G4VB14_SCHMA Loading...

Putative rna lariat debranching enzyme

AlphaFold DB , UniProt , Accession G4VB14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 616 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
1M87.3Confident96.8Very high156 Ų15620.6 Ų20.677%0.76810%0.1SC*.  0143.90-67.1-177.2-69.600107D268 E270M1-D268 HydrophobicContact SD-CB 4.2Å; M1-E270 HydrophobicContact CG-CB 4.27Å
2V94.5Very high96.8Very high5 Ų519.1 Ų19.13%0.039%0.094CC..EExtended strand (participates in β ladder)trans-103.2122.9176.6-175.70000107.7V4 D33 F116 A117 L119 I269V2-V4 HydrophobicContact CG1-CG2 3.97Å; V2-V4 PolarHBondContact O-N 3.17Å; V2-D33 WeakPolarHBondContact CA-OD2 3.32Å; V2-D33 HydrophobicContact CG1-CB 3.84Å; V2-F116 HydrophobicContact CG1-CD1 4.09Å; V2-F116 HydrophobicContact CG1-CE1 3.72Å; V2-A117 HydrophobicContact CG2-CB 3.71Å; V2-L119 HydrophobicContact CB-CD1 3.9Å; V2-L119 HydrophobicContact CG1-CD1 4.01Å; V2-L119 HydrophobicContact CG2-CD1 4.04Å; V2-L119 HydrophobicContact CG2-CG 4.15Å; V2-I269 PolarHBondContact N-O 2.91Å; V2-I269 PolarHBondContact O-N 2.97Å
3K97.4Very high96.9Very high24 Ų2422.4 Ų22.410%0.10411%0.109CC..EExtended strand (participates in β ladder)trans-83.3104.7175.4-177.590.6-85.6178.20108.8F30 K31 D33 L34 L267 D268K3-F30 HydrophobicContact CD-CB 4.33Å; K3-F30 HydrophobicContact CD-CD2 3.57Å; K3-F30 HydrophobicContact CD-CE2 4Å; K3-F30 HydrophobicContact CD-CG 3.96Å; K3-F30 HydrophobicContact CG-CD2 3.78Å; K3-F30 HydrophobicContact CG-CE2 4.15Å; K3-K31 WeakPolarHBondContact CB-O 3.42Å; K3-K31 VanDerWaalsContact CG-O 3.28Å; K3-K31 WeakPolarHBondContact CG-O 3.41Å; K3-D33 PolarHBondContact N-OD2 2.68Å; K3-D33 PolarHBondContact O-N 2.77Å; K3-L34 PolarHBondContact O-N 2.95Å; K3-L267 VanDerWaalsContact CE-C 3.49Å; K3-L267 WeakPolarHBondContact CE-O 3.29Å; K3-D268 WeakPolarHBondContact CD-OD1 3.47Å; K3-D268 WeakPolarHBondContact CE-OD1 3.34Å; K3-D268 IonicContact NZ-OD1 3.48Å; K3-D268 PolarHBondContact NZ-OD1 2.83Å; K3-D268 IonicContact NZ-OD2 3.98Å; K3-D268 PolarHBondContact NZ-OD2 3.1Å
4V98.3Very high97Very high0 Ų021.1 Ų21.10%010%0.102CC..EExtended strand (participates in β ladder)trans-100.6133.9179.9-178.60000109.9V2 V6 L34 L36 L119 F266 L267 I269V2-V4 HydrophobicContact CG1-CG2 3.97Å; V2-V4 PolarHBondContact O-N 3.17Å; V4-V6 HydrophobicContact CG1-CG2 4.24Å; V4-L34 CarbonylContact C-O 3.53Å; V4-L34 WeakPolarHBondContact CA-O 3.41Å; V4-L34 HydrophobicContact CG2-CB 4.44Å; V4-L36 HydrophobicContact CG1-CB 4.44Å; V4-L36 HydrophobicContact CG1-CD1 3.61Å; V4-L36 HydrophobicContact CG1-CG 3.73Å; V4-L119 HydrophobicContact CG2-CD1 4.31Å; V4-F266 CarbonylContact O-C 3.56Å; V4-F266 WeakPolarHBondContact O-CA 3.24Å; V4-L267 PolarHBondContact N-O 2.91Å; V4-L267 PolarHBondContact O-N 3.18Å; V4-I269 HydrophobicContact CB-CD1 4.35Å; V4-I269 HydrophobicContact CG2-CD1 4.07Å; V4-I269 HydrophobicContact CG2-CG1 4.44Å
5C98.7Very high97Very high0 Ų023.4 Ų23.40%012%0.116CC..EExtended strand (participates in β ladder)trans-102.3116.5164.6-1710000109.3I21 T32 L34 V35 L36 F266C5-I21 HydrophobicContact CB-CD1 4.31Å; C5-I21 HydrophobicContact CB-CG1 4.49Å; C5-T32 HydrophobicContact CB-CG2 3.72Å; C5-L34 PolarHBondContact N-O 2.74Å; C5-V35 HydrophobicContact CB-CG2 4.4Å; C5-V35 CarbonylContact O-C 3.29Å; C5-V35 WeakPolarHBondContact O-CA 3.31Å; C5-L36 PolarHBondContact O-N 3.47Å; C5-F266 HydrophobicContact CB-CD1 3.86Å; C5-F266 HydrophobicContact CB-CE1 3.64Å; C5-F266 HydrophobicContact CB-CZ 4.38Å; C5-F266 VanDerWaalsContact SG-CE1 3.58Å
6V98.8Very high97.1Very high1 Ų124.7 Ų24.71%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-90.7132.6173.4-171.20000108.6V4 F224 L254 L264 Q265 L267V4-V6 HydrophobicContact CG1-CG2 4.24Å; V6-F224 HydrophobicContact CG1-CB 3.89Å; V6-F224 HydrophobicContact CG1-CD1 4.22Å; V6-F224 HydrophobicContact CG1-CD2 4.07Å; V6-F224 HydrophobicContact CG1-CG 3.8Å; V6-F224 HydrophobicContact CG2-CD1 4.21Å; V6-F224 HydrophobicContact CG2-CD2 3.73Å; V6-F224 HydrophobicContact CG2-CE1 4.06Å; V6-F224 HydrophobicContact CG2-CE2 3.57Å; V6-F224 HydrophobicContact CG2-CG 4.07Å; V6-F224 HydrophobicContact CG2-CZ 3.75Å; V6-L254 HydrophobicContact CB-CD1 3.98Å; V6-L254 HydrophobicContact CG1-CD1 3.85Å; V6-L254 WeakPolarHBondContact O-CD1 3.13Å; V6-L264 WeakPolarHBondContact O-CA 3.23Å; V6-Q265 PolarHBondContact N-O 3.44Å; V6-Q265 PolarHBondContact O-N 3.01Å; V6-L267 HydrophobicContact CG2-CD1 4.01Å
7V98.7Very high97.1Very high1 Ų123.4 Ų23.41%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-117.4136.2179-1680000109.1V17 V35 L36 C37 C38 Y263 L264V7-V17 HydrophobicContact CG1-CG1 4.36Å; V7-V17 HydrophobicContact CG1-CG2 4.07Å; V7-V17 HydrophobicContact CG2-CG1 4.01Å; V7-V35 HydrophobicContact CG2-CG1 3.53Å; V7-L36 PolarHBondContact N-O 3.18Å; V7-C37 HydrophobicContact CB-CB 4.1Å; V7-C38 PolarHBondContact O-N 3.06Å; V7-Y263 CarbonylContact C-O 3.52Å; V7-Y263 VanDerWaalsContact CA-O 3.31Å; V7-Y263 WeakPolarHBondContact CA-O 3.5Å; V7-L264 HydrophobicContact CB-CD2 4.16Å; V7-L264 HydrophobicContact CG1-CD2 3.92Å; V7-L264 HydrophobicContact CG2-CD2 3.71Å
8G98.5Very high97.2Very high0 Ų022.9 Ų22.90%012%0.117CC..  trans-74.2-140.6170.100000112.7L10 C37 D255 Y263G8-L10 PolarHBondContact O-N 2.77Å; G8-C37 PolarHBondContact O-SG 3.11Å; G8-D255 WeakPolarHBondContact CA-O 3.46Å; G8-Y263 PolarHBondContact N-O 3.07Å
9C98.3Very high97.3Very high0 Ų024.8 Ų24.80%014%0.136CC..BIsolated β-bridgetrans-74.1123.3178.3-68.60000111.4H11 G39 D40 H175 A226 H227 D255 K256 C257C9-H11 WeakPolarHBondContact CB-NE2 3.33Å; C9-G39 VanDerWaalsContact CA-O 3.28Å; C9-G39 WeakPolarHBondContact CA-O 3.21Å; C9-D40 HydrophobicContact CB-CB 4.03Å; C9-H175 VanDerWaalsContact SG-CE1 3.56Å; C9-A226 WeakPolarHBondContact SG-CB 3.39Å; C9-H227 PolarHBondContact SG-N 2.78Å; C9-D255 PolarHBondContact N-O 3.34Å; C9-K256 HydrophobicContact CB-CB 4Å; C9-K256 CarbonylContact O-C 3.51Å; C9-K256 WeakPolarHBondContact O-CA 3.35Å; C9-C257 PolarHBondContact O-N 2.96Å
10L97.6Very high97.3Very high3 Ų324.6 Ų24.62%0.01614%0.135CC..  trans-80.1-41-173.5-17362.6000113.9G8 G12 E13 L14 V17 G39 D40 F41G8-L10 PolarHBondContact O-N 2.77Å; L10-G12 PolarHBondContact O-N 3.17Å; L10-E13 PolarHBondContact O-N 2.83Å; L10-L14 HydrophobicContact CD2-CB 4.15Å; L10-L14 HydrophobicContact CD2-CD1 3.82Å; L10-V17 HydrophobicContact CD1-CB 4.08Å; L10-V17 HydrophobicContact CD1-CG2 3.41Å; L10-V17 VanDerWaalsContact CD1-CG2 3.41Å; L10-G39 PolarHBondContact N-O 3.07Å; L10-D40 PolarHBondContact N-O 2.58Å; L10-F41 HydrophobicContact CD2-CD1 4.4Å; L10-F41 HydrophobicContact CD2-CD2 3.56Å; L10-F41 HydrophobicContact CD2-CE1 4.43Å; L10-F41 HydrophobicContact CD2-CE2 3.6Å; L10-F41 HydrophobicContact CD2-CG 3.98Å; L10-F41 HydrophobicContact CD2-CZ 4.05Å
11H96.6Very high97.4Very high37 Ų3723.6 Ų23.617%0.17113%0.13CC..THydrogen-bonded Turntrans50.836.6-174.3-67.5-80.5000114.5C9 E13 D40 Q42 H86 H229C9-H11 WeakPolarHBondContact CB-NE2 3.33Å; H11-E13 VanDerWaalsContact C-N 3.29Å; H11-E13 PolarHBondContact O-N 2.87Å; H11-D40 IonicContact CE1-OD2 3.44Å; H11-D40 PolarHBondContact CE1-OD2 2.97Å; H11-D40 PolarHBondContact N-O 2.62Å; H11-D40 IonicContact NE2-OD2 3.56Å; H11-D40 PolarHBondContact NE2-OD2 2.98Å; H11-Q42 PolarHBondContact ND1-NE2 3.46Å; H11-Q42 PolarHBondContact O-OE1 3.16Å; H11-H86 AromaticContact CE1-CD2 2.87Å; H11-H86 PolarHBondContact CE1-CD2 2.73Å; H11-H86 AromaticContact CE1-CG 3.62Å; H11-H86 AromaticContact CE1-NE2 3.77Å; H11-H229 AromaticContact NE2-CD2 3.63Å; H11-H229 AromaticContact NE2-CE1 3.15Å; H11-H229 PolarHBondContact NE2-CE1 3.08Å; H11-H229 AromaticContact NE2-NE2 2.44Å; H11-H229 PolarHBondContact NE2-NE2 3.07Å
12G97Very high97.9Very high2 Ų218.6 Ų18.62%0.02111%0.113CC..THydrogen-bonded Turntrans78.7-0.2175.300000116.3L10 L14 F41 D64L10-G12 PolarHBondContact O-N 3.17Å; G12-L14 PolarHBondContact O-N 2.81Å; G12-F41 PolarHBondContact N-O 3.04Å; G12-D64 PolarHBondContact O-N 3.08Å
13E97.7Very high98.1Very high62 Ų6221.8 Ų21.829%0.2913%0.127SC..  trans-82.950.6-179-54.7-72.8158.200111.6L10 H11 C16 V17 R61 C257L10-E13 PolarHBondContact O-N 2.83Å; H11-E13 VanDerWaalsContact C-N 3.29Å; H11-E13 PolarHBondContact O-N 2.87Å; E13-C16 HydrophobicContact CB-CB 4.21Å; E13-C16 WeakPolarHBondContact O-CB 3.14Å; E13-C16 PolarHBondContact O-N 2.66Å; E13-V17 PolarHBondContact O-N 2.98Å; E13-R61 IonicContact OE1-NH1 2.97Å; E13-R61 PolarHBondContact OE1-NH1 2.81Å; E13-C257 HydrophobicContact CB-CB 4.33Å
