CD2 3.32Å; W448-Y452 PolarHBondContact O-N 2.81Å
449A93Very high91.7Very high15 Ų1525.8 Ų25.812%0.12412%0.121CC..Hα-helixtrans-62.9-36.6172.700000112.2D445 Q446 F447 R453D445-A449 VanDerWaalsContact O-CB 3.27Å; D445-A449 WeakPolarHBondContact O-CB 3.09Å; D445-A449 PolarHBondContact O-N 3.21Å; Q446-A449 PolarHBondContact O-N 3.34Å; F447-A449 VanDerWaalsContact C-N 3.29Å; F447-A449 PolarHBondContact O-N 2.98Å; A449-R453 WeakPolarHBondContact O-CB 3.43Å; A449-R453 WeakPolarHBondContact O-CG 3.37Å; A449-R453 PolarHBondContact O-N 3Å; A449-R453 VanDerWaalsContact O-N 3.12Å; A449-R453 PolarHBondContact O-NE 2.73Å
450C94.2Very high91.8Very high0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-66.8-51172.7-61.30000111.8M216 A219 Q446 F447 W448 Y452 R453 L454M216-C450 HydrophobicContact CB-CB 4.3Å; M216-C450 HydrophobicContact CE-CB 3.83Å; M216-C450 HydrophobicContact SD-CB 4Å; A219-C450 HydrophobicContact CB-CB 4.06Å; Q446-C450 PolarHBondContact O-N 3.43Å; Q446-C450 PolarHBondContact O-SG 3.1Å; F447-C450 WeakPolarHBondContact O-CA 3.46Å; F447-C450 WeakPolarHBondContact O-CB 3.49Å; F447-C450 PolarHBondContact O-N 2.7Å; W448-C450 VanDerWaalsContact C-N 3.32Å; W448-C450 PolarHBondContact O-N 3.1Å; C450-Y452 VanDerWaalsContact C-N 3.33Å; C450-Y452 PolarHBondContact O-N 2.98Å; C450-R453 PolarHBondContact O-N 2.89Å; C450-R453 VanDerWaalsContact O-N 3.16Å; C450-R453 PolarHBondContact SG-NH2 3.14Å; C450-L454 PolarHBondContact O-N 3.15Å
451A94.5Very high91.8Very high0 Ų028.8 Ų28.80%014%0.144CC..Hα-helixtrans-58.7-44-178.700000111.9A219 I241 M244 F447 W448 L454 H455A219-A451 HydrophobicContact CB-CB 4.19Å; I241-A451 HydrophobicContact CD1-CB 4.1Å; M244-A451 HydrophobicContact SD-CB 4.05Å; F447-A451 HydrophobicContact CZ-CB 4.39Å; F447-A451 PolarHBondContact O-N 3.49Å; W448-A451 HydrophobicContact CE3-CB 4.27Å; W448-A451 PolarHBondContact O-N 3.36Å; A451-L454 PolarHBondContact O-N 3.38Å; A451-H455 WeakPolarHBondContact O-CB 3.27Å; A451-H455 PolarHBondContact O-N 3.26Å
452Y94.6Very high91.8Very high41 Ų4126.8 Ų26.816%0.16114%0.136CC..Hα-helixtrans-71.7-33.5177-86.7-100.6000113.2Y80 R81 I241 W448 C450 L454 H455 H456Y80-Y452 VanDerWaalsContact O-CB 3.3Å; Y80-Y452 WeakPolarHBondContact O-CB 3.48Å; R81-Y452 HydrophobicContact CB-CD1 4.22Å; R81-Y452 HydrophobicContact CB-CD2 3.71Å; R81-Y452 HydrophobicContact CB-CE2 4.26Å; R81-Y452 HydrophobicContact CB-CG 3.68Å; R81-Y452 HydrophobicContact CG-CD1 4.01Å; R81-Y452 HydrophobicContact CG-CD2 3.42Å; R81-Y452 VanDerWaalsContact CG-CD2 3.42Å; R81-Y452 HydrophobicContact CG-CE1 4.02Å; R81-Y452 HydrophobicContact CG-CE2 3.43Å; R81-Y452 VanDerWaalsContact CG-CE2 3.43Å; R81-Y452 HydrophobicContact CG-CG 3.72Å; I241-Y452 HydrophobicContact CD1-CD1 4.18Å; I241-Y452 HydrophobicContact CD1-CD2 3.32Å; I241-Y452 HydrophobicContact CD1-CE1 4.26Å; I241-Y452 HydrophobicContact CD1-CE2 3.4Å; I241-Y452 VanDerWaalsContact CD1-CE2 3.4Å; I241-Y452 HydrophobicContact CD1-CG 3.75Å; I241-Y452 HydrophobicContact CG1-CD2 4.47Å; I241-Y452 HydrophobicContact CG1-CE2 4.14Å; W448-Y452 AromaticContact CE3-CD2 3.89Å; W448-Y452 HydrophobicContact CE3-CD2 3.89Å; W448-Y452 AromaticContact CE3-CE2 3.61Å; W448-Y452 HydrophobicContact CE3-CE2 3.61Å; W448-Y452 AromaticContact CZ3-CE2 3.99Å; W448-Y452 HydrophobicContact CZ3-CE2 3.99Å; W448-Y452 WeakPolarHBondContact O-CB 3.39Å; W448-Y452 WeakPolarHBondContact O-CD2 3.32Å; W448-Y452 PolarHBondContact O-N 2.81Å; C450-Y452 VanDerWaalsContact C-N 3.33Å; C450-Y452 PolarHBondContact O-N 2.98Å; Y452-L454 VanDerWaalsContact C-N 3.33Å; Y452-H455 PolarHBondContact O-N 2.94Å; Y452-H456 AromaticContact CD1-NE2 3.66Å; Y452-H456 WeakPolarHBondContact O-CB 3.37Å; Y452-H456 PolarHBondContact O-CD2 2.82Å; Y452-H456 PolarHBondContact O-N 3.45Å
453R93.5Very high91.9Very high9 Ų926.6 Ų26.63%0.03414%0.135CC..Hα-helixtrans-60.5-44.7171.5-80.4177.9-72.2172.1-4.6111.1T82 L208 S209 H210 A449 C450 A457 N581T82-R453 HydrophobicContact CG2-CG 3.95Å; L208-R453 WeakPolarHBondContact O-CD 2.97Å; L208-R453 PolarHBondContact O-NH1 2.93Å; S209-R453 PolarHBondContact O-NH1 3.47Å; S209-R453 PolarHBondContact O-NH2 3.49Å; H210-R453 PolarHBondContact CD2-NH1 3.34Å; A449-R453 WeakPolarHBondContact O-CB 3.43Å; A449-R453 WeakPolarHBondContact O-CG 3.37Å; A449-R453 PolarHBondContact O-N 3Å; A449-R453 VanDerWaalsContact O-N 3.12Å; A449-R453 PolarHBondContact O-NE 2.73Å; C450-R453 PolarHBondContact O-N 2.89Å; C450-R453 VanDerWaalsContact O-N 3.16Å; C450-R453 PolarHBondContact SG-NH2 3.14Å; R453-A457 VanDerWaalsContact O-CB 3.28Å; R453-A457 WeakPolarHBondContact O-CB 3.43Å; R453-A457 PolarHBondContact O-N 3.34Å; R453-N581 WeakPolarHBondContact CA-OD1 3.21Å; R453-N581 WeakPolarHBondContact CG-OD1 3.36Å; R453-N581 PolarHBondContact O-ND2 3.48Å
454L92.1Very high91.8Very high0 Ų025.6 Ų25.60%013%0.13CC..Hα-helixtrans-64-45.7175-176.358.7000111.2M201 A205 V220 A223 C450 A451 Y452 H456 A457 L458M201-L454 HydrophobicContact CG-CD1 4.06Å; M201-L454 HydrophobicContact CG-CD2 4.47Å; M201-L454 HydrophobicContact SD-CD2 4.25Å; A205-L454 HydrophobicContact CB-CD1 4.3Å; V220-L454 HydrophobicContact CG2-CD2 4.33Å; A223-L454 HydrophobicContact CB-CD2 4.02Å; C450-L454 PolarHBondContact O-N 3.15Å; A451-L454 PolarHBondContact O-N 3.38Å; Y452-L454 VanDerWaalsContact C-N 3.33Å; L454-H456 PolarHBondContact O-N 3Å; L454-A457 PolarHBondContact O-N 2.96Å; L454-L458 HydrophobicContact CD1-CD1 4.11Å; L454-L458 HydrophobicContact CD1-CG 4.14Å; L454-L458 HydrophobicContact CG-CD1 4.06Å; L454-L458 HydrophobicContact CG-CG 4.47Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.22Å; L454-L458 PolarHBondContact O-N 3.37Å
455H91.9Very high91.4Very high37 Ų3724.2 Ų24.217%0.17112%0.124CC..Hα-helixtrans-56.4-51.1177.2176.875.8000113.1F239 I241 A451 Y452 A457 L458 K459F239-H455 HydrophobicContact CD1-CB 3.73Å; F239-H455 AromaticContact CD1-ND1 3.86Å; F239-H455 HydrophobicContact CE1-CB 3.71Å; F239-H455 PolarHBondContact O-ND1 3.44Å; I241-H455 HydrophobicContact CD1-CB 3.99Å; A451-H455 WeakPolarHBondContact O-CB 3.27Å; A451-H455 PolarHBondContact O-N 3.26Å; Y452-H455 PolarHBondContact O-N 2.94Å; H455-A457 VanDerWaalsContact C-N 3.34Å; H455-A457 PolarHBondContact O-N 3.18Å; H455-L458 PolarHBondContact O-N 3.01Å; H455-K459 VanDerWaalsContact O-CB 3.26Å; H455-K459 WeakPolarHBondContact O-CB 3.32Å; H455-K459 PolarHBondContact O-N 3.37Å
456H91.8Very high91.1Very high10 Ų1023.6 Ų23.65%0.04612%0.121CC..Hα-helixtrans-68.2-34.5180-72.1-60.8000112Y80 Y452 L454 K459 D460 N581 V584Y80-H456 AromaticContact CD1-CE1 3.61Å; Y80-H456 AromaticContact CD1-NE2 3.51Å; Y80-H456 AromaticContact CE1-CE1 4Å; Y452-H456 AromaticContact CD1-NE2 3.66Å; Y452-H456 WeakPolarHBondContact O-CB 3.37Å; Y452-H456 PolarHBondContact O-CD2 2.82Å; Y452-H456 PolarHBondContact O-N 3.45Å; L454-H456 PolarHBondContact O-N 3Å; H456-K459 PolarHBondContact O-N 3.31Å; H456-D460 WeakPolarHBondContact O-CB 3.44Å; H456-D460 PolarHBondContact O-N 3.43Å; H456-N581 HydrophobicContact CB-CB 4.34Å; H456-V584 HydrophobicContact CB-CG2 3.89Å
457A90.6Very high90.6Very high0 Ų024.3 Ų24.30%014%0.135CC..Hα-helixtrans-62.5-48.6175.100000111F133 I204 L208 R453 L454 H455 K459 D460 G461 L463 N581F133-A457 WeakPolarHBondContact CE2-O 3.43Å; F133-A457 HydrophobicContact CZ-CB 4.09Å; F133-A457 WeakPolarHBondContact CZ-O 3.26Å; I204-A457 HydrophobicContact CG2-CB 4.38Å; L208-A457 HydrophobicContact CD1-CB 3.42Å; L208-A457 VanDerWaalsContact CD1-CB 3.42Å; R453-A457 VanDerWaalsContact O-CB 3.28Å; R453-A457 WeakPolarHBondContact O-CB 3.43Å; R453-A457 PolarHBondContact O-N 3.34Å; L454-A457 PolarHBondContact O-N 2.96Å; H455-A457 VanDerWaalsContact C-N 3.34Å; H455-A457 PolarHBondContact O-N 3.18Å; A457-K459 VanDerWaalsContact C-N 3.32Å; A457-K459 PolarHBondContact O-N 2.87Å; A457-D460 PolarHBondContact O-N 3.46Å; A457-G461 PolarHBondContact O-N 2.71Å; A457-L463 HydrophobicContact CB-CD2 3.76Å; A457-N581 WeakPolarHBondContact CA-ND2 3.46Å; A457-N581 WeakPolarHBondContact CB-ND2 3.22Å; A457-N581 PolarHBondContact N-ND2 2.86Å
458L88Confident90.1Very high61 Ų6124.6 Ų24.632%0.31914%0.138SC..Hα-helixtrans-63.4-38.6177.8-66.3176.6000112.2F133 M201 F239 L454 H455F133-L458 HydrophobicContact CE2-CD2 4.09Å; M201-L458 HydrophobicContact SD-CD1 4.44Å; F239-L458 HydrophobicContact CB-CD1 3.88Å; F239-L458 HydrophobicContact CD1-CD1 4.35Å; F239-L458 HydrophobicContact CG-CD1 4.27Å; L454-L458 HydrophobicContact CD1-CD1 4.11Å; L454-L458 HydrophobicContact CD1-CG 4.14Å; L454-L458 HydrophobicContact CG-CD1 4.06Å; L454-L458 HydrophobicContact CG-CG 4.47Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.22Å; L454-L458 PolarHBondContact O-N 3.37Å; H455-L458 PolarHBondContact O-N 3.01Å
459K88.1Confident89.6Confident146 Ų14623.2 Ų23.264%0.63513%0.134SC*.Hα-helixtrans-69.6-41.1177.5-175.3177.3-179.7176.70112.9H455 H456 A457H455-K459 VanDerWaalsContact O-CB 3.26Å; H455-K459 WeakPolarHBondContact O-CB 3.32Å; H455-K459 PolarHBondContact O-N 3.37Å; H456-K459 PolarHBondContact O-N 3.31Å; A457-K459 VanDerWaalsContact C-N 3.32Å; A457-K459 PolarHBondContact O-N 2.87Å
460D89.3Confident89.4Confident47 Ų4722.6 Ų22.625%0.25113%0.129SC..Hα-helixtrans-76.1-29.7-177.8-67-11000111.5H456 A457 A462 S583H456-D460 WeakPolarHBondContact O-CB 3.44Å; H456-D460 PolarHBondContact O-N 3.43Å; A457-D460 PolarHBondContact O-N 3.46Å; D460-A462 PolarHBondContact O-N 3.02Å; D460-A462 VanDerWaalsContact O-N 3.11Å; D460-S583 WeakPolarHBondContact OD1-CB 3.41Å; D460-S583 PolarHBondContact OD1-OG 3.07Å; D460-S583 VanDerWaalsContact OD2-CB 3.22Å; D460-S583 WeakPolarHBondContact OD2-CB 3.44Å; D460-S583 PolarHBondContact OD2-N 3.41Å; D460-S583 PolarHBondContact OD2-OG 3.36Å
461G88Confident89.4Confident29 Ų2922.6 Ų22.630%0.29913%0.129SC..SBendtrans65.67.8-175.200000114.2F133 A457F133-G461 PolarHBondContact N-O 3.42Å; A457-G461 PolarHBondContact O-N 2.71Å
462A89.8Confident89.2Confident11 Ų1123 Ų239%0.09113%0.131CC..EExtended strand (participates in β ladder)trans-147.2149.5-17600000111V131 D460 L582V131-A462 CarbonylContact O-C 3.58Å; V131-A462 VanDerWaalsContact O-CA 3.31Å; V131-A462 WeakPolarHBondContact O-CA 3.41Å; D460-A462 PolarHBondContact O-N 3.02Å; D460-A462 VanDerWaalsContact O-N 3.11Å; A462-L582 HydrophobicContact CB-CD2 4.2Å
463L90.6Very high89Confident0 Ų021.3 Ų21.30%013%0.125CC..EExtended strand (participates in β ladder)trans-126.2151.1-177.2-69.9178.5000111.6S130 V131 F133 L136 I204 L208 A457 Y579S130-L463 CarbonylContact C-O 3.47Å; S130-L463 WeakPolarHBondContact CA-O 3.35Å; V131-L463 PolarHBondContact N-O 3.32Å; V131-L463 PolarHBondContact O-N 2.86Å; F133-L463 HydrophobicContact CD1-CD1 4.43Å; F133-L463 HydrophobicContact CD1-CG 4.45Å; F133-L463 HydrophobicContact CE1-CD1 3.76Å; F133-L463 HydrophobicContact CE1-CD2 4.34Å; F133-L463 HydrophobicContact CE1-CG 3.7Å; L136-L463 HydrophobicContact CD1-CD1 4.11Å; I204-L463 HydrophobicContact CG2-CD1 4.36Å; L208-L463 HydrophobicContact CD1-CD2 4.34Å; L208-L463 HydrophobicContact CD2-CD2 3.94Å; A457-L463 HydrophobicContact CB-CD2 3.76Å; L463-Y579 HydrophobicContact CB-CD1 3.8Å; L463-Y579 HydrophobicContact CB-CG 4.01Å; L463-Y579 HydrophobicContact CD1-CD1 4.43Å; L463-Y579 HydrophobicContact CD1-CD2 4.18Å; L463-Y579 HydrophobicContact CD1-CG 3.93Å
464L89.9Confident89Confident1 Ų120.9 Ų20.91%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-100.3144.8172.8-72.7177.5000110.8C126 G466 A470 Y579 D580 L582 K585C126-L464 HydrophobicContact CB-CD1 4.11Å; C126-L464 HydrophobicContact CB-CD2 3.9Å; C126-L464 WeakPolarHBondContact O-CD2 3.36Å; L464-G466 PolarHBondContact O-N 2.98Å; L464-A470 HydrophobicContact CB-CB 4.35Å; L464-Y579 CarbonylContact O-C 3.54Å; L464-Y579 WeakPolarHBondContact O-CA 3.2Å; L464-Y579 WeakPolarHBondContact O-CB 3.5Å; L464-Y579 VanDerWaalsContact O-CD1 3.32Å; L464-Y579 WeakPolarHBondContact O-CD1 3.43Å; L464-D580 HydrophobicContact CB-CB 4.39Å; L464-D580 PolarHBondContact N-O 2.85Å; L464-D580 PolarHBondContact O-N 3.48Å; L464-L582 HydrophobicContact CD1-CB 4.49Å; L464-L582 HydrophobicContact CD1-CD1 3.85Å; L464-L582 HydrophobicContact CD2-CD1 3.77Å; L464-L582 HydrophobicContact CG-CB 4.21Å; L464-L582 HydrophobicContact CG-CD1 3.79Å; L464-K585 HydrophobicContact CD1-CB 4Å; L464-K585 HydrophobicContact CD1-CD 3.88Å; L464-K585 HydrophobicContact CD1-CG 4.26Å