14L98Very high98.1Very high4 Ų420.8 Ų20.82%0.02112%0.124CC..Hα-helixtrans-68.6-35.1-171.2-173.459000113.1L10 G12 C16 V17 Y18 F41 D64 F65 Y68 I105L10-L14 HydrophobicContact CD2-CB 4.15Å; L10-L14 HydrophobicContact CD2-CD1 3.82Å; G12-L14 PolarHBondContact O-N 2.81Å; L14-C16 VanDerWaalsContact C-N 3.33Å; L14-V17 PolarHBondContact O-N 3.14Å; L14-Y18 HydrophobicContact CD1-CD2 4.14Å; L14-Y18 HydrophobicContact CD1-CE2 3.46Å; L14-Y18 VanDerWaalsContact CD1-CE2 3.46Å; L14-Y18 HydrophobicContact CD2-CE2 4.05Å; L14-Y18 HydrophobicContact CG-CD2 4.03Å; L14-Y18 HydrophobicContact CG-CE2 3.51Å; L14-Y18 WeakPolarHBondContact O-CD2 3.46Å; L14-Y18 PolarHBondContact O-N 3.09Å; L14-F41 HydrophobicContact CD1-CE2 4.24Å; L14-F41 HydrophobicContact CD1-CZ 4.04Å; L14-F41 HydrophobicContact CD2-CZ 4.07Å; L14-D64 HydrophobicContact CB-CB 4.07Å; L14-D64 PolarHBondContact N-OD2 2.79Å; L14-D64 VanDerWaalsContact N-OD2 3.15Å; L14-F65 HydrophobicContact CD2-CD2 4.2Å; L14-Y68 HydrophobicContact CB-CE2 4.42Å; L14-Y68 HydrophobicContact CD2-CD1 4.33Å; L14-Y68 HydrophobicContact CD2-CD2 3.67Å; L14-Y68 HydrophobicContact CD2-CE1 4.34Å; L14-Y68 HydrophobicContact CD2-CE2 3.69Å; L14-Y68 HydrophobicContact CD2-CG 4.02Å; L14-Y68 HydrophobicContact CG-CE2 4.07Å; L14-I105 HydrophobicContact CD2-CD1 3.84Å
15D98.1Very high98Very high56 Ų5622 Ų2230%0.29913%0.13SC..Hα-helixtrans-68.9-35.6177.8-74.66.2000111.1Y18 A19 D64 R67 Y68D15-Y18 PolarHBondContact O-N 3.18Å; D15-A19 WeakPolarHBondContact O-CB 3.38Å; D15-A19 PolarHBondContact O-N 2.77Å; D15-D64 HydrophobicContact CB-CB 4.48Å; D15-D64 WeakPolarHBondContact CB-OD2 3.49Å; D15-D64 PolarHBondContact N-OD2 2.7Å; D15-R67 IonicContact OD1-NH2 3.31Å; D15-R67 IonicContact OD2-CZ 2.72Å; D15-R67 IonicContact OD2-NE 2.7Å; D15-R67 IonicContact OD2-NH2 3.02Å; D15-R67 PolarHBondContact OD2-NH2 2.94Å; D15-Y68 WeakPolarHBondContact OD1-CE2 3.2Å; D15-Y68 VanDerWaalsContact OD1-CZ 3.28Å; D15-Y68 PolarHBondContact OD1-OH 3.29Å
16C97.8Very high98Very high44 Ų4429 Ų2930%0.29716%0.162SC..Hα-helixtrans-60.5-50176.2-170.50000110.9E13 L14 Y18 A19 D20E13-C16 HydrophobicContact CB-CB 4.21Å; E13-C16 WeakPolarHBondContact O-CB 3.14Å; E13-C16 PolarHBondContact O-N 2.66Å; L14-C16 VanDerWaalsContact C-N 3.33Å; C16-Y18 PolarHBondContact O-N 3.16Å; C16-A19 PolarHBondContact O-N 3.04Å; C16-D20 PolarHBondContact O-N 2.85Å
17V98.1Very high97.9Very high3 Ų334.3 Ų34.32%0.01819%0.187CC..Hα-helixtrans-60.2-43.5178.8165.70000112.3V7 L10 E13 L14 D20 I21 C257 Y263 L264V7-V17 HydrophobicContact CG1-CG1 4.36Å; V7-V17 HydrophobicContact CG1-CG2 4.07Å; V7-V17 HydrophobicContact CG2-CG1 4.01Å; L10-V17 HydrophobicContact CD1-CB 4.08Å; L10-V17 HydrophobicContact CD1-CG2 3.41Å; L10-V17 VanDerWaalsContact CD1-CG2 3.41Å; E13-V17 PolarHBondContact O-N 2.98Å; L14-V17 PolarHBondContact O-N 3.14Å; V17-D20 PolarHBondContact O-N 3.34Å; V17-I21 HydrophobicContact CG1-CD1 3.77Å; V17-I21 WeakPolarHBondContact O-CB 3.5Å; V17-I21 WeakPolarHBondContact O-CD1 3.35Å; V17-I21 VanDerWaalsContact O-CG1 3.22Å; V17-I21 WeakPolarHBondContact O-CG1 3.27Å; V17-I21 PolarHBondContact O-N 3.07Å; V17-C257 HydrophobicContact CG2-CB 4.47Å; V17-Y263 HydrophobicContact CG2-CD2 4.34Å; V17-Y263 HydrophobicContact CG2-CE2 4.22Å; V17-L264 HydrophobicContact CG1-CD2 4.13Å; V17-L264 HydrophobicContact CG2-CD2 4.41Å
18Y98.5Very high97.7Very high14 Ų1435.4 Ų35.46%0.05520%0.198CC..Hα-helixtrans-70.7-32.5177.5-67.5-46.4000113.4L14 D15 C16 I21 A22 Y68 A75 P76 T79L14-Y18 HydrophobicContact CD1-CD2 4.14Å; L14-Y18 HydrophobicContact CD1-CE2 3.46Å; L14-Y18 VanDerWaalsContact CD1-CE2 3.46Å; L14-Y18 HydrophobicContact CD2-CE2 4.05Å; L14-Y18 HydrophobicContact CG-CD2 4.03Å; L14-Y18 HydrophobicContact CG-CE2 3.51Å; L14-Y18 WeakPolarHBondContact O-CD2 3.46Å; L14-Y18 PolarHBondContact O-N 3.09Å; D15-Y18 PolarHBondContact O-N 3.18Å; C16-Y18 PolarHBondContact O-N 3.16Å; Y18-I21 HydrophobicContact CD1-CD1 4.32Å; Y18-I21 PolarHBondContact O-N 3.28Å; Y18-A22 WeakPolarHBondContact O-CB 3.36Å; Y18-A22 PolarHBondContact O-N 2.66Å; Y18-Y68 HydrophobicContact CD2-CE1 4.16Å; Y18-Y68 WeakPolarHBondContact CD2-OH 3.45Å; Y18-Y68 AromaticContact CE2-CE1 3.75Å; Y18-Y68 HydrophobicContact CE2-CE1 3.75Å; Y18-Y68 AromaticContact CE2-CZ 3.93Å; Y18-A75 HydrophobicContact CE1-CB 4.47Å; Y18-A75 HydrophobicContact CE2-CB 4.05Å; Y18-A75 WeakPolarHBondContact OH-CB 3.32Å; Y18-P76 HydrophobicContact CD1-CG 3.69Å; Y18-P76 HydrophobicContact CD2-CG 4.32Å; Y18-P76 HydrophobicContact CE1-CG 4.25Å; Y18-P76 HydrophobicContact CG-CG 3.76Å; Y18-T79 PolarHBondContact OH-OG1 3.12Å
19A98.2Very high97.6Very high59 Ų5944.1 Ų44.149%0.48824%0.239SC..Hα-helixtrans-64.6-45.6173.400000111.6D15 C16 I21 A22 E23D15-A19 WeakPolarHBondContact O-CB 3.38Å; D15-A19 PolarHBondContact O-N 2.77Å; C16-A19 PolarHBondContact O-N 3.04Å; A19-I21 VanDerWaalsContact C-N 3.34Å; A19-I21 PolarHBondContact O-N 3.12Å; A19-A22 PolarHBondContact O-N 3.34Å; A19-E23 PolarHBondContact O-N 3.08Å
20D98.1Very high97.5Very high21 Ų2146.9 Ų46.911%0.11225%0.251CS..Hα-helixtrans-64.3-37.1176-74.5-35000112.7C16 V17 A24 Y263 L264 P610C16-D20 PolarHBondContact O-N 2.85Å; V17-D20 PolarHBondContact O-N 3.34Å; D20-A24 VanDerWaalsContact O-CB 3.25Å; D20-A24 WeakPolarHBondContact O-CB 3.27Å; D20-A24 PolarHBondContact O-N 3.2Å; D20-Y263 PolarHBondContact OD2-OH 3.12Å; D20-L264 HydrophobicContact CB-CD1 3.6Å; D20-P610 HydrophobicContact CB-CG 4.49Å; D20-P610 WeakPolarHBondContact OD1-CB 3.02Å
21I98.3Very high97.4Very high4 Ų452.1 Ų52.12%0.02127%0.274CS..Hα-helixtrans-63-45173.6-71.3164.9000110.5C5 V17 Y18 A19 A24 E25 V35 F266C5-I21 HydrophobicContact CB-CD1 4.31Å; C5-I21 HydrophobicContact CB-CG1 4.49Å; V17-I21 HydrophobicContact CG1-CD1 3.77Å; V17-I21 WeakPolarHBondContact O-CB 3.5Å; V17-I21 WeakPolarHBondContact O-CD1 3.35Å; V17-I21 VanDerWaalsContact O-CG1 3.22Å; V17-I21 WeakPolarHBondContact O-CG1 3.27Å; V17-I21 PolarHBondContact O-N 3.07Å; Y18-I21 HydrophobicContact CD1-CD1 4.32Å; Y18-I21 PolarHBondContact O-N 3.28Å; A19-I21 VanDerWaalsContact C-N 3.34Å; A19-I21 PolarHBondContact O-N 3.12Å; I21-A24 PolarHBondContact O-N 3.04Å; I21-E25 HydrophobicContact CG2-CG 4.42Å; I21-E25 WeakPolarHBondContact O-CB 3.37Å; I21-E25 VanDerWaalsContact O-CG 3.3Å; I21-E25 WeakPolarHBondContact O-CG 3.46Å; I21-E25 PolarHBondContact O-N 3.2Å; I21-V35 HydrophobicContact CD1-CG1 4.35Å; I21-V35 HydrophobicContact CD1-CG2 3.74Å; I21-F266 HydrophobicContact CB-CZ 4.49Å; I21-F266 HydrophobicContact CG1-CE1 4.38Å; I21-F266 HydrophobicContact CG1-CZ 4.06Å; I21-F266 HydrophobicContact CG2-CE1 4.44Å
22A98.4Very high97.5Very high50 Ų5050.6 Ų50.641%0.41327%0.267SS..Hα-helixtrans-63.9-41.2178.400000112.6Y18 A19 E25 Q26Y18-A22 WeakPolarHBondContact O-CB 3.36Å; Y18-A22 PolarHBondContact O-N 2.66Å; A19-A22 PolarHBondContact O-N 3.34Å; A22-E25 PolarHBondContact O-N 2.93Å; A22-Q26 WeakPolarHBondContact O-CB 3.46Å; A22-Q26 PolarHBondContact O-N 2.64Å
23E97.9Very high97.5Very high72 Ų7253.1 Ų53.134%0.33628%0.28SS..Hα-helixtrans-66.9-42.1175.8-174.759.9-149.600111.4A19 Q26 Q27 Y608A19-E23 PolarHBondContact O-N 3.08Å; E23-Q26 PolarHBondContact O-N 3.22Å; E23-Q27 WeakPolarHBondContact O-CB 3.45Å; E23-Q27 WeakPolarHBondContact O-CG 3.07Å; E23-Q27 PolarHBondContact O-N 3.15Å; E23-Q27 WeakPolarHBondContact OE1-CG 3.34Å; E23-Q27 PolarHBondContact OE1-NE2 3.15Å; E23-Y608 HydrophobicContact CG-CE2 4.44Å; E23-Y608 VanDerWaalsContact CG-OH 3.26Å; E23-Y608 WeakPolarHBondContact CG-OH 3.43Å
24A97.4Very high97.5Very high4 Ų450.1 Ų50.13%0.03327%0.266CS..Hα-helixtrans-64-40175.600000112.7D20 I21 G28 F30 F266 Y608D20-A24 VanDerWaalsContact O-CB 3.25Å; D20-A24 WeakPolarHBondContact O-CB 3.27Å; D20-A24 PolarHBondContact O-N 3.2Å; I21-A24 PolarHBondContact O-N 3.04Å; A24-G28 PolarHBondContact O-N 2.93Å; A24-F30 HydrophobicContact CB-CZ 4.22Å; A24-F30 WeakPolarHBondContact O-CE1 3.38Å; A24-F266 HydrophobicContact CB-CD2 4.45Å; A24-F266 HydrophobicContact CB-CE2 3.5Å; A24-F266 VanDerWaalsContact CB-CE2 3.5Å; A24-F266 HydrophobicContact CB-CZ 3.6Å; A24-Y608 HydrophobicContact CB-CD1 3.85Å; A24-Y608 HydrophobicContact CB-CE1 4.18Å; A24-Y608 HydrophobicContact CB-CG 4.2Å
25E97.9Very high97.6Very high26 Ų2650 Ų5012%0.12127%0.266CS..Hα-helixtrans-59.9-45.6171.7-77.9-178.5170.800111.5I21 A22 Q29 F30 K31 T32I21-E25 HydrophobicContact CG2-CG 4.42Å; I21-E25 WeakPolarHBondContact O-CB 3.37Å; I21-E25 VanDerWaalsContact O-CG 3.3Å; I21-E25 WeakPolarHBondContact O-CG 3.46Å; I21-E25 PolarHBondContact O-N 3.2Å; A22-E25 PolarHBondContact O-N 2.93Å; E25-Q29 WeakPolarHBondContact O-CA 3.4Å; E25-Q29 PolarHBondContact O-N 2.85Å; E25-F30 WeakPolarHBondContact CB-O 3.01Å; E25-F30 HydrophobicContact CG-CD2 4.03Å; E25-F30 HydrophobicContact CG-CE2 3.81Å; E25-F30 WeakPolarHBondContact CG-O 3.46Å; E25-F30 PolarHBondContact O-N 3.38Å; E25-K31 WeakPolarHBondContact OE1-CD 3.39Å; E25-K31 WeakPolarHBondContact OE1-CE 3.41Å; E25-K31 IonicContact OE1-NZ 3.49Å; E25-K31 PolarHBondContact OE1-NZ 2.82Å; E25-K31 IonicContact OE2-NZ 3.32Å; E25-K31 PolarHBondContact OE2-NZ 2.72Å; E25-T32 WeakPolarHBondContact OE1-CB 3.38Å; E25-T32 PolarHBondContact OE1-N 3.35Å; E25-T32 PolarHBondContact OE1-OG1 2.82Å
26Q97.7Very high97.6Very high146 Ų14647.4 Ų47.468%0.68225%0.252SS*.Hα-helixtrans-64.9-43.8179.2179.4173.1-38.300112.3A22 E23A22-Q26 WeakPolarHBondContact O-CB 3.46Å; A22-Q26 PolarHBondContact O-N 2.64Å; E23-Q26 PolarHBondContact O-N 3.22Å
27Q96.9Very high97.7Very high112 Ų11245.4 Ų45.452%0.52324%0.238SC..Hα-helixtrans-72.5-42.4179.3-68.9-171.918.900112.6E23E23-Q27 WeakPolarHBondContact O-CB 3.45Å; E23-Q27 WeakPolarHBondContact O-CG 3.07Å; E23-Q27 PolarHBondContact O-N 3.15Å; E23-Q27 WeakPolarHBondContact OE1-CG 3.34Å; E23-Q27 PolarHBondContact OE1-NE2 3.15Å
28G95.2Very high97.7Very high24 Ų2445.2 Ų45.225%0.24724%0.237CC..Hα-helixtrans-83.6-10.8-177.700000114.9A24 F30A24-G28 PolarHBondContact O-N 2.93Å; G28-F30 VanDerWaalsContact C-N 3.31Å; G28-F30 PolarHBondContact O-N 2.85Å
29Q95.3Very high97.7Very high184 Ų18444.6 Ų44.686%0.8624%0.235SC*.THydrogen-bonded Turntrans56.540.8-176.8-56.3-172.8-21.900113.6E25E25-Q29 WeakPolarHBondContact O-CA 3.4Å; E25-Q29 PolarHBondContact O-N 2.85Å
30F96.2Very high97.6Very high58 Ų5841.8 Ų41.825%0.25421%0.212SC..  trans-124.3171.8175.365.1-99.5000110.9K3 A24 E25 G28 F266K3-F30 HydrophobicContact CD-CB 4.33Å; K3-F30 HydrophobicContact CD-CD2 3.57Å; K3-F30 HydrophobicContact CD-CE2 4Å; K3-F30 HydrophobicContact CD-CG 3.96Å; K3-F30 HydrophobicContact CG-CD2 3.78Å; K3-F30 HydrophobicContact CG-CE2 4.15Å; A24-F30 HydrophobicContact CB-CZ 4.22Å; A24-F30 WeakPolarHBondContact O-CE1 3.38Å; E25-F30 WeakPolarHBondContact CB-O 3.01Å; E25-F30 HydrophobicContact CG-CD2 4.03Å; E25-F30 HydrophobicContact CG-CE2 3.81Å; E25-F30 WeakPolarHBondContact CG-O 3.46Å; E25-F30 PolarHBondContact O-N 3.38Å; G28-F30 VanDerWaalsContact C-N 3.31Å; G28-F30 PolarHBondContact O-N 2.85Å; F30-F266 AromaticContact CE2-CD1 3.62Å; F30-F266 HydrophobicContact CE2-CD1 3.62Å; F30-F266 AromaticContact CE2-CE1 3.73Å; F30-F266 HydrophobicContact CE2-CE1 3.73Å; F30-F266 HydrophobicContact CE2-CG 4.24Å; F30-F266 HydrophobicContact CE2-CZ 4.45Å; F30-F266 AromaticContact CZ-CD1 3.69Å; F30-F266 HydrophobicContact CZ-CD1 3.69Å; F30-F266 HydrophobicContact CZ-CD2 4.18Å; F30-F266 AromaticContact CZ-CE1 3.84Å; F30-F266 HydrophobicContact CZ-CE1 3.84Å; F30-F266 HydrophobicContact CZ-CE2 4.34Å; F30-F266 AromaticContact CZ-CG 3.87Å; F30-F266 HydrophobicContact CZ-CG 3.87Å; F30-F266 HydrophobicContact CZ-CZ 4.18Å
31K96.5Very high97.7Very high113 Ų11340.9 Ų40.949%0.49121%0.207SC..  trans-120.7137.5168.7-17567.5-156.3149.20109.3K3 E25K3-K31 WeakPolarHBondContact CB-O 3.42Å; K3-K31 VanDerWaalsContact CG-O 3.28Å; K3-K31 WeakPolarHBondContact CG-O 3.41Å; E25-K31 WeakPolarHBondContact OE1-CD 3.39Å; E25-K31 WeakPolarHBondContact OE1-CE 3.41Å; E25-K31 IonicContact OE1-NZ 3.49Å; E25-K31 PolarHBondContact OE1-NZ 2.82Å; E25-K31 IonicContact OE2-NZ 3.32Å; E25-K31 PolarHBondContact OE2-NZ 2.72Å
32T97.8Very high97.7Very high4 Ų441.7 Ų41.73%0.02521%0.21CC..  trans-84.7128174.7-43.80000109.1C5 E25 V35 V77 F266C5-T32 HydrophobicContact CB-CG2 3.72Å; E25-T32 WeakPolarHBondContact OE1-CB 3.38Å; E25-T32 PolarHBondContact OE1-N 3.35Å; E25-T32 PolarHBondContact OE1-OG1 2.82Å; T32-V35 HydrophobicContact CG2-CG2 4.49Å; T32-V77 HydrophobicContact CG2-CG1 4.21Å; T32-F266 HydrophobicContact CG2-CE1 4.41Å
33D97.7Very high97.6Very high55 Ų5539.3 Ų39.329%0.29419%0.191SC..  trans-90.9-34.6179.5-57.7-50.8000111.5V2 K3 F116V2-D33 WeakPolarHBondContact CA-OD2 3.32Å; V2-D33 HydrophobicContact CG1-CB 3.84Å; K3-D33 PolarHBondContact N-OD2 2.68Å; K3-D33 PolarHBondContact O-N 2.77Å; D33-F116 HydrophobicContact CB-CE1 3.99Å; D33-F116 HydrophobicContact CB-CZ 4.12Å; D33-F116 VanDerWaalsContact O-CZ 3.29Å; D33-F116 WeakPolarHBondContact O-CZ 3.34Å
34L98.5Very high97.6Very high0 Ų035.9 Ų35.90%018%0.175CC..EExtended strand (participates in β ladder)trans-146.3138-172.6-16768.2000112.1K3 V4 C5 L36 L78 L80 F116 I121K3-L34 PolarHBondContact O-N 2.95Å; V4-L34 CarbonylContact C-O 3.53Å; V4-L34 WeakPolarHBondContact CA-O 3.41Å; V4-L34 HydrophobicContact CG2-CB 4.44Å; C5-L34 PolarHBondContact N-O 2.74Å; L34-L36 HydrophobicContact CD2-CD2 3.65Å; L34-L36 HydrophobicContact CD2-CG 4.22Å; L34-L36 HydrophobicContact CG-CD2 3.89Å; L34-L36 HydrophobicContact CG-CG 4.4Å; L34-L78 HydrophobicContact CD1-CB 4.06Å; L34-L78 HydrophobicContact CD1-CD2 3.75Å; L34-L78 HydrophobicContact CD1-CG 3.8Å; L34-L80 HydrophobicContact CD1-CD1 4.23Å; L34-L80 HydrophobicContact CD1-CG 4.01Å; L34-L80 HydrophobicContact CD2-CD1 4.32Å; L34-F116 HydrophobicContact CB-CD1 4.13Å; L34-F116 HydrophobicContact CB-CE1 3.8Å; L34-F116 HydrophobicContact CB-CZ 4.25Å; L34-F116 HydrophobicContact CD1-CD1 4.07Å; L34-F116 HydrophobicContact CD1-CD2 4.05Å; L34-F116 HydrophobicContact CD1-CE1 4.19Å; L34-F116 HydrophobicContact CD1-CE2 4.13Å; L34-F116 HydrophobicContact CD1-CG 3.99Å; L34-F116 HydrophobicContact CD1-CZ 4.21Å; L34-F116 HydrophobicContact CD2-CB 4.36Å; L34-F116 HydrophobicContact CD2-CD1 3.76Å; L34-F116 HydrophobicContact CD2-CE1 4.3Å; L34-F116 HydrophobicContact CD2-CG 4.13Å; L34-F116 HydrophobicContact CG-CD1 4.23Å; L34-F116 HydrophobicContact CG-CE1 4.34Å; L34-I121 HydrophobicContact CD2-CD1 3.42Å; L34-I121 VanDerWaalsContact CD2-CD1 3.42Å
35V98.8Very high97.6Very high2 Ų236.3 Ų36.31%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-108.8132.6170.3-177.10000109.4C5 V7 I21 T32 V77 L78 T79 L80C5-V35 HydrophobicContact CB-CG2 4.4Å; C5-V35 CarbonylContact O-C 3.29Å; C5-V35 WeakPolarHBondContact O-CA 3.31Å; V7-V35 HydrophobicContact CG2-CG1 3.53Å; I21-V35 HydrophobicContact CD1-CG1 4.35Å; I21-V35 HydrophobicContact CD1-CG2 3.74Å; T32-V35 HydrophobicContact CG2-CG2 4.49Å; V35-V77 HydrophobicContact CG2-CB 3.92Å; V35-V77 HydrophobicContact CG2-CG1 3.84Å; V35-L78 PolarHBondContact N-O 3.41Å; V35-T79 HydrophobicContact CB-CG2 4.14Å; V35-T79 HydrophobicContact CG1-CG2 4.07Å; V35-T79 WeakPolarHBondContact O-CA 3.44Å; V35-L80 PolarHBondContact O-N 3.44Å
36L98.9Very high97.5Very high0 Ų035.6 Ų35.60%017%0.172CC..EExtended strand (participates in β ladder)trans-122.3104.1180-62.9-172.6000110.1V4 C5 V7 L34 L80 I121 I171 M173 F224V4-L36 HydrophobicContact CG1-CB 4.44Å; V4-L36 HydrophobicContact CG1-CD1 3.61Å; V4-L36 HydrophobicContact CG1-CG 3.73Å; C5-L36 PolarHBondContact O-N 3.47Å; V7-L36 PolarHBondContact N-O 3.18Å; L34-L36 HydrophobicContact CD2-CD2 3.65Å; L34-L36 HydrophobicContact CD2-CG 4.22Å; L34-L36 HydrophobicContact CG-CD2 3.89Å; L34-L36 HydrophobicContact CG-CG 4.4Å; L36-L80 WeakPolarHBondContact CA-O 3.3Å; L36-L80 HydrophobicContact CD2-CB 3.85Å; L36-L80 HydrophobicContact CD2-CD1 3.82Å; L36-L80 HydrophobicContact CD2-CG 3.98Å; L36-I121 HydrophobicContact CD2-CD1 4.39Å; L36-I121 HydrophobicContact CD2-CG2 4.48Å; L36-I171 HydrophobicContact CD1-CD1 3.74Å; L36-I171 HydrophobicContact CD1-CG2 3.98Å; L36-M173 HydrophobicContact CB-CE 3.77Å; L36-M173 HydrophobicContact CB-SD 3.8Å; L36-M173 HydrophobicContact CD1-SD 4.04Å; L36-M173 HydrophobicContact CD2-CE 4.45Å; L36-M173 HydrophobicContact CD2-SD 3.72Å; L36-M173 HydrophobicContact CG-SD 4.06Å; L36-F224 HydrophobicContact CD1-CD2 4.1Å; L36-F224 HydrophobicContact CD1-CE2 4.12Å
37C98.8Very high97.3Very high2 Ų228.8 Ų28.81%0.01414%0.141CC..EExtended strand (participates in β ladder)trans-96.4125.4178.31770000112.4V7 G8 G39 F41 L80 F81 V82 M173V7-C37 HydrophobicContact CB-CB 4.1Å; G8-C37 PolarHBondContact O-SG 3.11Å; C37-G39 PolarHBondContact O-N 2.72Å; C37-F41 HydrophobicContact CB-CD2 4.13Å; C37-L80 PolarHBondContact N-O 3.39Å; C37-F81 HydrophobicContact CB-CB 3.83Å; C37-F81 VanDerWaalsContact O-CA 3.28Å; C37-F81 WeakPolarHBondContact O-CA 3.29Å; C37-V82 PolarHBondContact O-N 2.96Å; C37-M173 WeakPolarHBondContact O-CE 3.02Å
38C98.7Very high97.1Very high0 Ų024.3 Ų24.30%012%0.122CC..  trans-86.829.1-176.4-60.10000113.5V7 H175 A226V7-C38 PolarHBondContact O-N 3.06Å; C38-H175 WeakPolarHBondContact O-CA 3.47Å; C38-H175 PolarHBondContact O-ND1 3Å; C38-A226 HydrophobicContact CB-CB 3.72Å; C38-A226 WeakPolarHBondContact O-CB 3.43Å
39G97.5Very high97.1Very high0 Ų023.3 Ų23.30%011%0.111CC..SBendtrans99.6-171.9168.300000116.8C9 L10 C37 F41 V82C9-G39 VanDerWaalsContact CA-O 3.28Å; C9-G39 WeakPolarHBondContact CA-O 3.21Å; L10-G39 PolarHBondContact N-O 3.07Å; C37-G39 PolarHBondContact O-N 2.72Å; G39-F41 PolarHBondContact O-N 2.81Å; G39-V82 WeakPolarHBondContact CA-O 3.13Å; G39-V82 PolarHBondContact N-O 2.53Å
40D98.1Very high97.1Very high1 Ų114.6 Ų14.61%0.0057%0.07CC..  trans43.147.8-155.2-68.1-27.6000111C9 L10 H11 Q42 G84 N85 H86 E87 H175C9-D40 HydrophobicContact CB-CB 4.03Å; L10-D40 PolarHBondContact N-O 2.58Å; H11-D40 IonicContact CE1-OD2 3.44Å; H11-D40 PolarHBondContact CE1-OD2 2.97Å; H11-D40 PolarHBondContact N-O 2.62Å; H11-D40 IonicContact NE2-OD2 3.56Å; H11-D40 PolarHBondContact NE2-OD2 2.98Å; D40-Q42 VanDerWaalsContact C-N 3.34Å; D40-G84 WeakPolarHBondContact OD1-CA 3.33Å; D40-N85 PolarHBondContact OD1-N 3.09Å; D40-H86 IonicContact OD1-CD2 3.6Å; D40-H86 IonicContact OD1-CG 3.36Å; D40-H86 PolarHBondContact OD1-N 2.6Å; D40-H86 IonicContact OD2-CD2 2.83Å; D40-E87 WeakPolarHBondContact CA-OE1 3.19Å; D40-E87 PolarHBondContact N-OE1 2.73Å; D40-H175 VanDerWaalsContact CG-CE1 3.46Å; D40-H175 IonicContact OD1-CE1 2.7Å; D40-H175 IonicContact OD1-NE2 3.16Å; D40-H175 IonicContact OD2-CE1 3.89Å; D40-H175 PolarHBondContact OD2-CE1 3.16Å; D40-H175 IonicContact OD2-NE2 3.89Å