465P85.8Confident89.2Confident6 Ų620.9 Ų20.94%0.03912%0.123CC..EExtended strand (participates in β ladder)trans-59.9122.3171.925.2-32.9000110.2A470 L473 F551P465-A470 HydrophobicContact CG-CB 4.43Å; P465-A470 WeakPolarHBondContact O-CB 3.18Å; P465-A470 PolarHBondContact O-N 3.23Å; P465-L473 HydrophobicContact CG-CD1 4.16Å; P465-F551 HydrophobicContact CB-CE1 3.69Å; P465-F551 HydrophobicContact CG-CD1 4.45Å; P465-F551 HydrophobicContact CG-CE1 3.61Å; P465-F551 HydrophobicContact CG-CZ 4.36Å
466G85.8Confident89.1Confident2 Ų220 Ų202%0.02112%0.119CC..THydrogen-bonded Turntrans-85.6-161.8-177.100000113.4L464 G468 G469 I578 D580L464-G466 PolarHBondContact O-N 2.98Å; G466-G468 PolarHBondContact O-N 3.38Å; G466-G468 VanDerWaalsContact O-N 3.11Å; G466-G469 PolarHBondContact O-N 3.48Å; G466-I578 VanDerWaalsContact CA-O 3.3Å; G466-I578 WeakPolarHBondContact CA-O 3.46Å; G466-I578 PolarHBondContact N-O 3.28Å; G466-D580 VanDerWaalsContact CA-OD2 3.26Å; G466-D580 WeakPolarHBondContact CA-OD2 3.42Å
467A80.6Confident89.1Confident62 Ų6222.1 Ų22.151%0.51213%0.129SC..THydrogen-bonded Turntrans54.628.7178.900000114.8I578A467-I578 HydrophobicContact CB-CD1 4.37Å
468G84.2Confident89.3Confident7 Ų722.1 Ų22.17%0.07213%0.129CC..THydrogen-bonded Turntrans89.5-0.7-177.100000114.5G466 E471 L472G466-G468 PolarHBondContact O-N 3.38Å; G466-G468 VanDerWaalsContact O-N 3.11Å; G468-E471 VanDerWaalsContact CA-OE2 3.25Å; G468-E471 WeakPolarHBondContact CA-OE2 3.48Å; G468-E471 PolarHBondContact O-N 3.01Å; G468-L472 WeakPolarHBondContact O-CB 2.99Å; G468-L472 PolarHBondContact O-N 3.32Å
469G84.3Confident89.5Confident4 Ų421.1 Ų21.14%0.04112%0.123CC..Hα-helixtrans-62.9-47.1-17900000113.2G466 E471 L472 L473 F551G466-G469 PolarHBondContact O-N 3.48Å; G469-E471 VanDerWaalsContact C-N 3.32Å; G469-E471 PolarHBondContact O-N 3.18Å; G469-L472 PolarHBondContact O-N 3.09Å; G469-L473 PolarHBondContact O-N 3.49Å; G469-F551 WeakPolarHBondContact O-CZ 3.42Å
470A89.9Confident89.5Confident2 Ų218.2 Ų18.22%0.01711%0.11CC..Hα-helixtrans-60.1-42176.200000112.2L464 P465 L473 C474 K585L464-A470 HydrophobicContact CB-CB 4.35Å; P465-A470 HydrophobicContact CG-CB 4.43Å; P465-A470 WeakPolarHBondContact O-CB 3.18Å; P465-A470 PolarHBondContact O-N 3.23Å; A470-L473 PolarHBondContact O-N 2.9Å; A470-C474 PolarHBondContact O-N 3.19Å; A470-C474 PolarHBondContact O-SG 3.42Å; A470-K585 HydrophobicContact CB-CD 4.17Å
471E94.2Very high89.5Confident0 Ų018.7 Ų18.70%011%0.111CC..Hα-helixtrans-63.7-41.6176.6-68.977.3-174.700111.5G468 G469 C474 V475 L511 Y514 I515 K585 W589G468-E471 VanDerWaalsContact CA-OE2 3.25Å; G468-E471 WeakPolarHBondContact CA-OE2 3.48Å; G468-E471 PolarHBondContact O-N 3.01Å; G469-E471 VanDerWaalsContact C-N 3.32Å; G469-E471 PolarHBondContact O-N 3.18Å; E471-C474 WeakPolarHBondContact O-CB 3.49Å; E471-C474 PolarHBondContact O-N 3.49Å; E471-V475 VanDerWaalsContact O-CG2 3.32Å; E471-V475 WeakPolarHBondContact O-CG2 3.42Å; E471-V475 PolarHBondContact O-N 3.18Å; E471-L511 HydrophobicContact CB-CD2 4.26Å; E471-L511 HydrophobicContact CG-CD2 4.01Å; E471-Y514 HydrophobicContact CG-CD1 3.75Å; E471-Y514 HydrophobicContact CG-CE1 3.96Å; E471-Y514 WeakPolarHBondContact OE1-CE1 3.41Å; E471-I515 HydrophobicContact CB-CD1 3.76Å; E471-I515 HydrophobicContact CB-CG1 3.75Å; E471-K585 WeakPolarHBondContact OE1-CE 3.36Å; E471-K585 IonicContact OE1-NZ 3.93Å; E471-K585 PolarHBondContact OE1-NZ 3.38Å; E471-K585 IonicContact OE2-NZ 3.52Å; E471-K585 PolarHBondContact OE2-NZ 3Å; E471-W589 HydrophobicContact CG-CZ2 3.86Å
472L90.5Very high89.5Confident7 Ų717.3 Ų17.34%0.03710%0.097CC..Hα-helixtrans-64.4-40.8-179.9-167.863000112.2G468 G469 C474 V475 H476 I515 V534 Q537 L538 F541G468-L472 WeakPolarHBondContact O-CB 2.99Å; G468-L472 PolarHBondContact O-N 3.32Å; G469-L472 PolarHBondContact O-N 3.09Å; L472-C474 VanDerWaalsContact C-N 3.32Å; L472-C474 PolarHBondContact O-N 3.2Å; L472-V475 PolarHBondContact O-N 3.36Å; L472-H476 PolarHBondContact O-N 3.37Å; L472-I515 HydrophobicContact CB-CD1 4.13Å; L472-I515 HydrophobicContact CD1-CD1 4.21Å; L472-V534 HydrophobicContact CD1-CG1 4.11Å; L472-Q537 HydrophobicContact CD2-CB 4.15Å; L472-L538 HydrophobicContact CD1-CD1 4.48Å; L472-L538 HydrophobicContact CD1-CD2 3.6Å; L472-L538 HydrophobicContact CD1-CG 3.75Å; L472-L538 HydrophobicContact CG-CD2 4.37Å; L472-F541 HydrophobicContact CD2-CD2 4.38Å; L472-F541 HydrophobicContact CD2-CE2 3.52Å; L472-F541 HydrophobicContact CD2-CZ 4.28Å; L472-F541 HydrophobicContact CG-CD2 4.4Å; L472-F541 HydrophobicContact CG-CE2 3.92Å
473L89.9Confident89.2Confident7 Ų720.9 Ų20.94%0.03711%0.111CC..Hα-helixtrans-60.2-42.8172.4-74.1168000111.8V125 F129 P465 G469 A470 H476 Q477 I546 F551V125-L473 HydrophobicContact CG1-CB 3.64Å; F129-L473 HydrophobicContact CB-CD1 3.67Å; F129-L473 HydrophobicContact CD1-CD1 4.06Å; F129-L473 HydrophobicContact CD1-CD2 4.27Å; F129-L473 HydrophobicContact CD2-CD1 4.07Å; F129-L473 HydrophobicContact CD2-CD2 4.39Å; F129-L473 HydrophobicContact CE1-CD2 4.14Å; F129-L473 HydrophobicContact CE2-CD2 4.26Å; F129-L473 HydrophobicContact CG-CD1 3.68Å; F129-L473 HydrophobicContact CG-CD2 4.39Å; F129-L473 HydrophobicContact CZ-CD2 4.13Å; P465-L473 HydrophobicContact CG-CD1 4.16Å; G469-L473 PolarHBondContact O-N 3.49Å; A470-L473 PolarHBondContact O-N 2.9Å; L473-H476 PolarHBondContact O-N 3.4Å; L473-Q477 PolarHBondContact O-N 3.21Å; L473-I546 HydrophobicContact CD2-CG2 4.31Å; L473-F551 HydrophobicContact CD1-CD1 4.02Å; L473-F551 HydrophobicContact CD1-CD2 4.29Å; L473-F551 HydrophobicContact CD1-CE1 3.64Å; L473-F551 HydrophobicContact CD1-CE2 3.94Å; L473-F551 HydrophobicContact CD1-CG 4.33Å; L473-F551 HydrophobicContact CD1-CZ 3.59Å; L473-F551 HydrophobicContact CD2-CD1 4.49Å; L473-F551 HydrophobicContact CD2-CD2 3.43Å; L473-F551 VanDerWaalsContact CD2-CD2 3.43Å; L473-F551 HydrophobicContact CD2-CE2 3.49Å; L473-F551 VanDerWaalsContact CD2-CE2 3.49Å; L473-F551 HydrophobicContact CD2-CG 3.97Å; L473-F551 HydrophobicContact CD2-CZ 4.06Å; L473-F551 HydrophobicContact CG-CD1 4.5Å; L473-F551 HydrophobicContact CG-CD2 3.89Å; L473-F551 HydrophobicContact CG-CE1 4.09Å; L473-F551 HydrophobicContact CG-CE2 3.41Å; L473-F551 VanDerWaalsContact CG-CE2 3.41Å; L473-F551 HydrophobicContact CG-CG 4.41Å; L473-F551 HydrophobicContact CG-CZ 3.52Å
474C94.3Very high88.5Confident0 Ų025.4 Ų25.40%013%0.132CC..Hα-helixtrans-65.2-42.5177.8-65.70000111.2C122 A470 E471 L472 H476 Q477 L478 L511 W589C122-C474 HydrophobicContact CB-CB 4.19Å; A470-C474 PolarHBondContact O-N 3.19Å; A470-C474 PolarHBondContact O-SG 3.42Å; E471-C474 WeakPolarHBondContact O-CB 3.49Å; E471-C474 PolarHBondContact O-N 3.49Å; L472-C474 VanDerWaalsContact C-N 3.32Å; L472-C474 PolarHBondContact O-N 3.2Å; C474-H476 PolarHBondContact O-N 3.17Å; C474-Q477 PolarHBondContact O-N 2.89Å; C474-L478 WeakPolarHBondContact O-CB 3.39Å; C474-L478 VanDerWaalsContact O-CG 3.25Å; C474-L478 WeakPolarHBondContact O-CG 3.41Å; C474-L478 PolarHBondContact O-N 2.95Å; C474-L511 HydrophobicContact CB-CD1 3.82Å; C474-W589 VanDerWaalsContact SG-CZ3 3.52Å
475V94.8Very high87.3Confident0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans-57.4-49.7175.1171.30000111E471 L472 Q477 L478 Q479 A508 L511 I512 L538E471-V475 VanDerWaalsContact O-CG2 3.32Å; E471-V475 WeakPolarHBondContact O-CG2 3.42Å; E471-V475 PolarHBondContact O-N 3.18Å; L472-V475 PolarHBondContact O-N 3.36Å; V475-Q477 PolarHBondContact O-N 2.68Å; V475-L478 PolarHBondContact O-N 3.21Å; V475-Q479 HydrophobicContact CG1-CG 4.43Å; V475-Q479 WeakPolarHBondContact O-CB 3.49Å; V475-Q479 VanDerWaalsContact O-CG 3.31Å; V475-Q479 WeakPolarHBondContact O-CG 3.37Å; V475-Q479 PolarHBondContact O-N 3.12Å; V475-A508 HydrophobicContact CG1-CB 4.28Å; V475-L511 HydrophobicContact CG2-CB 3.47Å; V475-L511 VanDerWaalsContact CG2-CB 3.47Å; V475-L511 HydrophobicContact CG2-CD1 4.09Å; V475-L511 HydrophobicContact CG2-CG 4.44Å; V475-I512 HydrophobicContact CG1-CD1 3.83Å; V475-I512 HydrophobicContact CG1-CG1 3.81Å; V475-I512 HydrophobicContact CG2-CG1 3.87Å; V475-L538 HydrophobicContact CB-CD2 4.12Å; V475-L538 HydrophobicContact CG1-CD1 3.72Å; V475-L538 HydrophobicContact CG1-CD2 3.57Å; V475-L538 HydrophobicContact CG1-CG 4.3Å
476H91Very high86.2Confident17 Ų1733 Ų338%0.07916%0.162CC..Hα-helixtrans-58.2-47.4178.7174.578.2000111.6L472 L473 C474 Q479 K480 L538 F541L472-H476 PolarHBondContact O-N 3.37Å; L473-H476 PolarHBondContact O-N 3.4Å; C474-H476 PolarHBondContact O-N 3.17Å; H476-Q479 PolarHBondContact O-N 3.27Å; H476-K480 WeakPolarHBondContact O-CB 3.22Å; H476-K480 PolarHBondContact O-N 3.15Å; H476-L538 HydrophobicContact CB-CD2 4.41Å; H476-F541 PolarHBondContact CE1-O 3.39Å
477Q92Very high84.9Confident55 Ų5538 Ų3826%0.25719%0.191SC..Hα-helixtrans-66.9-40.9-178.9-173.565.97.700112.3I121 V125 L473 C474 V475 K480 Q481I121-Q477 HydrophobicContact CG2-CB 4.25Å; I121-Q477 HydrophobicContact CG2-CG 3.52Å; V125-Q477 HydrophobicContact CG2-CB 3.67Å; V125-Q477 HydrophobicContact CG2-CG 3.67Å; L473-Q477 PolarHBondContact O-N 3.21Å; C474-Q477 PolarHBondContact O-N 2.89Å; V475-Q477 PolarHBondContact O-N 2.68Å; Q477-K480 PolarHBondContact O-N 2.6Å; Q477-Q481 WeakPolarHBondContact O-CB 3.15Å; Q477-Q481 VanDerWaalsContact O-CG 3.25Å; Q477-Q481 WeakPolarHBondContact O-CG 3.49Å; Q477-Q481 PolarHBondContact O-N 2.91Å
478L94.3Very high83.7Confident0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-61.7-43.8175.5-73.8172.7000111.8I121 C474 V475 Q481 A482 L504 M507 A508 L511I121-L478 HydrophobicContact CB-CD2 4.3Å; I121-L478 HydrophobicContact CD1-CD2 4.41Å; I121-L478 HydrophobicContact CG2-CD2 4.16Å; C474-L478 WeakPolarHBondContact O-CB 3.39Å; C474-L478 VanDerWaalsContact O-CG 3.25Å; C474-L478 WeakPolarHBondContact O-CG 3.41Å; C474-L478 PolarHBondContact O-N 2.95Å; V475-L478 PolarHBondContact O-N 3.21Å; L478-Q481 PolarHBondContact O-N 3.17Å; L478-A482 WeakPolarHBondContact O-CB 3.44Å; L478-A482 PolarHBondContact O-N 3.07Å; L478-L504 HydrophobicContact CD2-CB 4.49Å; L478-L504 HydrophobicContact CD2-CD2 3.86Å; L478-M507 HydrophobicContact CD1-CB 4.44Å; L478-A508 HydrophobicContact CB-CB 4.08Å; L478-A508 HydrophobicContact CD1-CB 4.07Å; L478-L511 HydrophobicContact CD1-CD1 3.89Å
479Q91.9Very high82.1Confident41 Ų4143.5 Ų43.519%0.19220%0.204CC..Hα-helixtrans-64.9-44.4177.7-73.6175.7-23.500111.6V475 H476 Q481 A482 E483 A508V475-Q479 HydrophobicContact CG1-CG 4.43Å; V475-Q479 WeakPolarHBondContact O-CB 3.49Å; V475-Q479 VanDerWaalsContact O-CG 3.31Å; V475-Q479 WeakPolarHBondContact O-CG 3.37Å; V475-Q479 PolarHBondContact O-N 3.12Å; H476-Q479 PolarHBondContact O-N 3.27Å; Q479-Q481 PolarHBondContact O-N 2.83Å; Q479-A482 WeakPolarHBondContact O-CB 3.09Å; Q479-A482 PolarHBondContact O-N 3.36Å; Q479-E483 WeakPolarHBondContact O-CG 3.33Å; Q479-E483 PolarHBondContact O-N 3.23Å; Q479-A508 HydrophobicContact CG-CB 4.27Å
480K89.2Confident80.7Confident84 Ų8447.9 Ų47.937%0.36523%0.234SC..Hα-helixtrans-57.6-47.4174.7-176.9176-178.8172.50111.6H476 Q477 A482 E483 H484H476-K480 WeakPolarHBondContact O-CB 3.22Å; H476-K480 PolarHBondContact O-N 3.15Å; Q477-K480 PolarHBondContact O-N 2.6Å; K480-A482 VanDerWaalsContact C-N 3.31Å; K480-A482 PolarHBondContact O-N 3.34Å; K480-E483 PolarHBondContact O-N 3.27Å; K480-H484 PolarHBondContact O-CD2 3.08Å; K480-H484 PolarHBondContact O-N 3.47Å
481Q89.1Confident78.9Confident57 Ų5756.6 Ų56.627%0.26627%0.271SS..Hα-helixtrans-64.3-36178.3-68.4-66.1-20.700112.3I121 Q477 L478 Q479 L504I121-Q481 HydrophobicContact CD1-CB 4.34Å; I121-Q481 HydrophobicContact CD1-CG 4.14Å; Q477-Q481 WeakPolarHBondContact O-CB 3.15Å; Q477-Q481 VanDerWaalsContact O-CG 3.25Å; Q477-Q481 WeakPolarHBondContact O-CG 3.49Å; Q477-Q481 PolarHBondContact O-N 2.91Å; L478-Q481 PolarHBondContact O-N 3.17Å; Q479-Q481 PolarHBondContact O-N 2.83Å; Q481-L504 HydrophobicContact CB-CD1 4.2Å
482A88.3Confident77Confident0 Ų063.2 Ų63.20%031%0.312CS..Hα-helixtrans-69.2-32.5175.300000113.8L478 Q479 K480 G501 L504 Q505L478-A482 WeakPolarHBondContact O-CB 3.44Å; L478-A482 PolarHBondContact O-N 3.07Å; Q479-A482 WeakPolarHBondContact O-CB 3.09Å; Q479-A482 PolarHBondContact O-N 3.36Å; K480-A482 VanDerWaalsContact C-N 3.31Å; K480-A482 PolarHBondContact O-N 3.34Å; A482-G501 VanDerWaalsContact CB-O 3.23Å; A482-G501 WeakPolarHBondContact CB-O 3.42Å; A482-L504 HydrophobicContact CB-CB 4.25Å; A482-Q505 HydrophobicContact CB-CG 3.67Å
483E83.1Confident75.2Confident86 Ų8664.7 Ų64.740%0.40233%0.329SS..Hα-helixtrans-74.9-38.4176.4-73.6175.317300112.4Q479 K480 D485 R486 V487 H542Q479-E483 WeakPolarHBondContact O-CG 3.33Å; Q479-E483 PolarHBondContact O-N 3.23Å; K480-E483 PolarHBondContact O-N 3.27Å; E483-D485 PolarHBondContact O-N 3.41Å; E483-R486 WeakPolarHBondContact O-CB 3.39Å; E483-R486 PolarHBondContact O-N 2.88Å; E483-R486 VanDerWaalsContact O-N 3.09Å; E483-V487 PolarHBondContact O-N 3.3Å; E483-H542 IonicContact OE1-CE1 3.2Å; E483-H542 IonicContact OE2-CE1 3.02Å
484H74.5Confident73.9Confident95 Ų9567.8 Ų67.844%0.4435%0.351SS..Hα-helixtrans-58-34.4175.7-89.9-109.7000112.5K480 K488K480-H484 PolarHBondContact O-CD2 3.08Å; K480-H484 PolarHBondContact O-N 3.47Å; H484-K488 PolarHBondContact O-N 2.93Å
485D65Low72.5Confident20 Ų2070.3 Ų70.311%0.10737%0.372CS..Hα-helixtrans-66.1-43.7174.9-69.6-9.5000111.6E483 V487 K488 D489 R500E483-D485 PolarHBondContact O-N 3.41Å; D485-V487 VanDerWaalsContact C-N 3.28Å; D485-V487 PolarHBondContact O-N 3.23Å; D485-K488 PolarHBondContact O-N 3.36Å; D485-D489 PolarHBondContact O-N 3.23Å; D485-D489 VanDerWaalsContact O-N 3.14Å; D485-R500 IonicContact OD1-NH1 3.66Å; D485-R500 PolarHBondContact OD1-NH1 2.91Å; D485-R500 VanDerWaalsContact OD1-NH1 3.14Å; D485-R500 WeakPolarHBondContact OD2-CD 3.31Å; D485-R500 IonicContact OD2-CZ 2.75Å; D485-R500 IonicContact OD2-NE 2.98Å; D485-R500 IonicContact OD2-NH1 3.23Å; D485-R500 PolarHBondContact OD2-NH1 2.8Å
486R62.7Low71.3Confident148 Ų14872.1 Ų72.156%0.55839%0.387SS*.Hα-helixtrans-61.7-34.8178.3-67.8-177.1173.2-172.60.5113E483 Q505E483-R486 WeakPolarHBondContact O-CB 3.39Å; E483-R486 PolarHBondContact O-N 2.88Å; E483-R486 VanDerWaalsContact O-N 3.09Å; R486-Q505 VanDerWaalsContact NH2-OE1 3.09Å
487V59.5Low70.6Confident105 Ų10574.4 Ų74.464%0.63640%0.399SS*.Hα-helixtrans-78.1-39.8-178.41780000111.5E483 D485 D489 S490E483-V487 PolarHBondContact O-N 3.3Å; D485-V487 VanDerWaalsContact C-N 3.28Å; D485-V487 PolarHBondContact O-N 3.23Å; V487-D489 VanDerWaalsContact C-N 3.29Å; V487-D489 PolarHBondContact O-N 3.41Å; V487-S490 PolarHBondContact O-N 2.93Å; V487-S490 PolarHBondContact O-OG 2.9Å
488K54.8Low70Confident153 Ų15376.6 Ų76.667%0.66541%0.412SS*.Hα-helixtrans-67.7-27.5176.6-76.9-178.2176.9178.50113.1H484 D485 S490 K491H484-K488 PolarHBondContact O-N 2.93Å; D485-K488 PolarHBondContact O-N 3.36Å; K488-S490 PolarHBondContact O-N 3.41Å; K488-K491 PolarHBondContact O-N 3.29Å
489D51.8Low69.8Low33 Ų3380.5 Ų80.518%0.17643%0.428CS..Hα-helixtrans-68-14.6179.2-76.2-20.1000114.4D485 V487 K491 G493D485-D489 PolarHBondContact O-N 3.23Å; D485-D489 VanDerWaalsContact O-N 3.14Å; V487-D489 VanDerWaalsContact C-N 3.29Å; V487-D489 PolarHBondContact O-N 3.41Å; D489-K491 PolarHBondContact O-N 2.94Å; D489-K491 VanDerWaalsContact O-N 3.11Å; D489-G493 WeakPolarHBondContact OD1-CA 3.28Å
490S53Low69.8Low96 Ų9680.1 Ų80.167%0.67143%0.425SS*.Hα-helixtrans-65.2-11.5175.163.90000114.3V487 K488V487-S490 PolarHBondContact O-N 2.93Å; V487-S490 PolarHBondContact O-OG 2.9Å; K488-S490 PolarHBondContact O-N 3.41Å
491K53.2Low69.9Low185 Ų18576.3 Ų76.380%0.80441%0.409SS*.Hα-helixtrans-121.7-23.2-177.4-68.9-177.5-179.9179.70115.8K488 D489K488-K491 PolarHBondContact O-N 3.29Å; D489-K491 PolarHBondContact O-N 2.94Å; D489-K491 VanDerWaalsContact O-N 3.11Å
492T54.2Low70.2Confident139 Ų13975.2 Ų75.285%0.85341%0.405SS*.Hα-helixtrans-165.627179.837.40000115.8S494T492-S494 PolarHBondContact O-N 2.96Å
493G53.6Low70.6Confident38 Ų3875.2 Ų75.239%0.39241%0.405SS..  trans-66.4124.5-164.700000118.3D489D489-G493 WeakPolarHBondContact OD1-CA 3.28Å
494S61.8Low71.2Confident71 Ų7171.1 Ų71.150%0.49739%0.385SS..  trans-81.5143.3167.9172.60000110.8T492 A496 N497T492-S494 PolarHBondContact O-N 2.96Å; S494-A496 PolarHBondContact O-N 3.02Å; S494-N497 PolarHBondContact O-N 3.05Å
495A65.3Low72.2Confident54 Ų5469.1 Ų69.145%0.44638%0.377SS..Hα-helixtrans-52.2-24.5178.700000114.2N497 L498 Y499A495-N497 PolarHBondContact O-N 3.3Å; A495-L498 PolarHBondContact O-N 2.92Å; A495-Y499 HydrophobicContact CB-CE2 4.23Å; A495-Y499 WeakPolarHBondContact O-CD2 3.16Å; A495-Y499 PolarHBondContact O-N 2.93Å
496A69.4Low73.8Confident38 Ų3869.7 Ų69.731%0.31438%0.379SS..Hα-helixtrans-62.7-36.2175.600000113.5S494 Y499 R500S494-A496 PolarHBondContact O-N 3.02Å; A496-Y499 PolarHBondContact O-N 3.41Å; A496-R500 WeakPolarHBondContact O-CB 3.31Å; A496-R500 PolarHBondContact O-N 2.98Å
497N75.4Confident75.4Confident64 Ų6462.7 Ų62.734%0.34235%0.353SS..Hα-helixtrans-71.2-37.1179.7-66.4-17.5000111.9S494 A495 R500 G501S494-N497 PolarHBondContact O-N 3.05Å; A495-N497 PolarHBondContact O-N 3.3Å; N497-R500 WeakPolarHBondContact O-CB 3.39Å; N497-R500 PolarHBondContact O-N 3.13Å; N497-G501 PolarHBondContact O-N 3.11Å
498L80.6Confident77.2Confident101 Ų10157.7 Ų57.753%0.52932%0.323SS..Hα-helixtrans-63.6-43.6175.2-80.9156.3000111.9A495 L502A495-L498 PolarHBondContact O-N 2.92Å; L498-L502 WeakPolarHBondContact O-CB 3.48Å; L498-L502 PolarHBondContact O-N 2.66Å
499Y88.9Confident79.2Confident83 Ų8351.7 Ų51.733%0.32530%0.304SS..Hα-helixtrans-66.3-41.3176.3-63-38.9000111.9I106 A495 A496 L502 V503I106-Y499 HydrophobicContact CB-CD1 4.49Å; I106-Y499 HydrophobicContact CD1-CD1 3.85Å; I106-Y499 HydrophobicContact CD1-CG 4.37Å; I106-Y499 HydrophobicContact CG1-CD1 3.64Å; I106-Y499 HydrophobicContact CG1-CE1 4.05Å; I106-Y499 HydrophobicContact CG1-CG 4.23Å; I106-Y499 HydrophobicContact CG2-CD1 4.32Å; I106-Y499 HydrophobicContact CG2-CG 4.05Å; A495-Y499 HydrophobicContact CB-CE2 4.23Å; A495-Y499 WeakPolarHBondContact O-CD2 3.16Å; A495-Y499 PolarHBondContact O-N 2.93Å; A496-Y499 PolarHBondContact O-N 3.41Å; Y499-L502 PolarHBondContact O-N 2.74Å; Y499-V503 VanDerWaalsContact O-CG2 3.25Å; Y499-V503 WeakPolarHBondContact O-CG2 3.28Å; Y499-V503 PolarHBondContact O-N 3.24Å
500R92.2Very high81.3Confident33 Ų3350.2 Ų50.213%0.12530%0.297CS..Hα-helixtrans-54.6-60.4174.4179.8-171.5176.2-88.62111.3A114 E117 D485 A496 N497 L502 V503 L504A114-R500 HydrophobicContact CB-CB 4.49Å; A114-R500 HydrophobicContact CB-CG 4.46Å; E117-R500 IonicContact OE1-CZ 3.06Å; E117-R500 IonicContact OE1-NE 2.73Å; E117-R500 PolarHBondContact OE1-NE 3.27Å; E117-R500 IonicContact OE1-NH2 3.95Å; E117-R500 PolarHBondContact OE1-NH2 3.1Å; E117-R500 WeakPolarHBondContact OE2-CD 3.35Å; E117-R500 IonicContact OE2-CZ 3.94Å; E117-R500 IonicContact OE2-NE 3.74Å; E117-R500 PolarHBondContact OE2-NE 3.45Å; E117-R500 IonicContact OE2-NH2 3.01Å; D485-R500 IonicContact OD1-NH1 3.66Å; D485-R500 PolarHBondContact OD1-NH1 2.91Å; D485-R500 VanDerWaalsContact OD1-NH1 3.14Å; D485-R500 WeakPolarHBondContact OD2-CD 3.31Å; D485-R500 IonicContact OD2-CZ 2.75Å; D485-R500 IonicContact OD2-NE 2.98Å; D485-R500 IonicContact OD2-NH1 3.23Å; D485-R500 PolarHBondContact OD2-NH1 2.8Å; A496-R500 WeakPolarHBondContact O-CB 3.31Å; A496-R500 PolarHBondContact O-N 2.98Å; N497-R500 WeakPolarHBondContact O-CB 3.39Å; N497-R500 PolarHBondContact O-N 3.13Å; R500-L502 PolarHBondContact O-N 3.3Å; R500-V503 PolarHBondContact O-N 3.4Å; R500-V503 VanDerWaalsContact O-N 3.12Å; R500-L504 HydrophobicContact CG-CD1 4.15Å; R500-L504 HydrophobicContact CG-CG 4.48Å; R500-L504 WeakPolarHBondContact O-CG 3.34Å; R500-L504 PolarHBondContact O-N 3.05Å
501G92.6Very high83.4Confident4 Ų445.7 Ų45.74%0.04127%0.265CS..Hα-helixtrans-58.1-37.1-177.300000113A482 N497 Q505A482-G501 VanDerWaalsContact CB-O 3.23Å; A482-G501 WeakPolarHBondContact CB-O 3.42Å; N497-G501 PolarHBondContact O-N 3.11Å; G501-Q505 WeakPolarHBondContact O-CG 3.46Å; G501-Q505 PolarHBondContact O-N 3.21Å; G501-Q505 VanDerWaalsContact O-N 3.1Å
502L94.1Very high85.4Confident33 Ų3338.1 Ų38.117%0.17323%0.234CC..Hα-helixtrans-67.3-44.3176.5175.858.8000113I106 L498 Y499 R500 L504 Q505 L506I106-L502 HydrophobicContact CD1-CD2 3.96Å; L498-L502 WeakPolarHBondContact O-CB 3.48Å; L498-L502 PolarHBondContact O-N 2.66Å; Y499-L502 PolarHBondContact O-N 2.74Å; R500-L502 PolarHBondContact O-N 3.3Å; L502-L504 VanDerWaalsContact C-N 3.33Å; L502-Q505 PolarHBondContact O-N 2.92Å; L502-L506 HydrophobicContact CD1-CD1 4.42Å; L502-L506 HydrophobicContact CD1-CG 4.41Å; L502-L506 HydrophobicContact CG-CD1 4.38Å; L502-L506 WeakPolarHBondContact O-CG 3.13Å; L502-L506 PolarHBondContact O-N 3.27Å
503V96.3Very high87.3Confident0 Ų033 Ų330%020%0.201CC..Hα-helixtrans-63-42.4177.9171.90000110.4I106 A114 M115 Y499 R500 Q505 L506 M507I106-V503 HydrophobicContact CD1-CG2 4.03Å; A114-V503 HydrophobicContact CB-CB 3.7Å; A114-V503 HydrophobicContact CB-CG1 3.69Å; A114-V503 HydrophobicContact CB-CG2 4.15Å; M115-V503 HydrophobicContact CG-CG1 3.45Å; M115-V503 VanDerWaalsContact CG-CG1 3.45Å; Y499-V503 VanDerWaalsContact O-CG2 3.25Å; Y499-V503 WeakPolarHBondContact O-CG2 3.28Å; Y499-V503 PolarHBondContact O-N 3.24Å; R500-V503 PolarHBondContact O-N 3.4Å; R500-V503 VanDerWaalsContact O-N 3.12Å; V503-Q505 VanDerWaalsContact C-N 3.32Å; V503-Q505 PolarHBondContact O-N 3.35Å; V503-L506 PolarHBondContact O-N 3Å; V503-L506 VanDerWaalsContact O-N 3.14Å; V503-M507 WeakPolarHBondContact O-CG 3.21Å; V503-M507 PolarHBondContact O-N 3.28Å
504L97Very high89.2Confident0 Ų032.3 Ų32.30%019%0.187CC..Hα-helixtrans-59.6-40.7175.7-64.5179.7000112.1A114 I121 L478 Q481 A482 R500 L502 M507 A508A114-L504 WeakPolarHBondContact O-CD2 3.34Å; I121-L504 HydrophobicContact CD1-CD1 4.36Å; I121-L504 HydrophobicContact CD1-CD2 4.37Å; L478-L504 HydrophobicContact CD2-CB 4.49Å; L478-L504 HydrophobicContact CD2-CD2 3.86Å; Q481-L504 HydrophobicContact CB-CD1 4.2Å; A482-L504 HydrophobicContact CB-CB 4.25Å; R500-L504 HydrophobicContact CG-CD1 4.15Å; R500-L504 HydrophobicContact CG-CG 4.48Å; R500-L504 WeakPolarHBondContact O-CG 3.34Å; R500-L504 PolarHBondContact O-N 3.05Å; L502-L504 VanDerWaalsContact C-N 3.33Å; L504-M507 PolarHBondContact O-N 3.01Å; L504-A508 PolarHBondContact O-N 3.27Å
505Q95.8Very high90.6Very high54 Ų5429.4 Ų29.425%0.25217%0.165SC..Hα-helixtrans-62.9-41.5174.3-75.2178.1-9.800112.4A482 R486 G501 L502 V503 A508 G509A482-Q505 HydrophobicContact CB-CG 3.67Å; R486-Q505 VanDerWaalsContact NH2-OE1 3.09Å; G501-Q505 WeakPolarHBondContact O-CG 3.46Å; G501-Q505 PolarHBondContact O-N 3.21Å; G501-Q505 VanDerWaalsContact O-N 3.1Å; L502-Q505 PolarHBondContact O-N 2.92Å; V503-Q505 VanDerWaalsContact C-N 3.32Å; V503-Q505 PolarHBondContact O-N 3.35Å; Q505-A508 PolarHBondContact O-N 3.01Å; Q505-G509 PolarHBondContact O-N 3.11Å; Q505-G509 VanDerWaalsContact O-N 3.11Å
506L96.9Very high91.9Very high31 Ų3126.9 Ų26.916%0.16214%0.144CC..Hα-helixtrans-67.3-38.3177.6-67.9171.1000111.6A97 D100 S101 L502 V503 G509 G510A97-L506 HydrophobicContact CB-CB 3.68Å; D100-L506 HydrophobicContact CB-CD1 4.14Å; D100-L506 HydrophobicContact CB-CD2 4.31Å; S101-L506 WeakPolarHBondContact OG-CD1 3.48Å; L502-L506 HydrophobicContact CD1-CD1 4.42Å; L502-L506 HydrophobicContact CD1-CG 4.41Å; L502-L506 HydrophobicContact CG-CD1 4.38Å; L502-L506 WeakPolarHBondContact O-CG 3.13Å; L502-L506 PolarHBondContact O-N 3.27Å; V503-L506 PolarHBondContact O-N 3Å; V503-L506 VanDerWaalsContact O-N 3.14Å; L506-G509 PolarHBondContact O-N 3.05Å; L506-G510 PolarHBondContact O-N 2.89Å