41F98.6Very high97Very high1 Ų112.3 Ų12.30%0.0046%0.061CC..  trans-66-39.2-177.5-169.6-89.2000111.3L10 G12 L14 C37 G39 A43 F65 T79 F81 E87 I105L10-F41 HydrophobicContact CD2-CD1 4.4Å; L10-F41 HydrophobicContact CD2-CD2 3.56Å; L10-F41 HydrophobicContact CD2-CE1 4.43Å; L10-F41 HydrophobicContact CD2-CE2 3.6Å; L10-F41 HydrophobicContact CD2-CG 3.98Å; L10-F41 HydrophobicContact CD2-CZ 4.05Å; G12-F41 PolarHBondContact N-O 3.04Å; L14-F41 HydrophobicContact CD1-CE2 4.24Å; L14-F41 HydrophobicContact CD1-CZ 4.04Å; L14-F41 HydrophobicContact CD2-CZ 4.07Å; C37-F41 HydrophobicContact CB-CD2 4.13Å; G39-F41 PolarHBondContact O-N 2.81Å; F41-A43 HydrophobicContact CD1-CB 4.07Å; F41-F65 AromaticContact CE1-CD2 3.61Å; F41-F65 HydrophobicContact CE1-CD2 3.61Å; F41-F65 AromaticContact CE1-CE2 3.88Å; F41-F65 HydrophobicContact CE1-CE2 3.88Å; F41-F65 HydrophobicContact CE1-CG 4.44Å; F41-F65 HydrophobicContact CZ-CD2 4.39Å; F41-T79 HydrophobicContact CE2-CG2 4.16Å; F41-F81 HydrophobicContact CB-CD2 3.36Å; F41-F81 HydrophobicContact CB-CE2 3.64Å; F41-F81 HydrophobicContact CB-CG 3.99Å; F41-F81 HydrophobicContact CB-CZ 4.46Å; F41-F81 HydrophobicContact CD1-CD1 4.42Å; F41-F81 HydrophobicContact CD1-CD2 4.27Å; F41-F81 HydrophobicContact CD1-CE1 4.26Å; F41-F81 HydrophobicContact CD1-CE2 4.09Å; F41-F81 HydrophobicContact CD1-CG 4.43Å; F41-F81 HydrophobicContact CD1-CZ 4.08Å; F41-F81 HydrophobicContact CD2-CB 3.71Å; F41-F81 AromaticContact CD2-CD1 3.97Å; F41-F81 HydrophobicContact CD2-CD1 3.97Å; F41-F81 AromaticContact CD2-CD2 3.91Å; F41-F81 HydrophobicContact CD2-CD2 3.91Å; F41-F81 AromaticContact CD2-CG 3.59Å; F41-F81 HydrophobicContact CD2-CG 3.59Å; F41-F81 HydrophobicContact CE1-CE1 4.4Å; F41-F81 HydrophobicContact CE2-CB 4.29Å; F41-F81 HydrophobicContact CE2-CD1 4.13Å; F41-F81 HydrophobicContact CE2-CG 4.18Å; F41-F81 HydrophobicContact CG-CB 4.3Å; F41-F81 HydrophobicContact CG-CD1 4.13Å; F41-F81 AromaticContact CG-CD2 3.59Å; F41-F81 HydrophobicContact CG-CD2 3.59Å; F41-F81 HydrophobicContact CG-CE1 4.36Å; F41-F81 AromaticContact CG-CE2 3.84Å; F41-F81 HydrophobicContact CG-CE2 3.84Å; F41-F81 AromaticContact CG-CG 3.74Å; F41-F81 HydrophobicContact CG-CG 3.74Å; F41-F81 HydrophobicContact CG-CZ 4.22Å; F41-F81 HydrophobicContact CZ-CD1 4.44Å; F41-E87 PolarHBondContact N-OE1 3.36Å; F41-E87 PolarHBondContact N-OE2 3.4Å; F41-I105 HydrophobicContact CE1-CG2 4.18Å; F41-I105 HydrophobicContact CE2-CG2 4.33Å; F41-I105 HydrophobicContact CZ-CD1 4.39Å; F41-I105 HydrophobicContact CZ-CG2 3.64Å
42Q97.9Very high96.8Very high21 Ų217 Ų710%0.0984%0.039CC..  trans61.862.2-178-51.2-164.1-18.500112.5H11 D40 V44 M53 H86 E87H11-Q42 PolarHBondContact ND1-NE2 3.46Å; H11-Q42 PolarHBondContact O-OE1 3.16Å; D40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-V44 HydrophobicContact CB-CG2 4.33Å; Q42-V44 PolarHBondContact O-N 3.24Å; Q42-M53 HydrophobicContact CB-CE 4.04Å; Q42-M53 VanDerWaalsContact CD-CE 3.45Å; Q42-M53 HydrophobicContact CG-CE 3.79Å; Q42-H86 WeakPolarHBondContact CG-O 3.2Å; Q42-H86 PolarHBondContact NE2-O 2.83Å; Q42-E87 WeakPolarHBondContact CA-OE2 3.34Å; Q42-E87 PolarHBondContact N-OE2 3.04Å
43A98.2Very high96.7Very high0 Ų07.1 Ų7.10%04%0.039CC..  trans-69.355.6174.700000113.3F41 R45 F65 A88 Y91 L92F41-A43 HydrophobicContact CD1-CB 4.07Å; A43-R45 PolarHBondContact O-N 3.34Å; A43-F65 HydrophobicContact CB-CD1 3.96Å; A43-F65 HydrophobicContact CB-CE1 3.73Å; A43-F65 HydrophobicContact CB-CE2 4.35Å; A43-F65 HydrophobicContact CB-CG 4.33Å; A43-F65 HydrophobicContact CB-CZ 3.94Å; A43-A88 WeakPolarHBondContact O-CB 3.4Å; A43-Y91 HydrophobicContact CB-CD1 4.14Å; A43-Y91 WeakPolarHBondContact O-CD1 3.45Å; A43-L92 HydrophobicContact CB-CD2 4.19Å
44V97.9Very high96.6Very high1 Ų15.4 Ų5.41%0.0063%0.031CC..  trans-79.2114-176.9-175.60000110.1Q42 D49 L50 M53 M62 W66 A88Q42-V44 HydrophobicContact CB-CG2 4.33Å; Q42-V44 PolarHBondContact O-N 3.24Å; V44-D49 HydrophobicContact CG1-CB 4.07Å; V44-L50 HydrophobicContact CG1-CD2 3.77Å; V44-L50 HydrophobicContact CG1-CG 4.17Å; V44-L50 HydrophobicContact CG2-CD2 4.3Å; V44-M53 HydrophobicContact CG2-CE 4.05Å; V44-M53 HydrophobicContact CG2-SD 3.64Å; V44-M62 HydrophobicContact CB-CE 4.48Å; V44-M62 HydrophobicContact CG1-CE 3.62Å; V44-M62 HydrophobicContact CG1-SD 3.86Å; V44-W66 WeakPolarHBondContact O-CB 3.27Å; V44-W66 PolarHBondContact O-N 2.76Å; V44-A88 HydrophobicContact CG2-CB 4.27Å
45R96.6Very high96.4Very high12 Ų126.4 Ų6.45%0.0454%0.037CC..  trans-85.5-40.8-179.5-52.4168.8-73.7-165.8-9.3112A43 D49 F65 W66 Y69 Y91 E94 T398 Y402A43-R45 PolarHBondContact O-N 3.34Å; R45-D49 WeakPolarHBondContact CA-OD2 3.35Å; R45-D49 WeakPolarHBondContact CB-OD2 3.48Å; R45-D49 WeakPolarHBondContact CG-OD2 3.43Å; R45-D49 IonicContact CZ-OD1 3.55Å; R45-D49 IonicContact CZ-OD2 2.74Å; R45-D49 PolarHBondContact N-OD2 3.19Å; R45-D49 IonicContact NE-OD1 3.88Å; R45-D49 PolarHBondContact NE-OD1 2.84Å; R45-D49 IonicContact NE-OD2 3.85Å; R45-D49 PolarHBondContact NE-OD2 2.93Å; R45-D49 IonicContact NH2-OD1 2.77Å; R45-D49 PolarHBondContact NH2-OD1 3.33Å; R45-D49 IonicContact NH2-OD2 2.83Å; R45-F65 HydrophobicContact CG-CE1 4.34Å; R45-W66 VanDerWaalsContact O-CB 3.31Å; R45-W66 WeakPolarHBondContact O-CB 3.33Å; R45-Y69 HydrophobicContact CB-CD1 3.65Å; R45-Y69 HydrophobicContact CB-CD2 4.37Å; R45-Y69 HydrophobicContact CB-CE1 3.79Å; R45-Y69 HydrophobicContact CB-CE2 4.49Å; R45-Y69 HydrophobicContact CB-CG 3.96Å; R45-Y69 VanDerWaalsContact CD-CE2 3.45Å; R45-Y69 HydrophobicContact CG-CD1 3.9Å; R45-Y69 HydrophobicContact CG-CD2 3.66Å; R45-Y69 HydrophobicContact CG-CE1 4.04Å; R45-Y69 HydrophobicContact CG-CE2 3.82Å; R45-Y69 HydrophobicContact CG-CG 3.71Å; R45-Y91 HydrophobicContact CG-CD1 3.69Å; R45-Y91 HydrophobicContact CG-CE1 3.77Å; R45-Y91 HydrophobicContact CG-CG 4.24Å; R45-Y91 VanDerWaalsContact CZ-CD2 3.43Å; R45-E94 IonicContact CZ-OE1 3.01Å; R45-E94 IonicContact NH1-OE1 2.84Å; R45-E94 PolarHBondContact NH1-OE1 3.32Å; R45-E94 IonicContact NH1-OE2 3.57Å; R45-E94 IonicContact NH2-OE1 3.45Å; R45-E94 PolarHBondContact NH2-OE1 2.85Å; R45-E94 VanDerWaalsContact NH2-OE1 3.16Å; R45-T398 PolarHBondContact NH1-OG1 3.1Å; R45-Y402 WeakPolarHBondContact O-CB 3.12Å; R45-Y402 PolarHBondContact O-N 3.03Å
46N94.9Very high96.1Very high11 Ų118.9 Ų8.96%0.0595%0.053CC..SBendtrans-153.8171.4-178.469.757000111.6S48 D49 A400N46-S48 PolarHBondContact O-N 3.03Å; N46-S48 WeakPolarHBondContact OD1-CA 3.35Å; N46-S48 VanDerWaalsContact OD1-CB 3.23Å; N46-S48 WeakPolarHBondContact OD1-CB 3.39Å; N46-S48 PolarHBondContact OD1-N 3.14Å; N46-S48 PolarHBondContact OD1-OG 2.94Å; N46-D49 PolarHBondContact N-OD2 2.75Å; N46-D49 PolarHBondContact O-N 3.15Å; N46-A400 WeakPolarHBondContact CB-O 3.31Å; N46-A400 PolarHBondContact ND2-O 2.81Å
47P94.2Very high95.8Very high4 Ų411.7 Ų11.73%0.0267%0.073CC..THydrogen-bonded Turntrans-61.3-16.8-175.7-2534.4000115.2L50 M62 Y402 L421 Q424 A425 L428P47-L50 HydrophobicContact CB-CD1 4.19Å; P47-L50 WeakPolarHBondContact O-CB 3.29Å; P47-M62 HydrophobicContact CB-SD 4.41Å; P47-M62 HydrophobicContact CG-SD 3.93Å; P47-Y402 HydrophobicContact CG-CD2 3.67Å; P47-Y402 HydrophobicContact CG-CE2 3.72Å; P47-L421 HydrophobicContact CG-CD2 4.36Å; P47-Q424 HydrophobicContact CB-CB 3.86Å; P47-Q424 HydrophobicContact CG-CB 4.15Å; P47-A425 HydrophobicContact CB-CB 4.48Å; P47-A425 VanDerWaalsContact O-CA 3.23Å; P47-A425 WeakPolarHBondContact O-CA 3.43Å; P47-A425 WeakPolarHBondContact O-CB 3.42Å; P47-L428 HydrophobicContact CB-CD1 4.32Å
48S92.9Very high95.5Very high18 Ų1818.5 Ų18.513%0.12610%0.102CC..THydrogen-bonded Turntrans-68.6-35.5173.778.20000112.1N46 L50 T51 Q432N46-S48 PolarHBondContact O-N 3.03Å; N46-S48 WeakPolarHBondContact OD1-CA 3.35Å; N46-S48 VanDerWaalsContact OD1-CB 3.23Å; N46-S48 WeakPolarHBondContact OD1-CB 3.39Å; N46-S48 PolarHBondContact OD1-N 3.14Å; N46-S48 PolarHBondContact OD1-OG 2.94Å; S48-L50 PolarHBondContact O-N 3.16Å; S48-T51 PolarHBondContact O-N 3.39Å; S48-T51 VanDerWaalsContact O-N 3.12Å; S48-T51 PolarHBondContact O-OG1 2.97Å; S48-Q432 PolarHBondContact O-NE2 3.34Å