507M97.5Very high92.9Very high1 Ų125 Ų251%0.00513%0.129CC..Hα-helixtrans-62.3-43.1173.2-73.5-174.378.500112.5W94 M115 L478 V503 L504 G509 G510 L511W94-M507 HydrophobicContact CD2-CE 4.24Å; W94-M507 HydrophobicContact CZ2-CE 4.26Å; W94-M507 PolarHBondContact NE1-O 3.08Å; M115-M507 WeakPolarHBondContact CA-SD 3.37Å; M115-M507 HydrophobicContact CB-CE 4.38Å; M115-M507 HydrophobicContact CB-SD 3.86Å; M115-M507 HydrophobicContact CE-CG 4.34Å; M115-M507 HydrophobicContact CG-CG 4.21Å; M115-M507 HydrophobicContact CG-SD 3.84Å; L478-M507 HydrophobicContact CD1-CB 4.44Å; V503-M507 WeakPolarHBondContact O-CG 3.21Å; V503-M507 PolarHBondContact O-N 3.28Å; L504-M507 PolarHBondContact O-N 3.01Å; M507-G509 PolarHBondContact O-N 3.34Å; M507-G510 PolarHBondContact O-N 3.35Å; M507-L511 PolarHBondContact O-N 3.42Å
508A97.1Very high93.6Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-59-36.5174.900000111.5V475 L478 Q479 L504 Q505 G510 L511 I512V475-A508 HydrophobicContact CG1-CB 4.28Å; L478-A508 HydrophobicContact CB-CB 4.08Å; L478-A508 HydrophobicContact CD1-CB 4.07Å; Q479-A508 HydrophobicContact CG-CB 4.27Å; L504-A508 PolarHBondContact O-N 3.27Å; Q505-A508 PolarHBondContact O-N 3.01Å; A508-G510 VanDerWaalsContact C-N 3.3Å; A508-G510 PolarHBondContact O-N 3.48Å; A508-L511 PolarHBondContact O-N 2.61Å; A508-I512 WeakPolarHBondContact O-CG1 3.32Å; A508-I512 PolarHBondContact O-N 2.95Å
509G96.4Very high93.9Very high27 Ų2719.7 Ų19.728%0.27810%0.101SC..Hα-helixtrans-56.6-39.1172.400000113.8Q505 L506 M507 L511 I512 D513Q505-G509 PolarHBondContact O-N 3.11Å; Q505-G509 VanDerWaalsContact O-N 3.11Å; L506-G509 PolarHBondContact O-N 3.05Å; M507-G509 PolarHBondContact O-N 3.34Å; G509-L511 PolarHBondContact O-N 3.39Å; G509-I512 PolarHBondContact O-N 2.99Å; G509-D513 PolarHBondContact O-N 3.48Å
510G96.1Very high93.9Very high3 Ų317.7 Ų17.73%0.03110%0.098CC..Hα-helixtrans-64.2-37.717600000113.6L506 M507 A508 Y514L506-G510 PolarHBondContact O-N 2.89Å; M507-G510 PolarHBondContact O-N 3.35Å; A508-G510 VanDerWaalsContact C-N 3.3Å; A508-G510 PolarHBondContact O-N 3.48Å; G510-Y514 PolarHBondContact O-N 3.44Å; G510-Y514 VanDerWaalsContact O-N 3.14Å
511L96.2Very high93.7Very high0 Ų017.5 Ų17.50%010%0.099CC..Hα-helixtrans-70.4-39.8174.8-69.6166.3000111.6L90 W94 E471 C474 V475 L478 M507 A508 G509 D513 Y514 I515 W589L90-L511 HydrophobicContact CD1-CD2 4.25Å; L90-L511 HydrophobicContact CD2-CD2 3.8Å; L90-L511 HydrophobicContact CD2-CG 4.45Å; W94-L511 HydrophobicContact CZ2-CD2 4.49Å; E471-L511 HydrophobicContact CB-CD2 4.26Å; E471-L511 HydrophobicContact CG-CD2 4.01Å; C474-L511 HydrophobicContact CB-CD1 3.82Å; V475-L511 HydrophobicContact CG2-CB 3.47Å; V475-L511 VanDerWaalsContact CG2-CB 3.47Å; V475-L511 HydrophobicContact CG2-CD1 4.09Å; V475-L511 HydrophobicContact CG2-CG 4.44Å; L478-L511 HydrophobicContact CD1-CD1 3.89Å; M507-L511 PolarHBondContact O-N 3.42Å; A508-L511 PolarHBondContact O-N 2.61Å; G509-L511 PolarHBondContact O-N 3.39Å; L511-D513 VanDerWaalsContact C-N 3.33Å; L511-D513 PolarHBondContact O-N 2.96Å; L511-Y514 WeakPolarHBondContact O-CB 3.25Å; L511-Y514 PolarHBondContact O-N 3.37Å; L511-Y514 VanDerWaalsContact O-N 3.15Å; L511-I515 WeakPolarHBondContact O-CG1 3.46Å; L511-I515 PolarHBondContact O-N 3.44Å; L511-W589 HydrophobicContact CD2-CZ2 4.37Å
512I95.3Very high93.3Very high27 Ų2719.1 Ų19.114%0.13811%0.108CC..Hα-helixtrans-60.9-43.5173.6-67.4167.5000110.8V475 A508 G509 Y514 I515 T516 V534 L538V475-I512 HydrophobicContact CG1-CD1 3.83Å; V475-I512 HydrophobicContact CG1-CG1 3.81Å; V475-I512 HydrophobicContact CG2-CG1 3.87Å; A508-I512 WeakPolarHBondContact O-CG1 3.32Å; A508-I512 PolarHBondContact O-N 2.95Å; G509-I512 PolarHBondContact O-N 2.99Å; I512-Y514 VanDerWaalsContact C-N 3.25Å; I512-Y514 PolarHBondContact O-N 2.89Å; I512-I515 PolarHBondContact O-N 3.43Å; I512-T516 WeakPolarHBondContact O-CB 3.4Å; I512-T516 PolarHBondContact O-N 3.15Å; I512-T516 PolarHBondContact O-OG1 3.35Å; I512-V534 HydrophobicContact CG1-CG1 4.45Å; I512-V534 HydrophobicContact CG2-CG1 4.16Å; I512-L538 HydrophobicContact CD1-CD1 4.1Å; I512-L538 HydrophobicContact CG1-CD1 4.38Å
513D94.4Very high92.8Very high30 Ų3020.9 Ų20.916%0.1614%0.135CC..Hα-helixtrans-59.3-38175.3-83.4-9.9000111.7F89 R96 G509 L511 A517 R531F89-D513 HydrophobicContact CE1-CB 4.12Å; F89-D513 HydrophobicContact CZ-CB 4.29Å; F89-D513 WeakPolarHBondContact CZ-O 3.31Å; R96-D513 IonicContact CZ-OD2 3.25Å; R96-D513 IonicContact NE-OD2 2.87Å; R96-D513 IonicContact NH2-OD2 3.12Å; R96-D513 PolarHBondContact NH2-OD2 3.5Å; G509-D513 PolarHBondContact O-N 3.48Å; L511-D513 VanDerWaalsContact C-N 3.33Å; L511-D513 PolarHBondContact O-N 2.96Å; D513-A517 VanDerWaalsContact O-CB 3.32Å; D513-A517 WeakPolarHBondContact O-CB 3.43Å; D513-A517 PolarHBondContact O-N 3.25Å; D513-R531 IonicContact OD1-CZ 2.77Å; D513-R531 IonicContact OD1-NE 3.99Å; D513-R531 IonicContact OD1-NH2 3.68Å; D513-R531 PolarHBondContact OD1-NH2 2.82Å
514Y94.1Very high92.1Very high25 Ų2529.6 Ų29.610%0.09817%0.168CC..Hα-helixtrans-65.2-51.6177.3175.6-93.6000111.6V29 C86 F89 L90 E471 G510 L511 I512 T516 A517 V518V29-Y514 HydrophobicContact CG1-CD2 4Å; V29-Y514 HydrophobicContact CG1-CE2 3.27Å; C86-Y514 HydrophobicContact CB-CE2 3.97Å; F89-Y514 HydrophobicContact CB-CD2 4.07Å; F89-Y514 AromaticContact CD1-CD2 3.59Å; F89-Y514 HydrophobicContact CD1-CD2 3.59Å; F89-Y514 HydrophobicContact CD1-CG 4.14Å; F89-Y514 HydrophobicContact CE1-CD2 4.22Å; F89-Y514 HydrophobicContact CE1-CG 4.41Å; F89-Y514 VanDerWaalsContact CE1-N 3.31Å; F89-Y514 AromaticContact CG-CD2 3.82Å; F89-Y514 HydrophobicContact CG-CD2 3.82Å; L90-Y514 HydrophobicContact CD2-CG 4.44Å; E471-Y514 HydrophobicContact CG-CD1 3.75Å; E471-Y514 HydrophobicContact CG-CE1 3.96Å; E471-Y514 WeakPolarHBondContact OE1-CE1 3.41Å; G510-Y514 PolarHBondContact O-N 3.44Å; G510-Y514 VanDerWaalsContact O-N 3.14Å; L511-Y514 WeakPolarHBondContact O-CB 3.25Å; L511-Y514 PolarHBondContact O-N 3.37Å; L511-Y514 VanDerWaalsContact O-N 3.15Å; I512-Y514 VanDerWaalsContact C-N 3.25Å; I512-Y514 PolarHBondContact O-N 2.89Å; Y514-T516 VanDerWaalsContact C-N 3.28Å; Y514-T516 PolarHBondContact O-N 3.32Å; Y514-A517 PolarHBondContact O-N 3.41Å; Y514-A517 VanDerWaalsContact O-N 3.11Å; Y514-V518 HydrophobicContact CD1-CG2 4.35Å; Y514-V518 HydrophobicContact CE1-CG2 3.98Å; Y514-V518 HydrophobicContact CE2-CG2 4.43Å; Y514-V518 WeakPolarHBondContact O-CG2 3.38Å; Y514-V518 PolarHBondContact O-N 3.29Å
515I92.1Very high91.6Very high9 Ų932.1 Ų32.15%0.04618%0.179CC..Hα-helixtrans-57.4-46.6177.2-60164.1000109.8E471 L472 L511 I512 A517 V518 M519 V534E471-I515 HydrophobicContact CB-CD1 3.76Å; E471-I515 HydrophobicContact CB-CG1 3.75Å; L472-I515 HydrophobicContact CB-CD1 4.13Å; L472-I515 HydrophobicContact CD1-CD1 4.21Å; L511-I515 WeakPolarHBondContact O-CG1 3.46Å; L511-I515 PolarHBondContact O-N 3.44Å; I512-I515 PolarHBondContact O-N 3.43Å; I515-A517 VanDerWaalsContact C-N 3.33Å; I515-A517 PolarHBondContact O-N 3.04Å; I515-V518 PolarHBondContact O-N 2.96Å; I515-M519 HydrophobicContact CG2-SD 4.23Å; I515-M519 WeakPolarHBondContact O-CG 3.35Å; I515-M519 PolarHBondContact O-N 3.23Å; I515-V534 HydrophobicContact CB-CG2 4.31Å; I515-V534 HydrophobicContact CG2-CG2 3.6Å
516T91.7Very high91.4Very high1 Ų133.3 Ų33.31%0.00619%0.189CC..Hα-helixtrans-58.6-43.8177.3-56.60000111.5I512 Y514 M519 V520 A530 R531I512-T516 WeakPolarHBondContact O-CB 3.4Å; I512-T516 PolarHBondContact O-N 3.15Å; I512-T516 PolarHBondContact O-OG1 3.35Å; Y514-T516 VanDerWaalsContact C-N 3.28Å; Y514-T516 PolarHBondContact O-N 3.32Å; T516-M519 PolarHBondContact O-N 2.96Å; T516-V520 HydrophobicContact CG2-CG2 4.37Å; T516-V520 WeakPolarHBondContact O-CB 3.31Å; T516-V520 VanDerWaalsContact O-CG2 3.24Å; T516-V520 WeakPolarHBondContact O-CG2 3.45Å; T516-V520 PolarHBondContact O-N 3.36Å; T516-A530 HydrophobicContact CG2-CB 3.82Å; T516-R531 HydrophobicContact CG2-CG 3.82Å; T516-R531 WeakPolarHBondContact OG1-CG 3.41Å
517A91.3Very high90.9Very high0 Ų034 Ų340%020%0.2CC..Hα-helixtrans-64.9-42.5178.900000112.3R26 F89 D513 Y514 I515 M519 V520 N521R26-A517 HydrophobicContact CG-CB 4.11Å; F89-A517 HydrophobicContact CE2-CB 3.53Å; F89-A517 HydrophobicContact CZ-CB 3.62Å; D513-A517 VanDerWaalsContact O-CB 3.32Å; D513-A517 WeakPolarHBondContact O-CB 3.43Å; D513-A517 PolarHBondContact O-N 3.25Å; Y514-A517 PolarHBondContact O-N 3.41Å; Y514-A517 VanDerWaalsContact O-N 3.11Å; I515-A517 VanDerWaalsContact C-N 3.33Å; I515-A517 PolarHBondContact O-N 3.04Å; A517-M519 VanDerWaalsContact C-N 3.33Å; A517-M519 PolarHBondContact O-N 3.49Å; A517-V520 PolarHBondContact O-N 2.92Å; A517-N521 WeakPolarHBondContact O-CB 3.39Å; A517-N521 PolarHBondContact O-N 3.05Å; A517-N521 PolarHBondContact O-ND2 3.42Å; A517-N521 PolarHBondContact O-OD1 3.44Å
518V88.6Confident90.6Very high22 Ų2237 Ų3713%0.13323%0.225CC..Hα-helixtrans-58.2-47.2174.6173.10000110.5V29 Y514 I515 N521 T522V29-V518 HydrophobicContact CG1-CG2 3.71Å; Y514-V518 HydrophobicContact CD1-CG2 4.35Å; Y514-V518 HydrophobicContact CE1-CG2 3.98Å; Y514-V518 HydrophobicContact CE2-CG2 4.43Å; Y514-V518 WeakPolarHBondContact O-CG2 3.38Å; Y514-V518 PolarHBondContact O-N 3.29Å; I515-V518 PolarHBondContact O-N 2.96Å; V518-N521 PolarHBondContact O-N 3.07Å; V518-T522 WeakPolarHBondContact O-CG2 3.43Å; V518-T522 PolarHBondContact O-N 3.38Å
519M87.8Confident90.3Very high31 Ų3141.4 Ų41.415%0.15325%0.248CC..Hα-helixtrans-61.9-46.4177.7-67.8176.977.700112.1I515 T516 A517 N521 T522 F525 A530 I533 V534I515-M519 HydrophobicContact CG2-SD 4.23Å; I515-M519 WeakPolarHBondContact O-CG 3.35Å; I515-M519 PolarHBondContact O-N 3.23Å; T516-M519 PolarHBondContact O-N 2.96Å; A517-M519 VanDerWaalsContact C-N 3.33Å; A517-M519 PolarHBondContact O-N 3.49Å; M519-N521 VanDerWaalsContact C-N 3.33Å; M519-N521 PolarHBondContact O-N 3.19Å; M519-T522 WeakPolarHBondContact O-CB 3.49Å; M519-T522 WeakPolarHBondContact O-CG2 3.36Å; M519-T522 PolarHBondContact O-N 3.28Å; M519-T522 PolarHBondContact O-OG1 3.26Å; M519-F525 HydrophobicContact CB-CD2 4.09Å; M519-F525 HydrophobicContact CE-CD1 4.29Å; M519-F525 HydrophobicContact CE-CD2 4.25Å; M519-F525 HydrophobicContact CE-CE1 4.32Å; M519-F525 HydrophobicContact CE-CE2 4.27Å; M519-F525 HydrophobicContact CE-CG 4.27Å; M519-F525 HydrophobicContact CE-CZ 4.31Å; M519-A530 HydrophobicContact CB-CB 3.87Å; M519-A530 HydrophobicContact CE-CB 4.22Å; M519-A530 HydrophobicContact SD-CB 4Å; M519-I533 HydrophobicContact CE-CB 4.07Å; M519-I533 HydrophobicContact CE-CD1 3.86Å; M519-I533 HydrophobicContact CE-CG2 3.93Å; M519-V534 HydrophobicContact SD-CG2 3.87Å
520V88.6Confident89.9Confident41 Ų4140.1 Ų40.125%0.24824%0.235CC..Hα-helixtrans-63.3-39.6179.91700000111.6T516 A517 T522 G523 A527 A530T516-V520 HydrophobicContact CG2-CG2 4.37Å; T516-V520 WeakPolarHBondContact O-CB 3.31Å; T516-V520 VanDerWaalsContact O-CG2 3.24Å; T516-V520 WeakPolarHBondContact O-CG2 3.45Å; T516-V520 PolarHBondContact O-N 3.36Å; A517-V520 PolarHBondContact O-N 2.92Å; V520-T522 PolarHBondContact O-N 3.3Å; V520-T522 VanDerWaalsContact O-N 3.16Å; V520-G523 PolarHBondContact O-N 3Å; V520-A527 HydrophobicContact CG2-CB 4.18Å; V520-A530 HydrophobicContact CG2-CB 4.18Å
521N87.8Confident89.7Confident28 Ų2845.8 Ų45.815%0.1526%0.256CS..Hα-helixtrans-64.8-18.6179.9-70.5-10.6000112.9R26 V29 F32 A517 V518 M519 G523R26-N521 PolarHBondContact O-ND2 3.09Å; V29-N521 PolarHBondContact O-ND2 3.17Å; F32-N521 WeakPolarHBondContact CB-O 3.4Å; A517-N521 WeakPolarHBondContact O-CB 3.39Å; A517-N521 PolarHBondContact O-N 3.05Å; A517-N521 PolarHBondContact O-ND2 3.42Å; A517-N521 PolarHBondContact O-OD1 3.44Å; V518-N521 PolarHBondContact O-N 3.07Å; M519-N521 VanDerWaalsContact C-N 3.33Å; M519-N521 PolarHBondContact O-N 3.19Å; N521-G523 PolarHBondContact O-N 3.23Å
522T83.8Confident89.3Confident38 Ų3850.4 Ų50.423%0.23328%0.284CS..THydrogen-bonded Turntrans-65.2-13.9170.272.10000113.7F32 V518 M519 V520 R524F32-T522 HydrophobicContact CD2-CG2 4.06Å; F32-T522 HydrophobicContact CE2-CG2 4.36Å; V518-T522 WeakPolarHBondContact O-CG2 3.43Å; V518-T522 PolarHBondContact O-N 3.38Å; M519-T522 WeakPolarHBondContact O-CB 3.49Å; M519-T522 WeakPolarHBondContact O-CG2 3.36Å; M519-T522 PolarHBondContact O-N 3.28Å; M519-T522 PolarHBondContact O-OG1 3.26Å; V520-T522 PolarHBondContact O-N 3.3Å; V520-T522 VanDerWaalsContact O-N 3.16Å; T522-R524 PolarHBondContact O-N 3.29Å; T522-R524 PolarHBondContact OG1-N 2.82Å
523G83.9Confident88.9Confident71 Ų7152 Ų5273%0.73229%0.292SS*.THydrogen-bonded Turntrans74.4-1.4-174.700000114.4V520 N521V520-G523 PolarHBondContact O-N 3Å; N521-G523 PolarHBondContact O-N 3.23Å
524R82.4Confident88.6Confident183 Ų18350.6 Ų50.669%0.69128%0.284SS*.SBendtrans-90.9-22-177.6-60.2-176.9-179.2-174.9-0.6114T522T522-R524 PolarHBondContact O-N 3.29Å; T522-R524 PolarHBondContact OG1-N 2.82Å
525F85.4Confident88.3Confident53 Ų5352.4 Ų52.423%0.23230%0.301CS..  trans-124.4138.9-172.1-57.1-82.2000111.7M519 A530 I533M519-F525 HydrophobicContact CB-CD2 4.09Å; M519-F525 HydrophobicContact CE-CD1 4.29Å; M519-F525 HydrophobicContact CE-CD2 4.25Å; M519-F525 HydrophobicContact CE-CE1 4.32Å; M519-F525 HydrophobicContact CE-CE2 4.27Å; M519-F525 HydrophobicContact CE-CG 4.27Å; M519-F525 HydrophobicContact CE-CZ 4.31Å; F525-A530 HydrophobicContact CB-CB 4.1Å; F525-I533 HydrophobicContact CD1-CD1 3.7Å; F525-I533 HydrophobicContact CE1-CD1 3.54Å
526T91Very high88Confident78 Ų7857 Ų5748%0.47932%0.321SS..  trans-75.3158.4162.469.70000109.7A528 N529 A530T526-A528 PolarHBondContact O-N 3.47Å; T526-N529 PolarHBondContact O-N 2.87Å; T526-N529 WeakPolarHBondContact OG1-CB 3.36Å; T526-N529 PolarHBondContact OG1-N 3.44Å; T526-N529 PolarHBondContact OG1-OD1 3.34Å; T526-A530 WeakPolarHBondContact O-CB 3.28Å; T526-A530 PolarHBondContact O-N 2.97Å
527A88.3Confident87.5Confident47 Ų4759 Ų5939%0.38833%0.33SS..Hα-helixtrans-59.3-35.1179.300000113.1V520 R531V520-A527 HydrophobicContact CG2-CB 4.18Å; A527-R531 PolarHBondContact O-N 3.47Å; A527-R531 VanDerWaalsContact O-N 3.13Å
528A90.8Very high87.1Confident64 Ų6459.4 Ų59.453%0.52933%0.332SS..Hα-helixtrans-70.1-44177.100000112T526 R531 T532T526-A528 PolarHBondContact O-N 3.47Å; A528-R531 PolarHBondContact O-N 3.04Å; A528-T532 PolarHBondContact O-N 3.38Å; A528-T532 PolarHBondContact O-OG1 3.47Å
529N90.1Very high86.6Confident91 Ų9161.7 Ų61.749%0.48735%0.346SS..Hα-helixtrans-64.5-46178.1-68.16.5000110.8T526 R531 T532 I533T526-N529 PolarHBondContact O-N 2.87Å; T526-N529 WeakPolarHBondContact OG1-CB 3.36Å; T526-N529 PolarHBondContact OG1-N 3.44Å; T526-N529 PolarHBondContact OG1-OD1 3.34Å; N529-R531 PolarHBondContact O-N 2.75Å; N529-T532 PolarHBondContact O-N 2.99Å; N529-T532 VanDerWaalsContact O-N 3.17Å; N529-I533 WeakPolarHBondContact O-CG1 3.27Å; N529-I533 PolarHBondContact O-N 3.32Å
530A88.4Confident85.8Confident0 Ų063.7 Ų63.70%036%0.355CS..Hα-helixtrans-58-46.8177.200000111.7T516 M519 V520 F525 T526 T532 I533 V534T516-A530 HydrophobicContact CG2-CB 3.82Å; M519-A530 HydrophobicContact CB-CB 3.87Å; M519-A530 HydrophobicContact CE-CB 4.22Å; M519-A530 HydrophobicContact SD-CB 4Å; V520-A530 HydrophobicContact CG2-CB 4.18Å; F525-A530 HydrophobicContact CB-CB 4.1Å; T526-A530 WeakPolarHBondContact O-CB 3.28Å; T526-A530 PolarHBondContact O-N 2.97Å; A530-T532 VanDerWaalsContact C-N 3.34Å; A530-T532 PolarHBondContact O-N 3.5Å; A530-I533 PolarHBondContact O-N 3.48Å; A530-V534 WeakPolarHBondContact O-CG2 3.28Å; A530-V534 PolarHBondContact O-N 2.93Å
531R91.1Very high84.8Confident123 Ų12362.3 Ų62.346%0.46435%0.346SS..Hα-helixtrans-60.9-41.4175.3-83.8-173.9173.7153.3-3.7112.9D513 T516 A527 A528 N529 I533 V534 S535D513-R531 IonicContact OD1-CZ 2.77Å; D513-R531 IonicContact OD1-NE 3.99Å; D513-R531 IonicContact OD1-NH2 3.68Å; D513-R531 PolarHBondContact OD1-NH2 2.82Å; T516-R531 HydrophobicContact CG2-CG 3.82Å; T516-R531 WeakPolarHBondContact OG1-CG 3.41Å; A527-R531 PolarHBondContact O-N 3.47Å; A527-R531 VanDerWaalsContact O-N 3.13Å; A528-R531 PolarHBondContact O-N 3.04Å; N529-R531 PolarHBondContact O-N 2.75Å; R531-I533 VanDerWaalsContact C-N 3.33Å; R531-I533 PolarHBondContact O-N 3.48Å; R531-V534 PolarHBondContact O-N 2.88Å; R531-S535 WeakPolarHBondContact O-CB 3.4Å; R531-S535 PolarHBondContact O-N 3.23Å; R531-S535 PolarHBondContact O-OG 3.4Å; R531-S535 VanDerWaalsContact O-OG 3.12Å
532T89.4Confident83.6Confident96 Ų9664.9 Ų64.959%0.58936%0.357SS*.Hα-helixtrans-62.5-41.9179.6-55.10000111.4A528 N529 A530 S535 K536A528-T532 PolarHBondContact O-N 3.38Å; A528-T532 PolarHBondContact O-OG1 3.47Å; N529-T532 PolarHBondContact O-N 2.99Å; N529-T532 VanDerWaalsContact O-N 3.17Å; A530-T532 VanDerWaalsContact C-N 3.34Å; A530-T532 PolarHBondContact O-N 3.5Å; T532-S535 PolarHBondContact O-N 2.93Å; T532-K536 WeakPolarHBondContact O-CB 3.44Å; T532-K536 PolarHBondContact O-N 3.25Å
533I86.6Confident82.2Confident61 Ų6172.2 Ų72.231%0.31338%0.38SS..Hα-helixtrans-62.5-48.5176.1-67.1164.4000110.6M519 F525 N529 A530 R531 S535 K536 Q537M519-I533 HydrophobicContact CE-CB 4.07Å; M519-I533 HydrophobicContact CE-CD1 3.86Å; M519-I533 HydrophobicContact CE-CG2 3.93Å; F525-I533 HydrophobicContact CD1-CD1 3.7Å; F525-I533 HydrophobicContact CE1-CD1 3.54Å; N529-I533 WeakPolarHBondContact O-CG1 3.27Å; N529-I533 PolarHBondContact O-N 3.32Å; A530-I533 PolarHBondContact O-N 3.48Å; R531-I533 VanDerWaalsContact C-N 3.33Å; R531-I533 PolarHBondContact O-N 3.48Å; I533-S535 VanDerWaalsContact C-N 3.32Å; I533-S535 PolarHBondContact O-N 3.37Å; I533-K536 PolarHBondContact O-N 3.39Å; I533-Q537 WeakPolarHBondContact O-CG 3.48Å; I533-Q537 PolarHBondContact O-N 3.09Å
534V87.5Confident80.7Confident0 Ų073.3 Ų73.30%037%0.369CS..Hα-helixtrans-59.9-43.6177.9174.50000111L472 I512 I515 M519 A530 R531 Q537 L538L472-V534 HydrophobicContact CD1-CG1 4.11Å; I512-V534 HydrophobicContact CG1-CG1 4.45Å; I512-V534 HydrophobicContact CG2-CG1 4.16Å; I515-V534 HydrophobicContact CB-CG2 4.31Å; I515-V534 HydrophobicContact CG2-CG2 3.6Å; M519-V534 HydrophobicContact SD-CG2 3.87Å; A530-V534 WeakPolarHBondContact O-CG2 3.28Å; A530-V534 PolarHBondContact O-N 2.93Å; R531-V534 PolarHBondContact O-N 2.88Å; V534-Q537 PolarHBondContact O-N 2.85Å; V534-L538 HydrophobicContact CG1-CD1 4.09Å; V534-L538 WeakPolarHBondContact O-CG 3.38Å; V534-L538 PolarHBondContact O-N 2.91Å
535S87.6Confident79.5Confident64 Ų6473.3 Ų73.345%0.44838%0.377SS..Hα-helixtrans-62.8-42.1176.2-65.60000112.6R531 T532 I533 L538 T539R531-S535 WeakPolarHBondContact O-CB 3.4Å; R531-S535 PolarHBondContact O-N 3.23Å; R531-S535 PolarHBondContact O-OG 3.4Å; R531-S535 VanDerWaalsContact O-OG 3.12Å; T532-S535 PolarHBondContact O-N 2.93Å; I533-S535 VanDerWaalsContact C-N 3.32Å; I533-S535 PolarHBondContact O-N 3.37Å; S535-L538 PolarHBondContact O-N 3.14Å; S535-T539 WeakPolarHBondContact O-CG2 3.44Å; S535-T539 PolarHBondContact O-N 3.07Å
536K85.1Confident78.4Confident105 Ų10572.3 Ų72.346%0.45737%0.374SS..Hα-helixtrans-58.9-49175.6-174.2-169.9174.4-158.30110.7T532 I533 L538 T539 E540T532-K536 WeakPolarHBondContact O-CB 3.44Å; T532-K536 PolarHBondContact O-N 3.25Å; I533-K536 PolarHBondContact O-N 3.39Å; K536-L538 VanDerWaalsContact C-N 3.35Å; K536-L538 PolarHBondContact O-N 2.83Å; K536-T539 PolarHBondContact O-N 3.1Å; K536-T539 VanDerWaalsContact O-N 3.12Å; K536-T539 PolarHBondContact O-OG1 3.31Å; K536-E540 VanDerWaalsContact CE-OE1 3.23Å; K536-E540 WeakPolarHBondContact CE-OE1 3.2Å; K536-E540 IonicContact NZ-OE1 3.92Å; K536-E540 PolarHBondContact O-N 2.97Å; K536-E540 VanDerWaalsContact O-N 3.09Å
537Q82.1Confident77Confident43 Ų4370.9 Ų70.920%0.20137%0.367CS..Hα-helixtrans-59.2-44.3177.9-70.4177.6-23.100111.9L472 I533 V534 T539 E540 F541L472-Q537 HydrophobicContact CD2-CB 4.15Å; I533-Q537 WeakPolarHBondContact O-CG 3.48Å; I533-Q537 PolarHBondContact O-N 3.09Å; V534-Q537 PolarHBondContact O-N 2.85Å; Q537-T539 VanDerWaalsContact C-N 3.33Å; Q537-T539 PolarHBondContact O-N 2.91Å; Q537-E540 WeakPolarHBondContact O-CB 3.42Å; Q537-E540 PolarHBondContact O-N 3.2Å; Q537-F541 HydrophobicContact CB-CE2 4.38Å; Q537-F541 WeakPolarHBondContact O-CD2 3.42Å; Q537-F541 PolarHBondContact O-N 3.38Å; Q537-F541 VanDerWaalsContact O-N 3.12Å
538L83.1Confident75.5Confident9 Ų970.9 Ų70.95%0.04736%0.362CS..Hα-helixtrans-58.7-42.3175.2-73.1168.3000112.4L472 V475 H476 I512 V534 S535 K536 E540 F541 H542L472-L538 HydrophobicContact CD1-CD1 4.48Å; L472-L538 HydrophobicContact CD1-CD2 3.6Å; L472-L538 HydrophobicContact CD1-CG 3.75Å; L472-L538 HydrophobicContact CG-CD2 4.37Å; V475-L538 HydrophobicContact CB-CD2 4.12Å; V475-L538 HydrophobicContact CG1-CD1 3.72Å; V475-L538 HydrophobicContact CG1-CD2 3.57Å; V475-L538 HydrophobicContact CG1-CG 4.3Å; H476-L538 HydrophobicContact CB-CD2 4.41Å; I512-L538 HydrophobicContact CD1-CD1 4.1Å; I512-L538 HydrophobicContact CG1-CD1 4.38Å; V534-L538 HydrophobicContact CG1-CD1 4.09Å; V534-L538 WeakPolarHBondContact O-CG 3.38Å; V534-L538 PolarHBondContact O-N 2.91Å; S535-L538 PolarHBondContact O-N 3.14Å; K536-L538 VanDerWaalsContact C-N 3.35Å; K536-L538 PolarHBondContact O-N 2.83Å; L538-E540 VanDerWaalsContact C-N 3.29Å; L538-E540 PolarHBondContact O-N 3.45Å; L538-F541 WeakPolarHBondContact O-CB 3.22Å; L538-F541 PolarHBondContact O-N 2.98Å; L538-H542 PolarHBondContact O-CD2 3.43Å; L538-H542 PolarHBondContact O-N 3.39Å; L538-H542 VanDerWaalsContact O-N 3.17Å
539T77.2Confident74Confident70 Ų7075 Ų7543%0.42937%0.371SS..Hα-helixtrans-67.6-27.717859.60000113.7S535 K536 Q537S535-T539 WeakPolarHBondContact O-CG2 3.44Å; S535-T539 PolarHBondContact O-N 3.07Å; K536-T539 PolarHBondContact O-N 3.1Å; K536-T539 VanDerWaalsContact O-N 3.12Å; K536-T539 PolarHBondContact O-OG1 3.31Å; Q537-T539 VanDerWaalsContact C-N 3.33Å; Q537-T539 PolarHBondContact O-N 2.91Å
540E72.3Confident72.5Confident73 Ų7375.5 Ų75.534%0.34137%0.368SS..Hα-helixtrans-69.8-40.1173-70.3166.6-178.400110.5K536 Q537 L538 H542 R543K536-E540 VanDerWaalsContact CE-OE1 3.23Å; K536-E540 WeakPolarHBondContact CE-OE1 3.2Å; K536-E540 IonicContact NZ-OE1 3.92Å; K536-E540 PolarHBondContact O-N 2.97Å; K536-E540 VanDerWaalsContact O-N 3.09Å; Q537-E540 WeakPolarHBondContact O-CB 3.42Å; Q537-E540 PolarHBondContact O-N 3.2Å; L538-E540 VanDerWaalsContact C-N 3.29Å; L538-E540 PolarHBondContact O-N 3.45Å; E540-H542 PolarHBondContact O-N 3.42Å; E540-R543 PolarHBondContact O-N 2.95Å
541F67.7Low71.2Confident12 Ų1275.6 Ų75.65%0.05337%0.369CS..Hα-helixtrans-64.4-32.3175.2-73.9-57.3000114.6L472 H476 Q537 L538 R543 I546 F551 L554L472-F541 HydrophobicContact CD2-CD2 4.38Å; L472-F541 HydrophobicContact CD2-CE2 3.52Å; L472-F541 HydrophobicContact CD2-CZ 4.28Å; L472-F541 HydrophobicContact CG-CD2 4.4Å; L472-F541 HydrophobicContact CG-CE2 3.92Å; H476-F541 PolarHBondContact CE1-O 3.39Å; Q537-F541 HydrophobicContact CB-CE2 4.38Å; Q537-F541 WeakPolarHBondContact O-CD2 3.42Å; Q537-F541 PolarHBondContact O-N 3.38Å; Q537-F541 VanDerWaalsContact O-N 3.12Å; L538-F541 WeakPolarHBondContact O-CB 3.22Å; L538-F541 PolarHBondContact O-N 2.98Å; F541-R543 PolarHBondContact O-N 3.24Å; F541-I546 HydrophobicContact CB-CD1 3.85Å; F541-I546 HydrophobicContact CD1-CD1 3.37Å; F541-I546 HydrophobicContact CD1-CG1 3.82Å; F541-I546 HydrophobicContact CE1-CD1 4.22Å; F541-I546 HydrophobicContact CG-CD1 3.86Å; F541-F551 AromaticContact CE1-CD2 3.61Å; F541-F551 HydrophobicContact CE1-CD2 3.61Å; F541-F551 HydrophobicContact CE1-CE2 4.09Å; F541-F551 AromaticContact CZ-CD2 3.67Å; F541-F551 HydrophobicContact CZ-CD2 3.67Å; F541-F551 AromaticContact CZ-CE2 3.68Å; F541-F551 HydrophobicContact CZ-CE2 3.68Å; F541-L554 HydrophobicContact CD1-CD1 4.4Å; F541-L554 HydrophobicContact CE1-CD1 3.79Å; F541-L554 HydrophobicContact CZ-CD1 4.38Å