49D95.2Very high95.2Very high3 Ų321.7 Ų21.72%0.01612%0.115CC..G310 helixtrans-61.7-29.5-179.5-70.2-40.7000111.4V44 R45 N46 T51 T52 M53 A88V44-D49 HydrophobicContact CG1-CB 4.07Å; R45-D49 WeakPolarHBondContact CA-OD2 3.35Å; R45-D49 WeakPolarHBondContact CB-OD2 3.48Å; R45-D49 WeakPolarHBondContact CG-OD2 3.43Å; R45-D49 IonicContact CZ-OD1 3.55Å; R45-D49 IonicContact CZ-OD2 2.74Å; R45-D49 PolarHBondContact N-OD2 3.19Å; R45-D49 IonicContact NE-OD1 3.88Å; R45-D49 PolarHBondContact NE-OD1 2.84Å; R45-D49 IonicContact NE-OD2 3.85Å; R45-D49 PolarHBondContact NE-OD2 2.93Å; R45-D49 IonicContact NH2-OD1 2.77Å; R45-D49 PolarHBondContact NH2-OD1 3.33Å; R45-D49 IonicContact NH2-OD2 2.83Å; N46-D49 PolarHBondContact N-OD2 2.75Å; N46-D49 PolarHBondContact O-N 3.15Å; D49-T51 PolarHBondContact O-N 2.79Å; D49-T52 WeakPolarHBondContact O-CA 3.48Å; D49-T52 WeakPolarHBondContact O-CB 3.34Å; D49-T52 PolarHBondContact O-N 3.01Å; D49-T52 PolarHBondContact O-OG1 2.9Å; D49-M53 PolarHBondContact O-N 2.82Å; D49-A88 HydrophobicContact CB-CB 4.07Å
50L95.4Very high95.1Very high0 Ų023.4 Ų23.40%012%0.121CC..G310 helixtrans-56.3-32.5176.8-58.6173.6000113.1V44 P47 S48 T52 M53 Y60 R61 M62 L421 A425V44-L50 HydrophobicContact CG1-CD2 3.77Å; V44-L50 HydrophobicContact CG1-CG 4.17Å; V44-L50 HydrophobicContact CG2-CD2 4.3Å; P47-L50 HydrophobicContact CB-CD1 4.19Å; P47-L50 WeakPolarHBondContact O-CB 3.29Å; S48-L50 PolarHBondContact O-N 3.16Å; L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 2.85Å; L50-M53 HydrophobicContact CD2-SD 3.76Å; L50-M53 PolarHBondContact O-N 2.87Å; L50-Y60 HydrophobicContact CB-CD1 4.27Å; L50-Y60 HydrophobicContact CB-CD2 4.07Å; L50-Y60 HydrophobicContact CB-CE1 4.27Å; L50-Y60 HydrophobicContact CB-CE2 4.1Å; L50-Y60 HydrophobicContact CB-CG 4.17Å; L50-Y60 HydrophobicContact CD1-CD2 4.31Å; L50-Y60 HydrophobicContact CD1-CG 4.35Å; L50-Y60 WeakPolarHBondContact O-CE1 3.21Å; L50-Y60 PolarHBondContact O-OH 3.25Å; L50-R61 VanDerWaalsContact CD2-O 3.28Å; L50-R61 WeakPolarHBondContact CD2-O 3.26Å; L50-M62 HydrophobicContact CD1-SD 4.16Å; L50-M62 HydrophobicContact CG-SD 4.45Å; L50-L421 HydrophobicContact CD1-CB 4.43Å; L50-A425 HydrophobicContact CB-CB 4.31Å; L50-A425 HydrophobicContact CD1-CB 4.41Å
51T93.4Very high95Very high11 Ų1130.9 Ų30.97%0.06715%0.15CC..G310 helixtrans-75.6-17.5178.271.20000112.7S48 D49 K148 A425 N429 Q432S48-T51 PolarHBondContact O-N 3.39Å; S48-T51 VanDerWaalsContact O-N 3.12Å; S48-T51 PolarHBondContact O-OG1 2.97Å; D49-T51 PolarHBondContact O-N 2.79Å; T51-K148 WeakPolarHBondContact O-CE 3.4Å; T51-K148 PolarHBondContact O-NZ 3.08Å; T51-A425 HydrophobicContact CG2-CB 3.8Å; T51-N429 VanDerWaalsContact CB-OD1 3.28Å; T51-N429 WeakPolarHBondContact CB-OD1 3.42Å; T51-N429 HydrophobicContact CG2-CB 4.05Å; T51-N429 PolarHBondContact OG1-OD1 2.98Å; T51-Q432 PolarHBondContact OG1-NE2 3.05Å
52T93.7Very high94.8Very high2 Ų231.4 Ų31.41%0.01215%0.152CC..THydrogen-bonded Turntrans-85.4-15.6174.278.20000113.1D49 L50 S89 G90 Y143 K148D49-T52 WeakPolarHBondContact O-CA 3.48Å; D49-T52 WeakPolarHBondContact O-CB 3.34Å; D49-T52 PolarHBondContact O-N 3.01Å; D49-T52 PolarHBondContact O-OG1 2.9Å; L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 2.85Å; T52-S89 PolarHBondContact OG1-N 2.67Å; T52-G90 PolarHBondContact OG1-N 3.4Å; T52-G90 VanDerWaalsContact OG1-N 3.17Å; T52-Y143 HydrophobicContact CG2-CD2 4.03Å; T52-Y143 HydrophobicContact CG2-CE2 3.96Å; T52-K148 WeakPolarHBondContact O-CG 3.43Å
53M95.6Very high94.8Very high5 Ų531.6 Ų31.63%0.02516%0.159CC..SBendtrans-76.3132.7177.7-57.1174.779.300111.1Q42 V44 D49 L50 V55 H86 E87 K148Q42-M53 HydrophobicContact CB-CE 4.04Å; Q42-M53 VanDerWaalsContact CD-CE 3.45Å; Q42-M53 HydrophobicContact CG-CE 3.79Å; V44-M53 HydrophobicContact CG2-CE 4.05Å; V44-M53 HydrophobicContact CG2-SD 3.64Å; D49-M53 PolarHBondContact O-N 2.82Å; L50-M53 HydrophobicContact CD2-SD 3.76Å; L50-M53 PolarHBondContact O-N 2.87Å; M53-V55 HydrophobicContact CB-CB 4.26Å; M53-V55 HydrophobicContact CB-CG2 4.09Å; M53-V55 HydrophobicContact CE-CG2 4.32Å; M53-V55 PolarHBondContact O-N 3.39Å; M53-H86 WeakPolarHBondContact CE-O 2.91Å; M53-E87 WeakPolarHBondContact CA-O 3.36Å; M53-E87 WeakPolarHBondContact CG-O 3.33Å; M53-K148 WeakPolarHBondContact O-CD 3.4Å
54S95.2Very high94.8Very high19 Ų1932.8 Ų32.813%0.13317%0.166CC..SBendtrans-75.668.4168.7-170.50000110.5H86 R149 Y152S54-H86 PolarHBondContact O-ND1 3.39Å; S54-R149 WeakPolarHBondContact OG-CG 3.5Å; S54-Y152 PolarHBondContact OG-OH 2.89Å
55V93Very high94.8Very high22 Ų2232.8 Ų32.813%0.13317%0.166CC..SBendtrans-140.8130.1-177.2175.80000108.4M53 S57 Y60 H86M53-V55 HydrophobicContact CB-CB 4.26Å; M53-V55 HydrophobicContact CB-CG2 4.09Å; M53-V55 HydrophobicContact CE-CG2 4.32Å; M53-V55 PolarHBondContact O-N 3.39Å; V55-S57 PolarHBondContact O-N 2.93Å; V55-Y60 WeakPolarHBondContact O-CE1 3.47Å; V55-H86 HydrophobicContact CG2-CB 3.86Å
56P93.1Very high94.8Very high53 Ų5333.5 Ų33.534%0.34417%0.169SC..  trans-58.4135.5174.1-24.733.3000111.8K58 Y59P56-K58 HydrophobicContact CB-CG 4.13Å; P56-K58 PolarHBondContact O-N 3.33Å; P56-Y59 HydrophobicContact CB-CD2 3.99Å; P56-Y59 HydrophobicContact CB-CE2 4.37Å; P56-Y59 HydrophobicContact CG-CD2 4.16Å; P56-Y59 HydrophobicContact CG-CE2 4.36Å; P56-Y59 PolarHBondContact O-N 3.4Å
57S92.1Very high95Very high60 Ų6035.5 Ų35.542%0.4218%0.175SC..G310 helixtrans-58.5-18.8-171.559.60000116V55 Y59 Y60 V422V55-S57 PolarHBondContact O-N 2.93Å; S57-Y59 PolarHBondContact O-N 3.05Å; S57-Y60 PolarHBondContact O-N 3.49Å; S57-V422 WeakPolarHBondContact O-CG2 3.41Å
58K93Very high95.2Very high145 Ų14536 Ų3663%0.6318%0.177SC*.G310 helixtrans-64.6-18.5170.256.7163.1168.8154.60114.2P56P56-K58 HydrophobicContact CB-CG 4.13Å; P56-K58 PolarHBondContact O-N 3.33Å
59Y93.4Very high95.4Very high67 Ų6735.1 Ų35.126%0.26317%0.171SC..G310 helixtrans-1066.8179.3-58.8-66.1000113.1P56 S57 R61 L569P56-Y59 HydrophobicContact CB-CD2 3.99Å; P56-Y59 HydrophobicContact CB-CE2 4.37Å; P56-Y59 HydrophobicContact CG-CD2 4.16Å; P56-Y59 HydrophobicContact CG-CE2 4.36Å; P56-Y59 PolarHBondContact O-N 3.4Å; S57-Y59 PolarHBondContact O-N 3.05Å; Y59-R61 PolarHBondContact O-N 3.03Å; Y59-L569 HydrophobicContact CD1-CD1 3.85Å; Y59-L569 HydrophobicContact CD2-CD1 3.45Å; Y59-L569 VanDerWaalsContact CD2-CD1 3.45Å; Y59-L569 HydrophobicContact CE1-CB 4.14Å; Y59-L569 HydrophobicContact CE1-CD1 3.85Å; Y59-L569 HydrophobicContact CE2-CD1 3.45Å; Y59-L569 VanDerWaalsContact CE2-CD1 3.45Å; Y59-L569 HydrophobicContact CG-CD1 3.65Å
60Y94.9Very high95.6Very high35 Ų3535.4 Ų35.414%0.13717%0.174CC..  trans-60.1121.8177.3-76.8-5.2000112L50 V55 S57 V422 A425L50-Y60 HydrophobicContact CB-CD1 4.27Å; L50-Y60 HydrophobicContact CB-CD2 4.07Å; L50-Y60 HydrophobicContact CB-CE1 4.27Å; L50-Y60 HydrophobicContact CB-CE2 4.1Å; L50-Y60 HydrophobicContact CB-CG 4.17Å; L50-Y60 HydrophobicContact CD1-CD2 4.31Å; L50-Y60 HydrophobicContact CD1-CG 4.35Å; L50-Y60 WeakPolarHBondContact O-CE1 3.21Å; L50-Y60 PolarHBondContact O-OH 3.25Å; V55-Y60 WeakPolarHBondContact O-CE1 3.47Å; S57-Y60 PolarHBondContact O-N 3.49Å; Y60-V422 HydrophobicContact CD2-CG2 4.02Å; Y60-A425 HydrophobicContact CE2-CB 4.31Å
61R95.4Very high95.6Very high159 Ų15940.2 Ų40.260%0.620%0.196SC*.  trans-136.3145.1172.8-61.9-178.1-176.6-169.21.5108.1E13 L50 Y59 G63E13-R61 IonicContact OE1-NH1 2.97Å; E13-R61 PolarHBondContact OE1-NH1 2.81Å; L50-R61 VanDerWaalsContact CD2-O 3.28Å; L50-R61 WeakPolarHBondContact CD2-O 3.26Å; Y59-R61 PolarHBondContact O-N 3.03Å; R61-G63 VanDerWaalsContact C-N 3.27Å
62M95.8Very high95.8Very high12 Ų1245.7 Ų45.76%0.05922%0.221CC..  trans-74.7-18.2173.6-79-59.7-4700113.3V44 P47 L50 W66 Y402 L421V44-M62 HydrophobicContact CB-CE 4.48Å; V44-M62 HydrophobicContact CG1-CE 3.62Å; V44-M62 HydrophobicContact CG1-SD 3.86Å; P47-M62 HydrophobicContact CB-SD 4.41Å; P47-M62 HydrophobicContact CG-SD 3.93Å; L50-M62 HydrophobicContact CD1-SD 4.16Å; L50-M62 HydrophobicContact CG-SD 4.45Å; M62-W66 HydrophobicContact CE-CB 3.87Å; M62-W66 HydrophobicContact CE-CG 4Å; M62-Y402 HydrophobicContact CB-CD1 4.46Å; M62-Y402 HydrophobicContact CB-CE1 4.3Å; M62-Y402 HydrophobicContact CE-CD1 3.97Å; M62-Y402 HydrophobicContact CE-CG 3.92Å; M62-Y402 HydrophobicContact CG-CD1 4Å; M62-Y402 HydrophobicContact CG-CE1 3.76Å; M62-Y402 HydrophobicContact CG-CG 4.48Å; M62-Y402 HydrophobicContact SD-CD1 4.46Å; M62-Y402 HydrophobicContact SD-CG 4.41Å; M62-L421 HydrophobicContact CG-CD1 4.31Å; M62-L421 HydrophobicContact CG-CD2 3.79Å; M62-L421 HydrophobicContact SD-CD2 4.48Å
63G96.4Very high95.9Very high24 Ų2447.4 Ų47.425%0.24723%0.233CC..THydrogen-bonded Turntrans56.7-155-171.300000112.5R61 W66R61-G63 VanDerWaalsContact C-N 3.27Å; G63-W66 VanDerWaalsContact O-CD1 3.23Å; G63-W66 PolarHBondContact O-NE1 2.8Å
64D97.9Very high96Very high26 Ų2653.8 Ų53.814%0.13926%0.257CS..THydrogen-bonded Turntrans-100.1-26.7-178.7-60-34.3000113.5G12 L14 D15 W66 R67 Y68G12-D64 PolarHBondContact O-N 3.08Å; L14-D64 HydrophobicContact CB-CB 4.07Å; L14-D64 PolarHBondContact N-OD2 2.79Å; L14-D64 VanDerWaalsContact N-OD2 3.15Å; D15-D64 HydrophobicContact CB-CB 4.48Å; D15-D64 WeakPolarHBondContact CB-OD2 3.49Å; D15-D64 PolarHBondContact N-OD2 2.7Å; D64-W66 VanDerWaalsContact C-N 3.26Å; D64-W66 PolarHBondContact O-N 3.06Å; D64-W66 VanDerWaalsContact O-N 3.07Å; D64-R67 PolarHBondContact O-N 2.68Å; D64-R67 IonicContact OD1-CZ 3.25Å; D64-R67 IonicContact OD1-NH1 3.2Å; D64-R67 IonicContact OD1-NH2 2.97Å; D64-R67 PolarHBondContact OD1-NH2 3.32Å; D64-Y68 HydrophobicContact CB-CE2 4.37Å