542H61Low69.7Low82 Ų8270.6 Ų70.638%0.3835%0.351SS..THydrogen-bonded Turntrans-64.7-16.5177.5-85.6-82.1000114.1E483 L538 E540E483-H542 IonicContact OE1-CE1 3.2Å; E483-H542 IonicContact OE2-CE1 3.02Å; L538-H542 PolarHBondContact O-CD2 3.43Å; L538-H542 PolarHBondContact O-N 3.39Å; L538-H542 VanDerWaalsContact O-N 3.17Å; E540-H542 PolarHBondContact O-N 3.42Å
543R55.3Low68.2Low191 Ų19171.4 Ų71.472%0.72135%0.348SS*.THydrogen-bonded Turntrans-90.1-18.6-177.2-81.7-174.1-93-120.8-1114.9E540 F541E540-R543 PolarHBondContact O-N 2.95Å; F541-R543 PolarHBondContact O-N 3.24Å
544D52Low66.8Low94 Ų9471.1 Ų71.150%0.50335%0.347SS..SBendtrans-126.9146.8-172-75-28.9000113.1I546D544-I546 PolarHBondContact O-N 2.86Å
545E58.1Low65Low184 Ų18472.7 Ų72.786%0.8636%0.356SS*.  trans-68110161.3-76.7-170.9159.800109.3S547E545-S547 PolarHBondContact O-N 3.39Å; E545-S547 VanDerWaalsContact O-N 3.15Å
546I62.6Low63.2Low31 Ų3171.3 Ų71.316%0.15935%0.347CS..  trans-74.9106-173.7-51.2171.1000110.1F129 L473 F541 D544 F551F129-I546 HydrophobicContact CE1-CG2 4.2Å; F129-I546 HydrophobicContact CZ-CG2 4.48Å; L473-I546 HydrophobicContact CD2-CG2 4.31Å; F541-I546 HydrophobicContact CB-CD1 3.85Å; F541-I546 HydrophobicContact CD1-CD1 3.37Å; F541-I546 HydrophobicContact CD1-CG1 3.82Å; F541-I546 HydrophobicContact CE1-CD1 4.22Å; F541-I546 HydrophobicContact CG-CD1 3.86Å; D544-I546 PolarHBondContact O-N 2.86Å; I546-F551 HydrophobicContact CG2-CB 3.84Å; I546-F551 HydrophobicContact CG2-CD2 4.34Å; I546-F551 HydrophobicContact CG2-CG 4.48Å
547S60.6Low61.3Low48 Ų4871.3 Ų71.334%0.33635%0.348SS..  trans-83.6152161.273.10000110.6E545 E549 K550 F551E545-S547 PolarHBondContact O-N 3.39Å; E545-S547 VanDerWaalsContact O-N 3.15Å; S547-E549 PolarHBondContact O-N 3.03Å; S547-K550 PolarHBondContact O-N 3.18Å; S547-K550 PolarHBondContact OG-N 3.02Å; S547-F551 WeakPolarHBondContact O-CB 3.48Å; S547-F551 PolarHBondContact O-N 3.39Å
548T58Low59.4Low48 Ų4871.5 Ų71.529%0.29436%0.355SS..Hα-helixtrans-55.4-36.4178.6-48.50000112.2F129 L552F129-T548 HydrophobicContact CD1-CG2 4.36Å; T548-L552 HydrophobicContact CG2-CD1 4.42Å; T548-L552 WeakPolarHBondContact O-CG 3.38Å; T548-L552 PolarHBondContact O-N 3.21Å; T548-L552 VanDerWaalsContact O-N 3.1Å
549E57.8Low57.6Low151 Ų15174.1 Ų74.171%0.70637%0.366SS*.Hα-helixtrans-69.8-46.5179.5-65.5172.2177.900112.8S547 F551 L552 Q553S547-E549 PolarHBondContact O-N 3.03Å; E549-F551 VanDerWaalsContact C-N 3.28Å; E549-F551 PolarHBondContact O-N 2.99Å; E549-L552 PolarHBondContact O-N 2.96Å; E549-Q553 WeakPolarHBondContact O-CG 3.03Å; E549-Q553 PolarHBondContact O-N 3.05Å; E549-Q553 VanDerWaalsContact O-N 3.11Å
550K60Low55.6Low101 Ų10180.5 Ų80.544%0.43938%0.382SS..Hα-helixtrans-64-36.6175.9-76.5-177.1177-175.80111.5S547 Q553 L554S547-K550 PolarHBondContact O-N 3.18Å; S547-K550 PolarHBondContact OG-N 3.02Å; K550-Q553 PolarHBondContact O-N 3.45Å; K550-L554 WeakPolarHBondContact O-CG 3.4Å; K550-L554 PolarHBondContact O-N 3.26Å
551F61Low54Low2 Ų283.9 Ų83.91%0.00940%0.398CS..Hα-helixtrans-62.2-49.1175.9177.8-97.9000112.2P465 G469 L473 F541 I546 S547 E549 Q553 L554 V555P465-F551 HydrophobicContact CB-CE1 3.69Å; P465-F551 HydrophobicContact CG-CD1 4.45Å; P465-F551 HydrophobicContact CG-CE1 3.61Å; P465-F551 HydrophobicContact CG-CZ 4.36Å; G469-F551 WeakPolarHBondContact O-CZ 3.42Å; L473-F551 HydrophobicContact CD1-CD1 4.02Å; L473-F551 HydrophobicContact CD1-CD2 4.29Å; L473-F551 HydrophobicContact CD1-CE1 3.64Å; L473-F551 HydrophobicContact CD1-CE2 3.94Å; L473-F551 HydrophobicContact CD1-CG 4.33Å; L473-F551 HydrophobicContact CD1-CZ 3.59Å; L473-F551 HydrophobicContact CD2-CD1 4.49Å; L473-F551 HydrophobicContact CD2-CD2 3.43Å; L473-F551 VanDerWaalsContact CD2-CD2 3.43Å; L473-F551 HydrophobicContact CD2-CE2 3.49Å; L473-F551 VanDerWaalsContact CD2-CE2 3.49Å; L473-F551 HydrophobicContact CD2-CG 3.97Å; L473-F551 HydrophobicContact CD2-CZ 4.06Å; L473-F551 HydrophobicContact CG-CD1 4.5Å; L473-F551 HydrophobicContact CG-CD2 3.89Å; L473-F551 HydrophobicContact CG-CE1 4.09Å; L473-F551 HydrophobicContact CG-CE2 3.41Å; L473-F551 VanDerWaalsContact CG-CE2 3.41Å; L473-F551 HydrophobicContact CG-CG 4.41Å; L473-F551 HydrophobicContact CG-CZ 3.52Å; F541-F551 AromaticContact CE1-CD2 3.61Å; F541-F551 HydrophobicContact CE1-CD2 3.61Å; F541-F551 HydrophobicContact CE1-CE2 4.09Å; F541-F551 AromaticContact CZ-CD2 3.67Å; F541-F551 HydrophobicContact CZ-CD2 3.67Å; F541-F551 AromaticContact CZ-CE2 3.68Å; F541-F551 HydrophobicContact CZ-CE2 3.68Å; I546-F551 HydrophobicContact CG2-CB 3.84Å; I546-F551 HydrophobicContact CG2-CD2 4.34Å; I546-F551 HydrophobicContact CG2-CG 4.48Å; S547-F551 WeakPolarHBondContact O-CB 3.48Å; S547-F551 PolarHBondContact O-N 3.39Å; E549-F551 VanDerWaalsContact C-N 3.28Å; E549-F551 PolarHBondContact O-N 2.99Å; F551-Q553 PolarHBondContact O-N 2.94Å; F551-L554 PolarHBondContact O-N 2.85Å; F551-V555 HydrophobicContact CD1-CG2 4.21Å; F551-V555 HydrophobicContact CD2-CG2 4.34Å; F551-V555 HydrophobicContact CE1-CG2 3.64Å; F551-V555 HydrophobicContact CE2-CG2 3.8Å; F551-V555 HydrophobicContact CZ-CG2 3.41Å; F551-V555 VanDerWaalsContact CZ-CG2 3.41Å; F551-V555 WeakPolarHBondContact O-CG2 3.5Å; F551-V555 PolarHBondContact O-N 3.32Å
552L58.6Low52.9Low18 Ų1888.4 Ų88.49%0.09442%0.422CS..Hα-helixtrans-62.1-31.7177.6-71.5169.7000112.2V131 M139 T548 E549 S556V131-L552 HydrophobicContact CG2-CD1 4.18Å; M139-L552 HydrophobicContact CE-CD1 4.12Å; M139-L552 HydrophobicContact SD-CD1 4.17Å; T548-L552 HydrophobicContact CG2-CD1 4.42Å; T548-L552 WeakPolarHBondContact O-CG 3.38Å; T548-L552 PolarHBondContact O-N 3.21Å; T548-L552 VanDerWaalsContact O-N 3.1Å; E549-L552 PolarHBondContact O-N 2.96Å; L552-S556 VanDerWaalsContact O-CB 3.22Å; L552-S556 WeakPolarHBondContact O-CB 3.41Å; L552-S556 PolarHBondContact O-N 3.45Å; L552-S556 VanDerWaalsContact O-N 3.1Å; L552-S556 PolarHBondContact O-OG 2.61Å
553Q58.7Low51.5Low112 Ų11288.4 Ų88.452%0.52344%0.437SS..Hα-helixtrans-68.6-44.8173.1-71.4174.43.700112.2E549 K550 F551 S556 Q557E549-Q553 WeakPolarHBondContact O-CG 3.03Å; E549-Q553 PolarHBondContact O-N 3.05Å; E549-Q553 VanDerWaalsContact O-N 3.11Å; K550-Q553 PolarHBondContact O-N 3.45Å; F551-Q553 PolarHBondContact O-N 2.94Å; Q553-S556 PolarHBondContact O-N 3.14Å; Q553-Q557 WeakPolarHBondContact O-CB 3.26Å; Q553-Q557 VanDerWaalsContact O-CG 3.23Å; Q553-Q557 WeakPolarHBondContact O-CG 3.49Å; Q553-Q557 PolarHBondContact O-N 3.15Å
554L55.6Low50.4Low56 Ų5682.1 Ų82.129%0.29343%0.431SS..Hα-helixtrans-66.3-42.6178.9-73.5166.3000112.4F541 K550 F551 S556 Q557 S558F541-L554 HydrophobicContact CD1-CD1 4.4Å; F541-L554 HydrophobicContact CE1-CD1 3.79Å; F541-L554 HydrophobicContact CZ-CD1 4.38Å; K550-L554 WeakPolarHBondContact O-CG 3.4Å; K550-L554 PolarHBondContact O-N 3.26Å; F551-L554 PolarHBondContact O-N 2.85Å; L554-S556 VanDerWaalsContact C-N 3.29Å; L554-S556 PolarHBondContact O-N 2.89Å; L554-Q557 PolarHBondContact O-N 3.21Å; L554-S558 PolarHBondContact O-N 3.25Å; L554-S558 VanDerWaalsContact O-N 3.16Å
555V51.7Low49.4Very low32 Ų3288 Ų8819%0.19445%0.453CS..Hα-helixtrans-63-39174.8175.10000110.7F551 S558F551-V555 HydrophobicContact CD1-CG2 4.21Å; F551-V555 HydrophobicContact CD2-CG2 4.34Å; F551-V555 HydrophobicContact CE1-CG2 3.64Å; F551-V555 HydrophobicContact CE2-CG2 3.8Å; F551-V555 HydrophobicContact CZ-CG2 3.41Å; F551-V555 VanDerWaalsContact CZ-CG2 3.41Å; F551-V555 WeakPolarHBondContact O-CG2 3.5Å; F551-V555 PolarHBondContact O-N 3.32Å; V555-S558 PolarHBondContact O-OG 3.46Å
556S48.1Very low48Very low35 Ų3583.3 Ų83.325%0.24544%0.44CS..Hα-helixtrans-71-33176.1-61.90000113.7L552 Q553 L554 K559L552-S556 VanDerWaalsContact O-CB 3.22Å; L552-S556 WeakPolarHBondContact O-CB 3.41Å; L552-S556 PolarHBondContact O-N 3.45Å; L552-S556 VanDerWaalsContact O-N 3.1Å; L552-S556 PolarHBondContact O-OG 2.61Å; Q553-S556 PolarHBondContact O-N 3.14Å; L554-S556 VanDerWaalsContact C-N 3.29Å; L554-S556 PolarHBondContact O-N 2.89Å; S556-K559 PolarHBondContact O-N 2.93Å
557Q46Very low46.4Very low105 Ų10587.2 Ų87.249%0.49148%0.477SS..Hα-helixtrans-70.7-33178.2-78.5170.612.500112.6Q553 L554 K559 R560 E561Q553-Q557 WeakPolarHBondContact O-CB 3.26Å; Q553-Q557 VanDerWaalsContact O-CG 3.23Å; Q553-Q557 WeakPolarHBondContact O-CG 3.49Å; Q553-Q557 PolarHBondContact O-N 3.15Å; L554-Q557 PolarHBondContact O-N 3.21Å; Q557-K559 PolarHBondContact O-N 3.24Å; Q557-K559 VanDerWaalsContact O-N 3.11Å; Q557-R560 PolarHBondContact O-N 3.48Å; Q557-E561 PolarHBondContact O-N 3.42Å
558S43Very low44.8Very low47 Ų4790.8 Ų90.833%0.32950%0.497SS..THydrogen-bonded Turntrans-60.2-21.2174.9740000113.8L554 V555L554-S558 PolarHBondContact O-N 3.25Å; L554-S558 VanDerWaalsContact O-N 3.16Å; V555-S558 PolarHBondContact O-OG 3.46Å
559K44.8Very low43.3Very low65 Ų6597.6 Ų97.628%0.28352%0.522SS..THydrogen-bonded Turntrans-79.7-17.4173-64.2-179.4177.6171.20113.7S556 Q557 A575 L576S556-K559 PolarHBondContact O-N 2.93Å; Q557-K559 PolarHBondContact O-N 3.24Å; Q557-K559 VanDerWaalsContact O-N 3.11Å; K559-A575 HydrophobicContact CD-CB 4.09Å; K559-L576 PolarHBondContact NZ-O 2.99Å
560R34.9Very low42Very low203 Ų20396.7 Ų96.777%0.76653%0.53SS*.THydrogen-bonded Turntrans-92.8-26.6-178.1-71.1-173.7-175-173.61113.4Q557 D562Q557-R560 PolarHBondContact O-N 3.48Å; R560-D562 PolarHBondContact O-N 2.8Å
561E39Very low40.8Very low145 Ų14599.5 Ų99.568%0.67855%0.549SS*.G310 helixtrans-71.1-9.2176.1-65.1-167.9164.800113.1Q557 A563Q557-E561 PolarHBondContact O-N 3.42Å; E561-A563 PolarHBondContact O-N 3.3Å; E561-A563 VanDerWaalsContact O-N 3.16Å
562D43.6Very low39.5Very low106 Ų106108.5 Ų108.557%0.56759%0.591SS**G310 helixtrans-67.4-3.5173.6-89.3-12.1000114.3R560 G564R560-D562 PolarHBondContact O-N 2.8Å; D562-G564 VanDerWaalsContact C-N 3.34Å; D562-G564 PolarHBondContact O-N 2.91Å
563A33.2Very low38.2Very low83 Ų83111.8 Ų111.869%0.68662%0.621SS**G310 helixtrans-89.718.3178.300000114.7E561 F565E561-A563 PolarHBondContact O-N 3.3Å; E561-A563 VanDerWaalsContact O-N 3.16Å; A563-F565 PolarHBondContact O-N 3Å
564G31.6Very low37.2Very low59 Ų59112.3 Ų112.361%0.60864%0.635SS**THydrogen-bonded Turntrans-76-7.2-175.300000117D562D562-G564 VanDerWaalsContact C-N 3.34Å; D562-G564 PolarHBondContact O-N 2.91Å
565F31.3Very low37Very low218 Ų218112.5 Ų112.596%0.95664%0.644SS**THydrogen-bonded Turntrans-139.836.8-176-81.9-77.7000115A563A563-F565 PolarHBondContact O-N 3Å
566S28.4Very low37.3Very low85 Ų85115.7 Ų115.759%0.59466%0.659SS**  trans-146.3114.5162.3-175.10000110.3V568S566-V568 PolarHBondContact O-N 2.92Å
567A29.1Very low38.5Very low113 Ų113116.5 Ų116.593%0.93466%0.661SS**  trans-75.968.2170.900000109.9
568V27.3Very low40.4Very low122 Ų122114.9 Ų114.974%0.73966%0.655SS**SBendtrans-139.4135.6167.3-175.70000108.1S566S566-V568 PolarHBondContact O-N 2.92Å
569K26.1Very low42.6Very low191 Ų191112.9 Ų112.983%0.8364%0.64SS**  trans-54147.9-170.8-67.1176176.7178.10113D571K569-D571 PolarHBondContact O-N 3.13Å
570P31.2Very low44.9Very low133 Ų133111 Ų11186%0.86463%0.633SS**  trans-81.49917833.1-29.3000109.4
571D33.8Very low47.7Very low159 Ų159101.6 Ų101.685%0.8560%0.598SS**  trans-131.765.5164.3-156.521000107.6K569K569-D571 PolarHBondContact O-N 3.13Å
572E34.3Very low50.2Low191 Ų19195.9 Ų95.989%0.89357%0.572SS**  trans-139.3140.4-179.6-75.5-174.2161.200111.2
573A31.4Very low52.6Low88 Ų8892 Ų9273%0.72755%0.553SS**  trans-42.5152.6-168.300000116.4A575A573-A575 PolarHBondContact O-N 2.97Å
574P37.9Very low55.5Low123 Ų12388.4 Ų88.480%0.79952%0.523SS*.  trans-54.1129.5176.422.3-32.5000110.8L576P574-L576 PolarHBondContact O-N 3.2Å
575A50.2Low58.6Low59 Ų5986.1 Ų86.149%0.48850%0.496SS..  trans-58.4108179.400000110.3K559 A573 N577K559-A575 HydrophobicContact CD-CB 4.09Å; A573-A575 PolarHBondContact O-N 2.97Å; A575-N577 PolarHBondContact O-N 3.12Å
576L57.7Low61.6Low100 Ų10076.6 Ų76.652%0.52446%0.455SS..  trans-56126.8175.8-93.2139.5000110.4E206 K559 P574E206-L576 HydrophobicContact CB-CD2 3.87Å; K559-L576 PolarHBondContact NZ-O 2.99Å; P574-L576 PolarHBondContact O-N 3.2Å
577N74.2Confident64.9Low52 Ų5275.2 Ų75.228%0.27844%0.439SS..  trans-68.1136.3172-72.9-25.7000109.1S207 A575 Y579S207-N577 WeakPolarHBondContact CA-O 3.27Å; S207-N577 WeakPolarHBondContact CB-O 3.25Å; A575-N577 PolarHBondContact O-N 3.12Å; N577-Y579 HydrophobicContact CB-CD2 4.3Å; N577-Y579 HydrophobicContact CB-CE2 3.47Å; N577-Y579 VanDerWaalsContact CB-CE2 3.47Å
578I84.9Confident68.1Low70 Ų7069.9 Ų69.936%0.35939%0.394SS..  trans-105.6130.2179.5-60.2169.6000106.6G466 A467G466-I578 VanDerWaalsContact CA-O 3.3Å; G466-I578 WeakPolarHBondContact CA-O 3.46Å; G466-I578 PolarHBondContact N-O 3.28Å; A467-I578 HydrophobicContact CB-CD1 4.37Å
579Y89.7Confident71.5Confident5 Ų564 Ų642%0.0236%0.359CS..EExtended strand (participates in β ladder)trans-123.9158.1179.2-67.6-83.7000111.6V131 L136 S207 H210 L463 L464 N577V131-Y579 HydrophobicContact CB-CE1 4.48Å; V131-Y579 HydrophobicContact CG2-CE1 4.27Å; L136-Y579 HydrophobicContact CD2-CE2 3.95Å; S207-Y579 PolarHBondContact O-N 3.4Å; H210-Y579 PolarHBondContact CE1-O 3.41Å; L463-Y579 HydrophobicContact CB-CD1 3.8Å; L463-Y579 HydrophobicContact CB-CG 4.01Å; L463-Y579 HydrophobicContact CD1-CD1 4.43Å; L463-Y579 HydrophobicContact CD1-CD2 4.18Å; L463-Y579 HydrophobicContact CD1-CG 3.93Å; L464-Y579 CarbonylContact O-C 3.54Å; L464-Y579 WeakPolarHBondContact O-CA 3.2Å; L464-Y579 WeakPolarHBondContact O-CB 3.5Å; L464-Y579 VanDerWaalsContact O-CD1 3.32Å; L464-Y579 WeakPolarHBondContact O-CD1 3.43Å; N577-Y579 HydrophobicContact CB-CD2 4.3Å; N577-Y579 HydrophobicContact CB-CE2 3.47Å; N577-Y579 VanDerWaalsContact CB-CE2 3.47Å
580D92.1Very high74.9Confident26 Ų2658.2 Ų58.214%0.13933%0.332CS..EExtended strand (participates in β ladder)trans-118.1156.7171.3-72.6-53000110.2H210 L464 G466 K585H210-D580 IonicContact CE1-OD1 2.7Å; H210-D580 PolarHBondContact CE1-OD1 2.9Å; H210-D580 IonicContact NE2-OD1 3.82Å; H210-D580 PolarHBondContact NE2-OD1 3.3Å; H210-D580 VanDerWaalsContact NE2-OD1 3.14Å; L464-D580 HydrophobicContact CB-CB 4.39Å; L464-D580 PolarHBondContact N-O 2.85Å; L464-D580 PolarHBondContact O-N 3.48Å; G466-D580 VanDerWaalsContact CA-OD2 3.26Å; G466-D580 WeakPolarHBondContact CA-OD2 3.42Å; D580-K585 WeakPolarHBondContact OD2-CE 3.39Å; D580-K585 IonicContact OD2-NZ 2.93Å; D580-K585 PolarHBondContact OD2-NZ 3.14Å
581N93.8Very high78.1Confident6 Ų654 Ų543%0.03230%0.3CS..EExtended strand (participates in β ladder)trans-71.4135174.9-62.8106.9000111.8R453 H456 A457 V584 K585R453-N581 WeakPolarHBondContact CA-OD1 3.21Å; R453-N581 WeakPolarHBondContact CG-OD1 3.36Å; R453-N581 PolarHBondContact O-ND2 3.48Å; H456-N581 HydrophobicContact CB-CB 4.34Å; A457-N581 WeakPolarHBondContact CA-ND2 3.46Å; A457-N581 WeakPolarHBondContact CB-ND2 3.22Å; A457-N581 PolarHBondContact N-ND2 2.86Å; N581-V584 HydrophobicContact CB-CB 3.76Å; N581-V584 HydrophobicContact CB-CG2 3.49Å; N581-V584 VanDerWaalsContact CB-CG2 3.49Å; N581-K585 VanDerWaalsContact O-CB 3.26Å; N581-K585 WeakPolarHBondContact O-CB 3.39Å; N581-K585 PolarHBondContact O-N 3.29Å
582L92.4Very high81.2Confident25 Ų2546.5 Ų46.513%0.13126%0.26CS..Hα-helixtrans-63.5-59.6179.1176.260.8000111.8C126 A462 L464 V584 K585 Q586C126-L582 HydrophobicContact CB-CD1 3.94Å; A462-L582 HydrophobicContact CB-CD2 4.2Å; L464-L582 HydrophobicContact CD1-CB 4.49Å; L464-L582 HydrophobicContact CD1-CD1 3.85Å; L464-L582 HydrophobicContact CD2-CD1 3.77Å; L464-L582 HydrophobicContact CG-CB 4.21Å; L464-L582 HydrophobicContact CG-CD1 3.79Å; L582-V584 PolarHBondContact O-N 3Å; L582-K585 PolarHBondContact O-N 3.17Å; L582-Q586 HydrophobicContact CD1-CG 4.21Å; L582-Q586 WeakPolarHBondContact O-CG 3.35Å; L582-Q586 PolarHBondContact O-N 3.49Å; L582-Q586 VanDerWaalsContact O-N 3.09Å
583S93.4Very high84.2Confident24 Ų2437.5 Ų37.517%0.16822%0.218CC..Hα-helixtrans-63.4-45.8-175.159.80000112D460 K585 Q586 E587D460-S583 WeakPolarHBondContact OD1-CB 3.41Å; D460-S583 PolarHBondContact OD1-OG 3.07Å; D460-S583 VanDerWaalsContact OD2-CB 3.22Å; D460-S583 WeakPolarHBondContact OD2-CB 3.44Å; D460-S583 PolarHBondContact OD2-N 3.41Å; D460-S583 PolarHBondContact OD2-OG 3.36Å; S583-K585 VanDerWaalsContact C-N 3.33Å; S583-K585 PolarHBondContact O-N 3.03Å; S583-Q586 PolarHBondContact O-N 3.18Å; S583-E587 VanDerWaalsContact O-CB 3.32Å; S583-E587 WeakPolarHBondContact O-CB 3.42Å; S583-E587 WeakPolarHBondContact O-CG 3.23Å; S583-E587 PolarHBondContact O-N 3.27Å
584V95.3Very high87.4Confident7 Ų737.9 Ų37.94%0.04221%0.208CC..Hα-helixtrans-56.3-47.5179-179.60000110.8Y80 T82 H456 N581 L582 E587 A588Y80-V584 HydrophobicContact CD1-CB 4.33Å; Y80-V584 HydrophobicContact CD1-CG2 3.79Å; Y80-V584 HydrophobicContact CG-CG2 4.46Å; T82-V584 HydrophobicContact CG2-CB 4.49Å; T82-V584 HydrophobicContact CG2-CG1 3.64Å; T82-V584 HydrophobicContact CG2-CG2 4.11Å; H456-V584 HydrophobicContact CB-CG2 3.89Å; N581-V584 HydrophobicContact CB-CB 3.76Å; N581-V584 HydrophobicContact CB-CG2 3.49Å; N581-V584 VanDerWaalsContact CB-CG2 3.49Å; L582-V584 PolarHBondContact O-N 3Å; V584-E587 PolarHBondContact O-N 3.21Å; V584-A588 VanDerWaalsContact O-CB 3.32Å; V584-A588 WeakPolarHBondContact O-CB 3.41Å; V584-A588 PolarHBondContact O-N 3.25Å
585K95.1Very high90.3Very high12 Ų1232.2 Ų32.25%0.05217%0.171CC..Hα-helixtrans-68.1-45.3-176.4-175.5164.4-72.9-159.90111.4L464 A470 E471 D580 N581 L582 S583 E587 A588 W589L464-K585 HydrophobicContact CD1-CB 4Å; L464-K585 HydrophobicContact CD1-CD 3.88Å; L464-K585 HydrophobicContact CD1-CG 4.26Å; A470-K585 HydrophobicContact CB-CD 4.17Å; E471-K585 WeakPolarHBondContact OE1-CE 3.36Å; E471-K585 IonicContact OE1-NZ 3.93Å; E471-K585 PolarHBondContact OE1-NZ 3.38Å; E471-K585 IonicContact OE2-NZ 3.52Å; E471-K585 PolarHBondContact OE2-NZ 3Å; D580-K585 WeakPolarHBondContact OD2-CE 3.39Å; D580-K585 IonicContact OD2-NZ 2.93Å; D580-K585 PolarHBondContact OD2-NZ 3.14Å; N581-K585 VanDerWaalsContact O-CB 3.26Å; N581-K585 WeakPolarHBondContact O-CB 3.39Å; N581-K585 PolarHBondContact O-N 3.29Å; L582-K585 PolarHBondContact O-N 3.17Å; S583-K585 VanDerWaalsContact C-N 3.33Å; S583-K585 PolarHBondContact O-N 3.03Å; K585-E587 VanDerWaalsContact C-N 3.29Å; K585-E587 PolarHBondContact O-N 2.91Å; K585-A588 PolarHBondContact O-N 3.44Å; K585-W589 HydrophobicContact CD-CH2 4.19Å; K585-W589 HydrophobicContact CD-CZ2 3.6Å; K585-W589 HydrophobicContact CG-CD2 4.18Å; K585-W589 HydrophobicContact CG-CH2 4.35Å; K585-W589 HydrophobicContact CG-CZ2 3.68Å; K585-W589 VanDerWaalsContact O-CD1 3.27Å; K585-W589 VanDerWaalsContact O-CG 3.22Å; K585-W589 PolarHBondContact O-N 3.25Å
586Q95.6Very high92.5Very high18 Ų1829.4 Ų29.48%0.08415%0.147CC..Hα-helixtrans-57.7-43175.3-73-173.4-25.700112.1L123 C126 L582 S583 W589 R590L123-Q586 HydrophobicContact CD2-CB 3.55Å; L123-Q586 HydrophobicContact CD2-CG 3.54Å; L123-Q586 PolarHBondContact O-NE2 3.09Å; C126-Q586 HydrophobicContact CB-CG 4.2Å; L582-Q586 HydrophobicContact CD1-CG 4.21Å; L582-Q586 WeakPolarHBondContact O-CG 3.35Å; L582-Q586 PolarHBondContact O-N 3.49Å; L582-Q586 VanDerWaalsContact O-N 3.09Å; S583-Q586 PolarHBondContact O-N 3.18Å; Q586-W589 PolarHBondContact O-N 2.64Å; Q586-R590 WeakPolarHBondContact O-CG 3.46Å; Q586-R590 PolarHBondContact O-N 2.64Å
587E97.2Very high94.4Very high55 Ų5525.3 Ų25.326%0.25713%0.126SC..Hα-helixtrans-73.8-35-178.9-68.4-76166.500112.4Y80 S583 V584 K585 W589 R590 K591Y80-E587 HydrophobicContact CE1-CG 4.43Å; Y80-E587 HydrophobicContact CE2-CB 3.93Å; Y80-E587 HydrophobicContact CE2-CG 4.32Å; Y80-E587 WeakPolarHBondContact OH-CG 3.3Å; S583-E587 VanDerWaalsContact O-CB 3.32Å; S583-E587 WeakPolarHBondContact O-CB 3.42Å; S583-E587 WeakPolarHBondContact O-CG 3.23Å; S583-E587 PolarHBondContact O-N 3.27Å; V584-E587 PolarHBondContact O-N 3.21Å; K585-E587 VanDerWaalsContact C-N 3.29Å; K585-E587 PolarHBondContact O-N 2.91Å; E587-W589 VanDerWaalsContact C-N 3.29Å; E587-W589 PolarHBondContact O-N 3.14Å; E587-R590 IonicContact OE1-CZ 3.69Å; E587-R590 IonicContact OE1-NH1 3.14Å; E587-R590 PolarHBondContact OE1-NH1 3.04Å; E587-R590 IonicContact OE2-NH1 3.73Å; E587-R590 PolarHBondContact OE2-NH1 3.18Å; E587-K591 WeakPolarHBondContact O-CB 3.22Å; E587-K591 VanDerWaalsContact O-CG 3.28Å; E587-K591 WeakPolarHBondContact O-CG 3.31Å; E587-K591 PolarHBondContact O-N 3.43Å
588A96.9Very high95.5Very high1 Ų126.9 Ų26.91%0.00813%0.134CC..Hα-helixtrans-60.6-42.417100000110.8L87 V584 K585 A592L87-A588 HydrophobicContact CB-CB 4.13Å; V584-A588 VanDerWaalsContact O-CB 3.32Å; V584-A588 WeakPolarHBondContact O-CB 3.41Å; V584-A588 PolarHBondContact O-N 3.25Å; K585-A588 PolarHBondContact O-N 3.44Å; A588-A592 WeakPolarHBondContact O-CB 3.49Å; A588-A592 PolarHBondContact O-N 3.36Å
589W97.9Very high96Very high0 Ų023.7 Ų23.70%012%0.118CC..Hα-helixtrans-70.8-45.7179.3-66.74000112.2C86 L90 W94 I119 C122 C126 E471 C474 L511 K585 Q586 E587 A592 L593C86-W589 PolarHBondContact SG-NE1 3.42Å; L90-W589 HydrophobicContact CD1-CD2 4.47Å; L90-W589 HydrophobicContact CD1-CG 4Å; W94-W589 HydrophobicContact CH2-CB 4.1Å; W94-W589 HydrophobicContact CH2-CG 4.41Å; W94-W589 WeakPolarHBondContact CZ3-O 3.38Å; I119-W589 HydrophobicContact CD1-CB 3.78Å; C122-W589 HydrophobicContact CB-CE3 4.03Å; C122-W589 HydrophobicContact CB-CZ3 3.86Å; C126-W589 WeakPolarHBondContact SG-CZ3 3.25Å; E471-W589 HydrophobicContact CG-CZ2 3.86Å; C474-W589 VanDerWaalsContact SG-CZ3 3.52Å; L511-W589 HydrophobicContact CD2-CZ2 4.37Å; K585-W589 HydrophobicContact CD-CH2 4.19Å; K585-W589 HydrophobicContact CD-CZ2 3.6Å; K585-W589 HydrophobicContact CG-CD2 4.18Å; K585-W589 HydrophobicContact CG-CH2 4.35Å; K585-W589 HydrophobicContact CG-CZ2 3.68Å; K585-W589 VanDerWaalsContact O-CD1 3.27Å; K585-W589 VanDerWaalsContact O-CG 3.22Å; K585-W589 PolarHBondContact O-N 3.25Å; Q586-W589 PolarHBondContact O-N 2.64Å; E587-W589 VanDerWaalsContact C-N 3.29Å; E587-W589 PolarHBondContact O-N 3.14Å; W589-A592 WeakPolarHBondContact O-CB 3.32Å; W589-A592 PolarHBondContact O-N 3.03Å; W589-L593 PolarHBondContact O-N 2.89Å
590R98.1Very high96.2Very high69 Ų6923.6 Ų23.626%0.2612%0.118SC..Hα-helixtrans-58.3-52.1175.3-73-167.6-141.698.91111.7L123 Q586 E587 A592 L593 D594L123-R590 HydrophobicContact CD1-CG 3.85Å; L123-R590 VanDerWaalsContact CD1-NE 3.26Å; L123-R590 HydrophobicContact CD2-CG 4.36Å; Q586-R590 WeakPolarHBondContact O-CG 3.46Å; Q586-R590 PolarHBondContact O-N 2.64Å; E587-R590 IonicContact OE1-CZ 3.69Å; E587-R590 IonicContact OE1-NH1 3.14Å; E587-R590 PolarHBondContact OE1-NH1 3.04Å; E587-R590 IonicContact OE2-NH1 3.73Å; E587-R590 PolarHBondContact OE2-NH1 3.18Å; R590-A592 VanDerWaalsContact C-N 3.26Å; R590-A592 PolarHBondContact O-N 3.04Å; R590-L593 PolarHBondContact O-N 3.28Å; R590-D594 VanDerWaalsContact O-CG 3.25Å; R590-D594 PolarHBondContact O-N 3.25Å
591K98.1Very high96.3Very high45 Ų4527.8 Ų27.820%0.19614%0.136CC..Hα-helixtrans-62-33.7179.1-68.1-176.5-176.6-166.30112.8T72 H76 L87 E587 L595T72-K591 HydrophobicContact CG2-CB 4.26Å; H76-K591 HydrophobicContact CB-CD 4.13Å; L87-K591 HydrophobicContact CD1-CB 3.75Å; L87-K591 HydrophobicContact CD1-CD 4.38Å; L87-K591 HydrophobicContact CG-CB 4.32Å; E587-K591 WeakPolarHBondContact O-CB 3.22Å; E587-K591 VanDerWaalsContact O-CG 3.28Å; E587-K591 WeakPolarHBondContact O-CG 3.31Å; E587-K591 PolarHBondContact O-N 3.43Å; K591-L595 WeakPolarHBondContact O-CB 3.5Å; K591-L595 PolarHBondContact O-N 2.99Å; K591-L595 VanDerWaalsContact O-N 3.09Å