65F98.6Very high96.2Very high1 Ų153 Ų530%0.00425%0.252CS..Hα-helixtrans-54.6-36-167.3-179.9-100.1000114.6L14 F41 A43 R45 R67 Y68 Y69 Y91 V101 A102 I105L14-F65 HydrophobicContact CD2-CD2 4.2Å; F41-F65 AromaticContact CE1-CD2 3.61Å; F41-F65 HydrophobicContact CE1-CD2 3.61Å; F41-F65 AromaticContact CE1-CE2 3.88Å; F41-F65 HydrophobicContact CE1-CE2 3.88Å; F41-F65 HydrophobicContact CE1-CG 4.44Å; F41-F65 HydrophobicContact CZ-CD2 4.39Å; A43-F65 HydrophobicContact CB-CD1 3.96Å; A43-F65 HydrophobicContact CB-CE1 3.73Å; A43-F65 HydrophobicContact CB-CE2 4.35Å; A43-F65 HydrophobicContact CB-CG 4.33Å; A43-F65 HydrophobicContact CB-CZ 3.94Å; R45-F65 HydrophobicContact CG-CE1 4.34Å; F65-R67 PolarHBondContact O-N 3Å; F65-Y68 WeakPolarHBondContact O-CA 3.19Å; F65-Y68 WeakPolarHBondContact O-CB 3.28Å; F65-Y68 PolarHBondContact O-N 3.28Å; F65-Y69 HydrophobicContact CE1-CG 4.46Å; F65-Y69 PolarHBondContact O-N 3.17Å; F65-Y91 HydrophobicContact CE1-CD1 4.4Å; F65-Y91 AromaticContact CE1-CE1 3.97Å; F65-Y91 HydrophobicContact CE1-CE1 3.97Å; F65-Y91 HydrophobicContact CZ-CE1 4.19Å; F65-V101 HydrophobicContact CE2-CB 4.4Å; F65-V101 HydrophobicContact CE2-CG2 3.79Å; F65-V101 HydrophobicContact CZ-CB 3.79Å; F65-V101 HydrophobicContact CZ-CG2 3.69Å; F65-V101 WeakPolarHBondContact CZ-O 3.32Å; F65-A102 HydrophobicContact CE2-CB 3.93Å; F65-A102 HydrophobicContact CZ-CB 4.03Å; F65-I105 HydrophobicContact CD2-CD1 4.45Å; F65-I105 HydrophobicContact CE2-CD1 4.16Å
66W97.7Very high96.4Very high26 Ų2655.9 Ų55.910%0.09827%0.27CS..Hα-helixtrans-55.3-27.4178.867-87.3000113.6V44 R45 M62 G63 D64 A70 Y402 P404V44-W66 WeakPolarHBondContact O-CB 3.27Å; V44-W66 PolarHBondContact O-N 2.76Å; R45-W66 VanDerWaalsContact O-CB 3.31Å; R45-W66 WeakPolarHBondContact O-CB 3.33Å; M62-W66 HydrophobicContact CE-CB 3.87Å; M62-W66 HydrophobicContact CE-CG 4Å; G63-W66 VanDerWaalsContact O-CD1 3.23Å; G63-W66 PolarHBondContact O-NE1 2.8Å; D64-W66 VanDerWaalsContact C-N 3.26Å; D64-W66 PolarHBondContact O-N 3.06Å; D64-W66 VanDerWaalsContact O-N 3.07Å; W66-A70 WeakPolarHBondContact O-CB 3.35Å; W66-A70 PolarHBondContact O-N 2.71Å; W66-Y402 AromaticContact CD2-CD1 3.69Å; W66-Y402 HydrophobicContact CD2-CD1 3.69Å; W66-Y402 HydrophobicContact CD2-CG 4.44Å; W66-Y402 AromaticContact CE2-CD1 3.8Å; W66-Y402 HydrophobicContact CE3-CD1 4Å; W66-Y402 HydrophobicContact CG-CD1 4.06Å; W66-Y402 HydrophobicContact CH2-CD1 4.49Å; W66-Y402 HydrophobicContact CZ2-CD1 4.21Å; W66-Y402 HydrophobicContact CZ3-CD1 4.39Å; W66-P404 HydrophobicContact CH2-CG 4.08Å
67R98Very high96.6Very high54 Ų5453.7 Ų53.720%0.20426%0.256CS..Hα-helixtrans-71.3-35.3174.5-67.1-171-68.7-76.712.8112.6D15 D64 F65 E71 E72 S73D15-R67 IonicContact OD1-NH2 3.31Å; D15-R67 IonicContact OD2-CZ 2.72Å; D15-R67 IonicContact OD2-NE 2.7Å; D15-R67 IonicContact OD2-NH2 3.02Å; D15-R67 PolarHBondContact OD2-NH2 2.94Å; D64-R67 PolarHBondContact O-N 2.68Å; D64-R67 IonicContact OD1-CZ 3.25Å; D64-R67 IonicContact OD1-NH1 3.2Å; D64-R67 IonicContact OD1-NH2 2.97Å; D64-R67 PolarHBondContact OD1-NH2 3.32Å; F65-R67 PolarHBondContact O-N 3Å; R67-E71 PolarHBondContact O-N 3.49Å; R67-E72 HydrophobicContact CB-CB 4.44Å; R67-E72 PolarHBondContact O-N 2.87Å; R67-S73 PolarHBondContact O-N 3.01Å; R67-S73 VanDerWaalsContact O-N 3.09Å
68Y98.5Very high96.9Very high14 Ų1451.4 Ų51.46%0.05524%0.239CC..Hα-helixtrans-72.6-43.3175.5-62.3-98.1000110.7L14 D15 Y18 D64 F65 A70 E71 S73 I105L14-Y68 HydrophobicContact CB-CE2 4.42Å; L14-Y68 HydrophobicContact CD2-CD1 4.33Å; L14-Y68 HydrophobicContact CD2-CD2 3.67Å; L14-Y68 HydrophobicContact CD2-CE1 4.34Å; L14-Y68 HydrophobicContact CD2-CE2 3.69Å; L14-Y68 HydrophobicContact CD2-CG 4.02Å; L14-Y68 HydrophobicContact CG-CE2 4.07Å; D15-Y68 WeakPolarHBondContact OD1-CE2 3.2Å; D15-Y68 VanDerWaalsContact OD1-CZ 3.28Å; D15-Y68 PolarHBondContact OD1-OH 3.29Å; Y18-Y68 HydrophobicContact CD2-CE1 4.16Å; Y18-Y68 WeakPolarHBondContact CD2-OH 3.45Å; Y18-Y68 AromaticContact CE2-CE1 3.75Å; Y18-Y68 HydrophobicContact CE2-CE1 3.75Å; Y18-Y68 AromaticContact CE2-CZ 3.93Å; D64-Y68 HydrophobicContact CB-CE2 4.37Å; F65-Y68 WeakPolarHBondContact O-CA 3.19Å; F65-Y68 WeakPolarHBondContact O-CB 3.28Å; F65-Y68 PolarHBondContact O-N 3.28Å; Y68-A70 VanDerWaalsContact C-N 3.32Å; Y68-A70 PolarHBondContact O-N 2.86Å; Y68-E71 PolarHBondContact O-N 3.05Å; Y68-E71 VanDerWaalsContact O-N 3.1Å; Y68-S73 WeakPolarHBondContact CA-O 3.34Å; Y68-I105 HydrophobicContact CD1-CD1 4.09Å; Y68-I105 HydrophobicContact CG-CD1 4.22Å
69Y98.3Very high97.2Very high0 Ų044.6 Ų44.60%021%0.21CC..Hα-helixtrans-63-36.5173.1175.2-95.7000112.8R45 F65 E71 Y91 F395 R397 T398 A399 I401R45-Y69 HydrophobicContact CB-CD1 3.65Å; R45-Y69 HydrophobicContact CB-CD2 4.37Å; R45-Y69 HydrophobicContact CB-CE1 3.79Å; R45-Y69 HydrophobicContact CB-CE2 4.49Å; R45-Y69 HydrophobicContact CB-CG 3.96Å; R45-Y69 VanDerWaalsContact CD-CE2 3.45Å; R45-Y69 HydrophobicContact CG-CD1 3.9Å; R45-Y69 HydrophobicContact CG-CD2 3.66Å; R45-Y69 HydrophobicContact CG-CE1 4.04Å; R45-Y69 HydrophobicContact CG-CE2 3.82Å; R45-Y69 HydrophobicContact CG-CG 3.71Å; F65-Y69 HydrophobicContact CE1-CG 4.46Å; F65-Y69 PolarHBondContact O-N 3.17Å; Y69-E71 PolarHBondContact O-N 2.79Å; Y69-Y91 HydrophobicContact CD2-CE1 4.19Å; Y69-Y91 HydrophobicContact CE2-CE1 4.44Å; Y69-Y91 AromaticContact CE2-CZ 4Å; Y69-F395 HydrophobicContact CD2-CE2 4.1Å; Y69-F395 AromaticContact CD2-CZ 3.73Å; Y69-F395 HydrophobicContact CD2-CZ 3.73Å; Y69-F395 HydrophobicContact CE2-CE2 4.22Å; Y69-F395 AromaticContact CE2-CZ 3.93Å; Y69-F395 HydrophobicContact CE2-CZ 3.93Å; Y69-R397 HydrophobicContact CE1-CB 4.39Å; Y69-R397 HydrophobicContact CE1-CG 4.14Å; Y69-R397 HydrophobicContact CE2-CB 4.31Å; Y69-R397 HydrophobicContact CE2-CG 4.05Å; Y69-R397 VanDerWaalsContact O-CD 3.25Å; Y69-R397 WeakPolarHBondContact O-CD 3.47Å; Y69-R397 WeakPolarHBondContact O-CG 3.34Å; Y69-R397 VanDerWaalsContact OH-C 3.26Å; Y69-R397 VanDerWaalsContact OH-CA 3.28Å; Y69-R397 WeakPolarHBondContact OH-CA 3.47Å; Y69-R397 WeakPolarHBondContact OH-CB 3.11Å; Y69-T398 PolarHBondContact OH-N 2.88Å; Y69-A399 WeakPolarHBondContact CE1-O 3.46Å; Y69-A399 PolarHBondContact OH-N 3.33Å; Y69-A399 PolarHBondContact OH-O 2.96Å; Y69-I401 HydrophobicContact CD1-CG2 4.22Å; Y69-I401 HydrophobicContact CE1-CG2 4.02Å
70A97.5Very high97.4Very high9 Ų941.4 Ų41.47%0.07420%0.197CC..THydrogen-bonded Turntrans-76.2-5.7174.500000113.9W66 Y68 E72 I401W66-A70 WeakPolarHBondContact O-CB 3.35Å; W66-A70 PolarHBondContact O-N 2.71Å; Y68-A70 VanDerWaalsContact C-N 3.32Å; Y68-A70 PolarHBondContact O-N 2.86Å; A70-E72 HydrophobicContact CB-CG 4.12Å; A70-E72 PolarHBondContact O-N 3.45Å; A70-I401 HydrophobicContact CB-CB 4.16Å; A70-I401 HydrophobicContact CB-CG2 3.79Å
71E97.2Very high97.6Very high101 Ų10139.8 Ų39.847%0.47219%0.191SC..THydrogen-bonded Turntrans64.716.4-176-50.6174.5-101.500114.2R67 Y68 Y69 S73 P103 F395 R397R67-E71 PolarHBondContact O-N 3.49Å; Y68-E71 PolarHBondContact O-N 3.05Å; Y68-E71 VanDerWaalsContact O-N 3.1Å; Y69-E71 PolarHBondContact O-N 2.79Å; E71-S73 VanDerWaalsContact C-N 3.25Å; E71-P103 HydrophobicContact CG-CG 4.14Å; E71-F395 HydrophobicContact CG-CE1 4.03Å; E71-R397 IonicContact OE1-CZ 3.39Å; E71-R397 IonicContact OE1-NE 2.68Å; E71-R397 PolarHBondContact OE1-NE 3.33Å; E71-R397 IonicContact OE1-NH2 2.69Å; E71-R397 PolarHBondContact OE1-NH2 3.07Å
72E96.3Very high97.8Very high125 Ų12532.2 Ų32.258%0.58416%0.162SC*.SBendtrans-71.8-23.8168.6-61.9-175.8173.400111.7R67 A70R67-E72 HydrophobicContact CB-CB 4.44Å; R67-E72 PolarHBondContact O-N 2.87Å; A70-E72 HydrophobicContact CB-CG 4.12Å; A70-E72 PolarHBondContact O-N 3.45Å
73S97.1Very high97.9Very high38 Ų3831.7 Ų31.727%0.26616%0.16SC..SBendtrans-131.4153173.5-64.30000110.2R67 Y68 E71R67-S73 PolarHBondContact O-N 3.01Å; R67-S73 VanDerWaalsContact O-N 3.09Å; Y68-S73 WeakPolarHBondContact CA-O 3.34Å; E71-S73 VanDerWaalsContact C-N 3.25Å
74R97.2Very high98Very high140 Ų14030.6 Ų30.653%0.52815%0.149SC..  trans-127138.8171.8-173.4172.2-176.7118.3-0.4108.8P103 D393R74-P103 HydrophobicContact CG-CB 4.37Å; R74-D393 IonicContact NH1-OD2 3.61Å; R74-D393 IonicContact NH2-OD2 3.18Å; R74-D393 PolarHBondContact NH2-OD2 2.86Å
75A97.9Very high98Very high3 Ų329.9 Ų29.93%0.02515%0.145CC..  trans-61.2126.6177.100000110.6Y18 V77 N104 I105Y18-A75 HydrophobicContact CE1-CB 4.47Å; Y18-A75 HydrophobicContact CE2-CB 4.05Å; Y18-A75 WeakPolarHBondContact OH-CB 3.32Å; A75-V77 VanDerWaalsContact C-N 3.25Å; A75-V77 PolarHBondContact O-N 3.19Å; A75-N104 HydrophobicContact CB-CB 4.18Å; A75-N104 PolarHBondContact O-ND2 3.03Å; A75-I105 HydrophobicContact CB-CD1 4Å; A75-I105 HydrophobicContact CB-CG1 3.58Å
76P97.5Very high97.9Very high81 Ų8131.6 Ų31.653%0.52615%0.153SC..SBendtrans-75-13.2-174.930.4-36.3000113.8Y18Y18-P76 HydrophobicContact CD1-CG 3.69Å; Y18-P76 HydrophobicContact CD2-CG 4.32Å; Y18-P76 HydrophobicContact CE1-CG 4.25Å; Y18-P76 HydrophobicContact CG-CG 3.76Å
77V97.6Very high97.9Very high7 Ų730.4 Ų30.44%0.04215%0.148CC..SBendtrans-139.5143.4178-175.20000107.4T32 V35 A75 T79 N104T32-V77 HydrophobicContact CG2-CG1 4.21Å; V35-V77 HydrophobicContact CG2-CB 3.92Å; V35-V77 HydrophobicContact CG2-CG1 3.84Å; A75-V77 VanDerWaalsContact C-N 3.25Å; A75-V77 PolarHBondContact O-N 3.19Å; V77-T79 PolarHBondContact O-N 2.9Å; V77-T79 PolarHBondContact O-OG1 2.99Å; V77-N104 VanDerWaalsContact C-ND2 3.27Å; V77-N104 PolarHBondContact O-ND2 3.05Å
78L98.4Very high97.8Very high13 Ų1327.9 Ų27.97%0.06814%0.139CC..EExtended strand (participates in β ladder)trans-57.2126.3176.5176.163.1000109.4L34 V35 L80 W100 N104 F116 L334L34-L78 HydrophobicContact CD1-CB 4.06Å; L34-L78 HydrophobicContact CD1-CD2 3.75Å; L34-L78 HydrophobicContact CD1-CG 3.8Å; V35-L78 PolarHBondContact N-O 3.41Å; L78-L80 HydrophobicContact CD1-CD2 4.29Å; L78-L80 HydrophobicContact CD2-CD2 4.33Å; L78-L80 HydrophobicContact CG-CD2 4.15Å; L78-W100 HydrophobicContact CD1-CH2 3.68Å; L78-W100 HydrophobicContact CD1-CZ3 3.6Å; L78-N104 VanDerWaalsContact CA-OD1 3.3Å; L78-N104 WeakPolarHBondContact CA-OD1 3.42Å; L78-N104 WeakPolarHBondContact CB-OD1 3.37Å; L78-N104 WeakPolarHBondContact CD1-OD1 3.32Å; L78-N104 PolarHBondContact N-ND2 3.15Å; L78-F116 HydrophobicContact CD2-CD2 3.5Å; L78-F116 VanDerWaalsContact CD2-CD2 3.5Å; L78-F116 HydrophobicContact CD2-CE2 3.57Å; L78-L334 HydrophobicContact CD2-CB 4.11Å; L78-L334 HydrophobicContact CD2-CD1 4.33Å
79T98.8Very high97.7Very high2 Ų227.4 Ų27.41%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-121.3115.8-173.9-61.70000110.2Y18 V35 F41 V77 N104 I105 W106Y18-T79 PolarHBondContact OH-OG1 3.12Å; V35-T79 HydrophobicContact CB-CG2 4.14Å; V35-T79 HydrophobicContact CG1-CG2 4.07Å; V35-T79 WeakPolarHBondContact O-CA 3.44Å; F41-T79 HydrophobicContact CE2-CG2 4.16Å; V77-T79 PolarHBondContact O-N 2.9Å; V77-T79 PolarHBondContact O-OG1 2.99Å; T79-N104 PolarHBondContact N-O 2.78Å; T79-I105 HydrophobicContact CG2-CG2 4.44Å; T79-I105 CarbonylContact O-C 3.59Å; T79-I105 WeakPolarHBondContact O-CA 3.34Å; T79-W106 PolarHBondContact O-N 2.94Å
80L98.9Very high97.5Very high0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans-100.5140.4172.2-43.8-176.9000108.9L34 V35 L36 C37 L78 W106 M108 V114 I121 L334L34-L80 HydrophobicContact CD1-CD1 4.23Å; L34-L80 HydrophobicContact CD1-CG 4.01Å; L34-L80 HydrophobicContact CD2-CD1 4.32Å; V35-L80 PolarHBondContact O-N 3.44Å; L36-L80 WeakPolarHBondContact CA-O 3.3Å; L36-L80 HydrophobicContact CD2-CB 3.85Å; L36-L80 HydrophobicContact CD2-CD1 3.82Å; L36-L80 HydrophobicContact CD2-CG 3.98Å; C37-L80 PolarHBondContact N-O 3.39Å; L78-L80 HydrophobicContact CD1-CD2 4.29Å; L78-L80 HydrophobicContact CD2-CD2 4.33Å; L78-L80 HydrophobicContact CG-CD2 4.15Å; L80-W106 WeakPolarHBondContact CA-O 3.29Å; L80-W106 HydrophobicContact CD2-CB 3.72Å; L80-W106 HydrophobicContact CD2-CG 4.16Å; L80-M108 HydrophobicContact CB-SD 4.4Å; L80-M108 HydrophobicContact CD1-SD 4.46Å; L80-V114 HydrophobicContact CD1-CG2 3.88Å; L80-I121 HydrophobicContact CD1-CD1 4.08Å; L80-I121 HydrophobicContact CD1-CG2 4.36Å; L80-L334 HydrophobicContact CD1-CD1 4.35Å; L80-L334 HydrophobicContact CD2-CD1 3.98Å; L80-L334 HydrophobicContact CD2-CD2 3.93Å
81F98.9Very high97.4Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-141.5149.4172.876.5-78.1000113.6C37 F41 L92 V101 I105 W106 Y107 M108C37-F81 HydrophobicContact CB-CB 3.83Å; C37-F81 VanDerWaalsContact O-CA 3.28Å; C37-F81 WeakPolarHBondContact O-CA 3.29Å; F41-F81 HydrophobicContact CB-CD2 3.36Å; F41-F81 HydrophobicContact CB-CE2 3.64Å; F41-F81 HydrophobicContact CB-CG 3.99Å; F41-F81 HydrophobicContact CB-CZ 4.46Å; F41-F81 HydrophobicContact CD1-CD1 4.42Å; F41-F81 HydrophobicContact CD1-CD2 4.27Å; F41-F81 HydrophobicContact CD1-CE1 4.26Å; F41-F81 HydrophobicContact CD1-CE2 4.09Å; F41-F81 HydrophobicContact CD1-CG 4.43Å; F41-F81 HydrophobicContact CD1-CZ 4.08Å; F41-F81 HydrophobicContact CD2-CB 3.71Å; F41-F81 AromaticContact CD2-CD1 3.97Å; F41-F81 HydrophobicContact CD2-CD1 3.97Å; F41-F81 AromaticContact CD2-CD2 3.91Å; F41-F81 HydrophobicContact CD2-CD2 3.91Å; F41-F81 AromaticContact CD2-CG 3.59Å; F41-F81 HydrophobicContact CD2-CG 3.59Å; F41-F81 HydrophobicContact CE1-CE1 4.4Å; F41-F81 HydrophobicContact CE2-CB 4.29Å; F41-F81 HydrophobicContact CE2-CD1 4.13Å; F41-F81 HydrophobicContact CE2-CG 4.18Å; F41-F81 HydrophobicContact CG-CB 4.3Å; F41-F81 HydrophobicContact CG-CD1 4.13Å; F41-F81 AromaticContact CG-CD2 3.59Å; F41-F81 HydrophobicContact CG-CD2 3.59Å; F41-F81 HydrophobicContact CG-CE1 4.36Å; F41-F81 AromaticContact CG-CE2 3.84Å; F41-F81 HydrophobicContact CG-CE2 3.84Å; F41-F81 AromaticContact CG-CG 3.74Å; F41-F81 HydrophobicContact CG-CG 3.74Å; F41-F81 HydrophobicContact CG-CZ 4.22Å; F41-F81 HydrophobicContact CZ-CD1 4.44Å; F81-L92 HydrophobicContact CE2-CD1 4.21Å; F81-L92 HydrophobicContact CE2-CD2 4Å; F81-L92 HydrophobicContact CZ-CD2 3.82Å; F81-V101 HydrophobicContact CE1-CG1 4.3Å; F81-V101 HydrophobicContact CE1-CG2 3.61Å; F81-V101 HydrophobicContact CZ-CG1 4.14Å; F81-V101 HydrophobicContact CZ-CG2 4.05Å; F81-I105 HydrophobicContact CD1-CG2 4.18Å; F81-I105 HydrophobicContact CE1-CG2 4.12Å; F81-W106 VanDerWaalsContact CD1-O 3.27Å; F81-W106 WeakPolarHBondContact CD1-O 3.39Å; F81-W106 PolarHBondContact N-O 3.09Å; F81-Y107 HydrophobicContact CD2-CD2 4.05Å; F81-Y107 HydrophobicContact CE1-CD2 4.28Å; F81-Y107 HydrophobicContact CE1-CG 4.38Å; F81-Y107 AromaticContact CE2-CD2 3.53Å; F81-Y107 HydrophobicContact CE2-CD2 3.53Å; F81-Y107 HydrophobicContact CE2-CE2 4.26Å; F81-Y107 HydrophobicContact CE2-CG 4.22Å; F81-Y107 AromaticContact CZ-CD2 3.68Å; F81-Y107 HydrophobicContact CZ-CD2 3.68Å; F81-Y107 AromaticContact CZ-CG 3.89Å; F81-Y107 HydrophobicContact CZ-CG 3.89Å; F81-M108 WeakPolarHBondContact O-CB 3.29Å; F81-M108 VanDerWaalsContact O-CG 3.31Å; F81-M108 WeakPolarHBondContact O-CG 3.39Å; F81-M108 PolarHBondContact O-N 3.43Å
82V98.9Very high97.5Very high0 Ų023 Ų230%012%0.118CC..  trans-96.9152.4164.1-660000108.9C37 G39 M108 M173C37-V82 PolarHBondContact O-N 2.96Å; G39-V82 WeakPolarHBondContact CA-O 3.13Å; G39-V82 PolarHBondContact N-O 2.53Å; V82-M108 HydrophobicContact CG1-CB 4.01Å; V82-M108 HydrophobicContact CG1-CG 4.21Å; V82-M173 HydrophobicContact CG1-CB 3.91Å; V82-M173 HydrophobicContact CG2-CB 4.35Å
83G98.5Very high97.5Very high2 Ų217.2 Ų17.22%0.0219%0.092CC..  trans-78.1144178.300000112.3E87 S125 G126 H175G83-E87 WeakPolarHBondContact CA-OE1 3.37Å; G83-S125 PolarHBondContact N-OG 2.82Å; G83-G126 PolarHBondContact O-N 2.92Å; G83-H175 WeakPolarHBondContact O-CB 3.45Å
84G98.1Very high97.4Very high0 Ų016.1 Ų16.10%08%0.082CC..  trans-97.3-152.8168.100000114.1D40 E87 H175D40-G84 WeakPolarHBondContact OD1-CA 3.33Å; G84-E87 VanDerWaalsContact N-CG 3.32Å; G84-E87 PolarHBondContact N-OE1 3.41Å; G84-E87 WeakPolarHBondContact O-CG 3.44Å; G84-H175 VanDerWaalsContact CA-CD2 3.45Å; G84-H175 WeakPolarHBondContact CA-CD2 3.43Å; G84-H175 VanDerWaalsContact CA-CG 3.46Å
85N97.5Very high97.5Very high12 Ų129.4 Ų9.46%0.0646%0.057CC..SBendtrans-104.6-4.1-179.768.6-100.7000114D40 I127 Y152 H175 H227D40-N85 PolarHBondContact OD1-N 3.09Å; N85-I127 HydrophobicContact CB-CD1 3.93Å; N85-I127 HydrophobicContact CB-CG1 4.31Å; N85-I127 HydrophobicContact CB-CG2 4.11Å; N85-Y152 HydrophobicContact CB-CD2 3.72Å; N85-Y152 HydrophobicContact CB-CE1 4.37Å; N85-Y152 HydrophobicContact CB-CE2 3.39Å; N85-Y152 HydrophobicContact CB-CG 4.4Å; N85-Y152 WeakPolarHBondContact O-CE1 3.26Å; N85-H175 PolarHBondContact OD1-NE2 3.41Å; N85-H227 PolarHBondContact OD1-CE1 3.18Å; N85-H227 PolarHBondContact OD1-ND1 2.8Å
86H97.1Very high97.5Very high36 Ų369.4 Ų9.417%0.1676%0.057CC..SBendtrans-112.531.9175.5-62.4-59.6000112.3H11 D40 Q42 M53 S54 V55H11-H86 AromaticContact CE1-CD2 2.87Å; H11-H86 PolarHBondContact CE1-CD2 2.73Å; H11-H86 AromaticContact CE1-CG 3.62Å; H11-H86 AromaticContact CE1-NE2 3.77Å; D40-H86 IonicContact OD1-CD2 3.6Å; D40-H86 IonicContact OD1-CG 3.36Å; D40-H86 PolarHBondContact OD1-N 2.6Å; D40-H86 IonicContact OD2-CD2 2.83Å; Q42-H86 WeakPolarHBondContact CG-O 3.2Å; Q42-H86 PolarHBondContact NE2-O 2.83Å; M53-H86 WeakPolarHBondContact CE-O 2.91Å; S54-H86 PolarHBondContact O-ND1 3.39Å; V55-H86 HydrophobicContact CG2-CB 3.86Å