592A98.3Very high96.1Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-64.1-44.3173.900000111.7L87 L90 A91 W94 A588 W589 R590 V596L87-A592 HydrophobicContact CG-CB 4.28Å; L87-A592 VanDerWaalsContact O-CB 3.27Å; L87-A592 WeakPolarHBondContact O-CB 3.25Å; L90-A592 HydrophobicContact CB-CB 4.21Å; A91-A592 HydrophobicContact CB-CB 4.08Å; W94-A592 HydrophobicContact CE3-CB 4.31Å; W94-A592 HydrophobicContact CZ3-CB 4.03Å; A588-A592 WeakPolarHBondContact O-CB 3.49Å; A588-A592 PolarHBondContact O-N 3.36Å; W589-A592 WeakPolarHBondContact O-CB 3.32Å; W589-A592 PolarHBondContact O-N 3.03Å; R590-A592 VanDerWaalsContact C-N 3.26Å; R590-A592 PolarHBondContact O-N 3.04Å; A592-V596 VanDerWaalsContact O-CG2 3.31Å; A592-V596 WeakPolarHBondContact O-CG2 3.48Å; A592-V596 PolarHBondContact O-N 3.17Å
593L98.4Very high95.5Very high3 Ų335.4 Ų35.42%0.01618%0.179CC..Hα-helixtrans-68.8-46.5176.8-178.862.2000111.4W94 M115 I119 W589 R590 L595 V596 L597W94-L593 HydrophobicContact CE3-CB 4Å; W94-L593 HydrophobicContact CE3-CD1 4.35Å; W94-L593 HydrophobicContact CZ3-CB 3.85Å; M115-L593 HydrophobicContact CB-CD1 3.91Å; M115-L593 HydrophobicContact CE-CD1 3.67Å; M115-L593 WeakPolarHBondContact O-CD2 3.36Å; I119-L593 HydrophobicContact CB-CD2 3.61Å; I119-L593 HydrophobicContact CG1-CD2 4.27Å; I119-L593 HydrophobicContact CG2-CD2 3.38Å; W589-L593 PolarHBondContact O-N 2.89Å; R590-L593 PolarHBondContact O-N 3.28Å; L593-L595 PolarHBondContact O-N 3.47Å; L593-V596 CarbonylContact O-C 3.56Å; L593-V596 WeakPolarHBondContact O-CA 3.47Å; L593-V596 WeakPolarHBondContact O-CB 3.48Å; L593-V596 PolarHBondContact O-N 3.09Å; L593-L597 HydrophobicContact CD1-CD1 4.22Å; L593-L597 HydrophobicContact CD1-CD2 3.94Å; L593-L597 HydrophobicContact CD1-CG 3.83Å; L593-L597 HydrophobicContact CD2-CD1 4.16Å; L593-L597 HydrophobicContact CG-CD1 3.85Å; L593-L597 HydrophobicContact CG-CD2 4.48Å; L593-L597 HydrophobicContact CG-CG 3.9Å; L593-L597 WeakPolarHBondContact O-CG 3.23Å; L593-L597 PolarHBondContact O-N 3.38Å
594D98.1Very high94.9Very high95 Ų9536.8 Ų36.851%0.50819%0.192SC..Hα-helixtrans-55.1-42.5179.6-67.4-23.3000111.3R590 V596 L597 L598R590-D594 VanDerWaalsContact O-CG 3.25Å; R590-D594 PolarHBondContact O-N 3.25Å; D594-V596 PolarHBondContact O-N 2.98Å; D594-L597 PolarHBondContact O-N 3.03Å; D594-L598 WeakPolarHBondContact O-CB 3.27Å; D594-L598 PolarHBondContact O-N 3.5Å
595L97.9Very high94.1Very high4 Ų439.5 Ų39.52%0.02120%0.204CC..Hα-helixtrans-61.7-42.8174.2178.761.3000112.1L18 L68 V69 T72 A91 K591 L593 V599L18-L595 HydrophobicContact CD1-CD2 4.02Å; L18-L595 HydrophobicContact CD2-CD2 4.35Å; L18-L595 HydrophobicContact CD2-CG 4.1Å; L68-L595 HydrophobicContact CB-CD1 4.03Å; V69-L595 HydrophobicContact CG2-CD2 3.91Å; T72-L595 HydrophobicContact CG2-CD2 4.4Å; A91-L595 HydrophobicContact CB-CD2 4.27Å; K591-L595 WeakPolarHBondContact O-CB 3.5Å; K591-L595 PolarHBondContact O-N 2.99Å; K591-L595 VanDerWaalsContact O-N 3.09Å; L593-L595 PolarHBondContact O-N 3.47Å; L595-V599 HydrophobicContact CD1-CG2 4.39Å; L595-V599 VanDerWaalsContact O-CG2 3.28Å; L595-V599 WeakPolarHBondContact O-CG2 3.28Å; L595-V599 PolarHBondContact O-N 3.3Å
596V98.2Very high93.5Very high0 Ų045 Ų450%023%0.233CC..Hα-helixtrans-65.6-44.2177.6172.50000111.2L15 L18 A91 W94 A98 M115 A592 L593 D594 V599 L600L15-V596 HydrophobicContact CD2-CG1 4.03Å; L18-V596 HydrophobicContact CD2-CG2 4.04Å; A91-V596 HydrophobicContact CB-CG2 4.23Å; A91-V596 WeakPolarHBondContact O-CG2 3.32Å; W94-V596 HydrophobicContact CB-CG2 4.25Å; A98-V596 HydrophobicContact CB-CG1 4.33Å; M115-V596 HydrophobicContact CE-CG1 4.1Å; A592-V596 VanDerWaalsContact O-CG2 3.31Å; A592-V596 WeakPolarHBondContact O-CG2 3.48Å; A592-V596 PolarHBondContact O-N 3.17Å; L593-V596 CarbonylContact O-C 3.56Å; L593-V596 WeakPolarHBondContact O-CA 3.47Å; L593-V596 WeakPolarHBondContact O-CB 3.48Å; L593-V596 PolarHBondContact O-N 3.09Å; D594-V596 PolarHBondContact O-N 2.98Å; V596-V599 PolarHBondContact O-N 3.14Å; V596-L600 WeakPolarHBondContact O-CB 3.5Å; V596-L600 PolarHBondContact O-N 2.84Å
597L97.5Very high92.8Very high15 Ų1549.4 Ų49.48%0.07926%0.256CS..Hα-helixtrans-67.4-41.4179.9-61.8-176.2000111.2I112 M115 L593 D594 V599 L600 Q601I112-L597 HydrophobicContact CB-CD2 4.4Å; I112-L597 HydrophobicContact CG1-CD2 4.03Å; I112-L597 HydrophobicContact CG2-CD1 4.35Å; M115-L597 HydrophobicContact CB-CD2 4.37Å; M115-L597 HydrophobicContact SD-CD2 4.41Å; L593-L597 HydrophobicContact CD1-CD1 4.22Å; L593-L597 HydrophobicContact CD1-CD2 3.94Å; L593-L597 HydrophobicContact CD1-CG 3.83Å; L593-L597 HydrophobicContact CD2-CD1 4.16Å; L593-L597 HydrophobicContact CG-CD1 3.85Å; L593-L597 HydrophobicContact CG-CD2 4.48Å; L593-L597 HydrophobicContact CG-CG 3.9Å; L593-L597 WeakPolarHBondContact O-CG 3.23Å; L593-L597 PolarHBondContact O-N 3.38Å; D594-L597 PolarHBondContact O-N 3.03Å; L597-V599 VanDerWaalsContact C-N 3.33Å; L597-V599 PolarHBondContact O-N 3.38Å; L597-L600 HydrophobicContact CD2-CD2 4.4Å; L597-L600 PolarHBondContact O-N 3.19Å; L597-Q601 WeakPolarHBondContact O-CB 3.47Å; L597-Q601 VanDerWaalsContact O-CG 3.23Å; L597-Q601 WeakPolarHBondContact O-CG 3.45Å; L597-Q601 PolarHBondContact O-N 3.48Å
598L96.4Very high92Very high85 Ų8552 Ų5245%0.44528%0.276SS..Hα-helixtrans-57.4-48.4173.9179.565.2000110.6L68 D594 Q601 T602L68-L598 HydrophobicContact CD1-CD2 4.33Å; L68-L598 HydrophobicContact CD2-CD2 4.06Å; D594-L598 WeakPolarHBondContact O-CB 3.27Å; D594-L598 PolarHBondContact O-N 3.5Å; L598-Q601 PolarHBondContact O-N 3.46Å; L598-T602 WeakPolarHBondContact O-CG2 3.16Å
599V95.3Very high91Very high2 Ų254.9 Ų54.91%0.01231%0.306CS..Hα-helixtrans-66.4-44.3177.8174.30000110.9H12 G14 L15 L18 L68 L595 V596 L597 Q601 T602H12-V599 PolarHBondContact CE1-O 3.32Å; H12-V599 PolarHBondContact NE2-O 2.75Å; G14-V599 VanDerWaalsContact C-CG1 3.41Å; L15-V599 HydrophobicContact CD2-CB 4.1Å; L15-V599 HydrophobicContact CD2-CG1 3.79Å; L15-V599 HydrophobicContact CG-CG1 4.08Å; L18-V599 HydrophobicContact CD2-CG2 4.42Å; L68-V599 HydrophobicContact CD1-CG2 4.4Å; L595-V599 HydrophobicContact CD1-CG2 4.39Å; L595-V599 VanDerWaalsContact O-CG2 3.28Å; L595-V599 WeakPolarHBondContact O-CG2 3.28Å; L595-V599 PolarHBondContact O-N 3.3Å; V596-V599 PolarHBondContact O-N 3.14Å; L597-V599 VanDerWaalsContact C-N 3.33Å; L597-V599 PolarHBondContact O-N 3.38Å; V599-Q601 PolarHBondContact O-N 3.44Å; V599-T602 WeakPolarHBondContact O-CB 3.42Å; V599-T602 PolarHBondContact O-N 2.98Å; V599-T602 PolarHBondContact O-OG1 2.94Å
600L95Very high88.9Confident4 Ų462 Ų622%0.02135%0.35CS..Hα-helixtrans-59-32179.8174.164.7000113.1H12 L15 A98 L102 V108 I111 I112 V596 L597 T602H12-L600 WeakPolarHBondContact NE2-CA 3.49Å; H12-L600 PolarHBondContact NE2-O 2.82Å; L15-L600 HydrophobicContact CD1-CB 4.33Å; L15-L600 HydrophobicContact CD1-CD1 3.84Å; L15-L600 HydrophobicContact CD2-CB 4.43Å; A98-L600 HydrophobicContact CB-CD1 4.5Å; A98-L600 HydrophobicContact CB-CD2 4.43Å; L102-L600 HydrophobicContact CD1-CD1 3.76Å; L102-L600 HydrophobicContact CD2-CD1 4.32Å; L102-L600 HydrophobicContact CG-CD1 4.23Å; V108-L600 HydrophobicContact CG1-CD2 4.35Å; V108-L600 HydrophobicContact CG1-CG 4.03Å; V108-L600 HydrophobicContact CG2-CD1 4.24Å; I111-L600 HydrophobicContact CB-CD2 4.11Å; I111-L600 HydrophobicContact CG2-CD2 3.57Å; I112-L600 HydrophobicContact CG1-CD2 4.06Å; V596-L600 WeakPolarHBondContact O-CB 3.5Å; V596-L600 PolarHBondContact O-N 2.84Å; L597-L600 HydrophobicContact CD2-CD2 4.4Å; L597-L600 PolarHBondContact O-N 3.19Å; L600-T602 VanDerWaalsContact C-N 3.26Å
601Q93.1Very high86.4Confident113 Ų11362.3 Ų62.353%0.52837%0.374SS..THydrogen-bonded Turntrans-77.2-10.6178-72.6171.83.800113.1I112 L597 L598 V599 D603I112-Q601 HydrophobicContact CD1-CG 3.76Å; L597-Q601 WeakPolarHBondContact O-CB 3.47Å; L597-Q601 VanDerWaalsContact O-CG 3.23Å; L597-Q601 WeakPolarHBondContact O-CG 3.45Å; L597-Q601 PolarHBondContact O-N 3.48Å; L598-Q601 PolarHBondContact O-N 3.46Å; V599-Q601 PolarHBondContact O-N 3.44Å; Q601-D603 PolarHBondContact O-N 3.44Å
602T89.3Confident83.6Confident57 Ų5769.6 Ų69.635%0.3541%0.409SS..  trans-77.8119176.563.60000111H12 L598 V599 L600H12-T602 PolarHBondContact NE2-O 2.96Å; L598-T602 WeakPolarHBondContact O-CG2 3.16Å; V599-T602 WeakPolarHBondContact O-CB 3.42Å; V599-T602 PolarHBondContact O-N 2.98Å; V599-T602 PolarHBondContact O-OG1 2.94Å; L600-T602 VanDerWaalsContact C-N 3.26Å
603D80.4Confident80.9Confident134 Ų13479.5 Ų79.572%0.71745%0.452SS*.  trans-99.3-25.3179.460-17.9000112.8Q601Q601-D603 PolarHBondContact O-N 3.44Å
604A80.1Confident78.3Confident54 Ų5486.7 Ų86.745%0.44649%0.49SS..EExtended strand (participates in β ladder)trans-142.1144.417600000112.8
605E79.9Confident75.4Confident63 Ų6391.4 Ų91.429%0.29451%0.509SS..EExtended strand (participates in β ladder)trans-109118.9167-176.1174-160.400107.5K17 A64 I607K17-E605 IonicContact NZ-OE2 3.8Å; K17-E605 PolarHBondContact NZ-OE2 3.26Å; A64-E605 WeakPolarHBondContact CB-OE1 3.06Å; E605-I607 HydrophobicContact CG-CD1 4.5Å; E605-I607 HydrophobicContact CG-CG1 4.21Å
606I82.3Confident72.5Confident129 Ų12993.7 Ų93.766%0.66253%0.534SS*.EExtended strand (participates in β ladder)trans-109.9112.1-179.9-55.5176000108.1T608I606-T608 HydrophobicContact CG2-CG2 4.03Å
607I79.9Confident69.9Low110 Ų110101.5 Ų101.556%0.56458%0.576SS**EExtended strand (participates in β ladder)trans-104.8118177-55.5175.7000108.1E605E605-I607 HydrophobicContact CG-CD1 4.5Å; E605-I607 HydrophobicContact CG-CG1 4.21Å
608T81.8Confident66.9Low108 Ų108106.8 Ų106.866%0.66360%0.603SS**  trans-119.9137.2174.660.50000110L2 I606L2-T608 HydrophobicContact CD2-CG2 4.25Å; I606-T608 HydrophobicContact CG2-CG2 4.03Å
609G75.9Confident63.9Low62 Ų62107.6 Ų107.664%0.63961%0.606SS**  trans-175.7151.8-179.600000112.5G611G609-G611 PolarHBondContact O-N 3.24Å
610T53Low60.8Low151 Ų151114.8 Ų114.893%0.92664%0.644SS**SBendtrans-80109.3171.450.30000108.4
611G44.5Very low57.9Low75 Ų75120.9 Ų120.977%0.77368%0.676SS**  trans-60.8142.3-158.100000117.4G609G609-G611 PolarHBondContact O-N 3.24Å
612Q39.3Very low56.2Low198 Ų198121.3 Ų121.393%0.92568%0.683SS**  trans-111.3136.9134.4-88.4-175.8-17.900108.3
613K41.6Very low54.4Low208 Ų208124.6 Ų124.690%0.90470%0.701SS**  trans-65.4133.7-172.8-74.5171.7172.2175.10111.5
614N44.4Very low53Low153 Ų153124.1 Ų124.182%0.81870%0.7SS**  trans32.789.6152.8-79.80.3000117.1
615E37.6Very low51.4Low194 Ų194128.2 Ų128.291%0.90772%0.715SS**  trans-101.7123.4130.9-76.3-174164.800106.9
616G37.1Very low49.6Very low53 Ų53132.3 Ų132.355%0.54674%0.741SS.*  trans-54.7147.4-173.300000111.6L618G616-L618 PolarHBondContact O-N 3.11Å
617N43.3Very low47.4Very low163 Ų163132.5 Ų132.587%0.87275%0.746SS**SBendtrans-62.150162.2-109.6-34.8000111.2
618L35Very low45.1Very low126 Ų126134.1 Ų134.166%0.6676%0.759SS**  trans-94113.9170.4-93.8125000106.7G616 L620G616-L618 PolarHBondContact O-N 3.11Å; L618-L620 HydrophobicContact CB-CD1 4.33Å; L618-L620 HydrophobicContact CB-CG 4.45Å; L618-L620 HydrophobicContact CD2-CD1 4.29Å; L618-L620 HydrophobicContact CD2-CG 4.32Å; L618-L620 PolarHBondContact O-N 3.44Å
619M33.5Very low42.3Very low102 Ų102136.2 Ų136.250%0.50277%0.767SS.*  trans-60.589.8147.7-82-148.2-157.800107.5A20A20-M619 HydrophobicContact CB-CE 4Å
620L28.9Very low39.5Very low153 Ų153142.3 Ų142.380%0.80178%0.777SS**  trans-91.288.2152.2-87.4155.4000106.1L618L618-L620 HydrophobicContact CB-CD1 4.33Å; L618-L620 HydrophobicContact CB-CG 4.45Å; L618-L620 HydrophobicContact CD2-CD1 4.29Å; L618-L620 HydrophobicContact CD2-CG 4.32Å; L618-L620 PolarHBondContact O-N 3.44Å
621L35.4Very low38.3Very low132 Ų132141.5 Ų141.569%0.69176%0.764SS**  trans-126.60163-83.4172.2000109.1R24 L59R24-L621 PolarHBondContact NH2-O 3.38Å; L59-L621 HydrophobicContact CD2-CD2 3.8Å

Retrieved 621 of 621 residues in 1221 ms (Link to these results)

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