87E97.5Very high97.5Very high2 Ų26 Ų61%0.0093%0.033CC..SBendtrans-84159.4-174.1-63-65.5177.700114.8D40 F41 Q42 M53 G83 G84 S89 L92D40-E87 WeakPolarHBondContact CA-OE1 3.19Å; D40-E87 PolarHBondContact N-OE1 2.73Å; F41-E87 PolarHBondContact N-OE1 3.36Å; F41-E87 PolarHBondContact N-OE2 3.4Å; Q42-E87 WeakPolarHBondContact CA-OE2 3.34Å; Q42-E87 PolarHBondContact N-OE2 3.04Å; M53-E87 WeakPolarHBondContact CA-O 3.36Å; M53-E87 WeakPolarHBondContact CG-O 3.33Å; G83-E87 WeakPolarHBondContact CA-OE1 3.37Å; G84-E87 VanDerWaalsContact N-CG 3.32Å; G84-E87 PolarHBondContact N-OE1 3.41Å; G84-E87 WeakPolarHBondContact O-CG 3.44Å; E87-S89 PolarHBondContact O-N 2.76Å; E87-S89 PolarHBondContact O-OG 3.46Å; E87-L92 HydrophobicContact CB-CD1 3.67Å; E87-L92 HydrophobicContact CG-CD1 3.68Å
88A96.5Very high97.5Very high0 Ų05.9 Ų5.90%03%0.033CC..  trans-6868.6161.200000110.3A43 V44 D49 G90 Y91 L92A43-A88 WeakPolarHBondContact O-CB 3.4Å; V44-A88 HydrophobicContact CG2-CB 4.27Å; D49-A88 HydrophobicContact CB-CB 4.07Å; A88-G90 PolarHBondContact O-N 3.46Å; A88-G90 VanDerWaalsContact O-N 3.11Å; A88-Y91 PolarHBondContact O-N 3.43Å; A88-L92 PolarHBondContact O-N 2.78Å; A88-L92 VanDerWaalsContact O-N 3.16Å
89S95.4Very high97.5Very high5 Ų55.3 Ų5.34%0.0353%0.031CC..Hα-helixtrans-59.6-28.4-168.1-59.40000113.3T52 E87 Q93T52-S89 PolarHBondContact OG1-N 2.67Å; E87-S89 PolarHBondContact O-N 2.76Å; E87-S89 PolarHBondContact O-OG 3.46Å; S89-Q93 VanDerWaalsContact O-CB 3.23Å; S89-Q93 WeakPolarHBondContact O-CB 3.48Å; S89-Q93 PolarHBondContact O-N 3.5Å
90G94.6Very high97.5Very high10 Ų106 Ų610%0.1033%0.033CC..Hα-helixtrans-59.3-45.8171.500000112.8T52 A88T52-G90 PolarHBondContact OG1-N 3.4Å; T52-G90 VanDerWaalsContact OG1-N 3.17Å; A88-G90 PolarHBondContact O-N 3.46Å; A88-G90 VanDerWaalsContact O-N 3.11Å
91Y96.4Very high97.5Very high0 Ų06 Ų60%03%0.033CC..Hα-helixtrans-73.5-44.1179.8-172.5-154.2000112.2A43 R45 F65 Y69 A88 Q93 E94 V101A43-Y91 HydrophobicContact CB-CD1 4.14Å; A43-Y91 WeakPolarHBondContact O-CD1 3.45Å; R45-Y91 HydrophobicContact CG-CD1 3.69Å; R45-Y91 HydrophobicContact CG-CE1 3.77Å; R45-Y91 HydrophobicContact CG-CG 4.24Å; R45-Y91 VanDerWaalsContact CZ-CD2 3.43Å; F65-Y91 HydrophobicContact CE1-CD1 4.4Å; F65-Y91 AromaticContact CE1-CE1 3.97Å; F65-Y91 HydrophobicContact CE1-CE1 3.97Å; F65-Y91 HydrophobicContact CZ-CE1 4.19Å; Y69-Y91 HydrophobicContact CD2-CE1 4.19Å; Y69-Y91 HydrophobicContact CE2-CE1 4.44Å; Y69-Y91 AromaticContact CE2-CZ 4Å; A88-Y91 PolarHBondContact O-N 3.43Å; Y91-Q93 VanDerWaalsContact C-N 3.27Å; Y91-Q93 PolarHBondContact O-N 3.4Å; Y91-E94 HydrophobicContact CD2-CG 4.46Å; Y91-E94 VanDerWaalsContact O-CB 3.24Å; Y91-E94 WeakPolarHBondContact O-CB 3.38Å; Y91-E94 PolarHBondContact O-N 2.85Å; Y91-V101 HydrophobicContact CE1-CB 3.74Å; Y91-V101 HydrophobicContact CE1-CG1 4.03Å; Y91-V101 WeakPolarHBondContact OH-CA 3.4Å; Y91-V101 PolarHBondContact OH-O 2.69Å
92L97.5Very high97.5Very high7 Ų76 Ų64%0.0373%0.033CC..Hα-helixtrans-65.6-31-179.3-59.6-168.6000112.5A43 F81 E87 A88 E94 L95 V101 Y107A43-L92 HydrophobicContact CB-CD2 4.19Å; F81-L92 HydrophobicContact CE2-CD1 4.21Å; F81-L92 HydrophobicContact CE2-CD2 4Å; F81-L92 HydrophobicContact CZ-CD2 3.82Å; E87-L92 HydrophobicContact CB-CD1 3.67Å; E87-L92 HydrophobicContact CG-CD1 3.68Å; A88-L92 PolarHBondContact O-N 2.78Å; A88-L92 VanDerWaalsContact O-N 3.16Å; L92-E94 PolarHBondContact O-N 3.17Å; L92-L95 CarbonylContact O-C 3.45Å; L92-L95 PolarHBondContact O-N 3.4Å; L92-L95 VanDerWaalsContact O-N 3.11Å; L92-V101 HydrophobicContact CD2-CG1 4.29Å; L92-Y107 HydrophobicContact CB-CD1 4.42Å; L92-Y107 HydrophobicContact CB-CE1 3.85Å; L92-Y107 HydrophobicContact CD1-CD2 4.49Å; L92-Y107 HydrophobicContact CD1-CE2 4.06Å; L92-Y107 HydrophobicContact CD2-CD1 4.1Å; L92-Y107 HydrophobicContact CD2-CD2 4.23Å; L92-Y107 HydrophobicContact CD2-CE1 4.32Å; L92-Y107 HydrophobicContact CD2-CE2 4.47Å; L92-Y107 HydrophobicContact CD2-CG 4.06Å; L92-Y107 HydrophobicContact CG-CE1 4.49Å; L92-Y107 WeakPolarHBondContact O-CE1 3.28Å
93Q96.4Very high97.4Very high4 Ų46.3 Ų6.32%0.0194%0.035CC..Hα-helixtrans-62.5-25.9172.9172.4162.387.800113.1S89 Y91 L95 P96 E139 Y143 N453S89-Q93 VanDerWaalsContact O-CB 3.23Å; S89-Q93 WeakPolarHBondContact O-CB 3.48Å; S89-Q93 PolarHBondContact O-N 3.5Å; Y91-Q93 VanDerWaalsContact C-N 3.27Å; Y91-Q93 PolarHBondContact O-N 3.4Å; Q93-L95 PolarHBondContact O-N 2.85Å; Q93-P96 WeakPolarHBondContact O-CD 3.46Å; Q93-E139 PolarHBondContact NE2-O 3.43Å; Q93-E139 PolarHBondContact OE1-O 3.35Å; Q93-Y143 PolarHBondContact OE1-OH 2.89Å; Q93-N453 PolarHBondContact O-ND2 2.99Å; Q93-N453 PolarHBondContact O-OD1 2.77Å
94E96.9Very high97.4Very high14 Ų147.9 Ų7.97%0.0654%0.043CC..THydrogen-bonded Turntrans-63.8-20.7175.5-59.9177.1-150.400112.5R45 Y91 L92 P96 T398 N437 T440R45-E94 IonicContact CZ-OE1 3.01Å; R45-E94 IonicContact NH1-OE1 2.84Å; R45-E94 PolarHBondContact NH1-OE1 3.32Å; R45-E94 IonicContact NH1-OE2 3.57Å; R45-E94 IonicContact NH2-OE1 3.45Å; R45-E94 PolarHBondContact NH2-OE1 2.85Å; R45-E94 VanDerWaalsContact NH2-OE1 3.16Å; Y91-E94 HydrophobicContact CD2-CG 4.46Å; Y91-E94 VanDerWaalsContact O-CB 3.24Å; Y91-E94 WeakPolarHBondContact O-CB 3.38Å; Y91-E94 PolarHBondContact O-N 2.85Å; L92-E94 PolarHBondContact O-N 3.17Å; E94-P96 VanDerWaalsContact C-CD 3.47Å; E94-P96 WeakPolarHBondContact O-CD 3.28Å; E94-T398 VanDerWaalsContact OE2-CB 3.26Å; E94-T398 WeakPolarHBondContact OE2-CB 3.48Å; E94-T398 PolarHBondContact OE2-OG1 3.47Å; E94-N437 HydrophobicContact CB-CB 4.11Å; E94-N437 WeakPolarHBondContact O-CB 3.44Å; E94-T440 PolarHBondContact O-OG1 2.92Å
95L97.8Very high97.4Very high0 Ų07.9 Ų7.90%04%0.043CC..  trans-125.356.6-171.2-65.3175.3000112.9L92 Q93 Y97 G98 V101 Y107 G109 N437 Q439L92-L95 CarbonylContact O-C 3.45Å; L92-L95 PolarHBondContact O-N 3.4Å; L92-L95 VanDerWaalsContact O-N 3.11Å; Q93-L95 PolarHBondContact O-N 2.85Å; L95-Y97 PolarHBondContact O-N 2.9Å; L95-G98 PolarHBondContact O-N 2.75Å; L95-V101 HydrophobicContact CD1-CG1 3.73Å; L95-Y107 HydrophobicContact CB-CD1 3.92Å; L95-Y107 HydrophobicContact CB-CE1 4.48Å; L95-Y107 WeakPolarHBondContact O-CD1 3.38Å; L95-Y107 WeakPolarHBondContact O-CE1 3.25Å; L95-G109 WeakPolarHBondContact O-CA 3.31Å; L95-N437 HydrophobicContact CD2-CB 3.94Å; L95-Q439 HydrophobicContact CD2-CB 4.12Å
96P97.4Very high97.5Very high3 Ų38 Ų82%0.0194%0.042CC..THydrogen-bonded Turntrans-64.6-26.6-172.429-36.2000113.6Q93 E94 G109 Y110 T440 P452Q93-P96 WeakPolarHBondContact O-CD 3.46Å; E94-P96 VanDerWaalsContact C-CD 3.47Å; E94-P96 WeakPolarHBondContact O-CD 3.28Å; P96-G109 WeakPolarHBondContact O-CA 3.3Å; P96-Y110 HydrophobicContact CB-CD2 3.94Å; P96-Y110 HydrophobicContact CB-CE1 4.44Å; P96-Y110 HydrophobicContact CB-CE2 3.62Å; P96-Y110 HydrophobicContact CB-CG 4.47Å; P96-Y110 PolarHBondContact O-N 3.05Å; P96-T440 HydrophobicContact CG-CG2 4.09Å; P96-P452 HydrophobicContact CB-CG 4.2Å; P96-P452 HydrophobicContact CG-CG 3.78Å
97Y98.2Very high97.6Very high10 Ų106.6 Ų6.64%0.0394%0.036CC..THydrogen-bonded Turntrans-95.85177.6-59.9-66.2000113.7L95 L344 T440 I443 C444 L449 I450L95-Y97 PolarHBondContact O-N 2.9Å; Y97-L344 HydrophobicContact CD1-CD1 3.92Å; Y97-L344 HydrophobicContact CD1-CD2 4.06Å; Y97-L344 HydrophobicContact CE1-CD1 4.47Å; Y97-L344 HydrophobicContact CE1-CD2 3.98Å; Y97-T440 HydrophobicContact CD2-CG2 4.42Å; Y97-I443 HydrophobicContact CD2-CG2 4.46Å; Y97-C444 VanDerWaalsContact CE2-SG 3.56Å; Y97-L449 HydrophobicContact CD1-CD1 4.29Å; Y97-L449 HydrophobicContact CD2-CD1 4.48Å; Y97-L449 HydrophobicContact CE1-CD1 4.09Å; Y97-L449 HydrophobicContact CE2-CB 4.48Å; Y97-L449 HydrophobicContact CE2-CD1 4.31Å; Y97-L449 HydrophobicContact CG-CD1 4.48Å; Y97-I450 PolarHBondContact OH-O 3.39Å
98G98.5Very high97.6Very high4 Ų46.5 Ų6.54%0.0414%0.035CC..  trans91.4165.3-171.500000113.3L95 Y107L95-G98 PolarHBondContact O-N 2.75Å; G98-Y107 CarbonylContact C-O 3.54Å; G98-Y107 WeakPolarHBondContact CA-O 3.26Å
99G98.4Very high97.7Very high1 Ų16.5 Ų6.51%0.014%0.035CC..EExtended strand (participates in β ladder)trans167.8167.1-176.100000113.2V101 Y107G99-V101 PolarHBondContact O-N 2.88Å; G99-Y107 PolarHBondContact N-O 2.68Å; G99-Y107 PolarHBondContact O-N 3.37Å
100W98.7Very high97.9Very high15 Ų157.1 Ų7.16%0.0574%0.037CC..EExtended strand (participates in β ladder)trans-70.1121.8169-58.3109.9000110.1L78 I105 W106 L334 V391 P392 F395 Q439L78-W100 HydrophobicContact CD1-CH2 3.68Å; L78-W100 HydrophobicContact CD1-CZ3 3.6Å; W100-I105 WeakPolarHBondContact CA-O 3.33Å; W100-W106 AromaticContact CD2-CE3 3.7Å; W100-W106 HydrophobicContact CD2-CE3 3.7Å; W100-W106 HydrophobicContact CD2-CZ3 4.27Å; W100-W106 AromaticContact CE2-CE3 3.74Å; W100-W106 HydrophobicContact CE3-CB 4.04Å; W100-W106 HydrophobicContact CE3-CE3 4.04Å; W100-W106 HydrophobicContact CG-CE3 4.02Å; W100-W106 HydrophobicContact CG-CZ3 4.27Å; W100-W106 HydrophobicContact CH2-CE3 4.41Å; W100-W106 HydrophobicContact CZ2-CE3 4.12Å; W100-W106 HydrophobicContact CZ3-CB 3.85Å; W100-W106 HydrophobicContact CZ3-CE3 4.38Å; W100-W106 AromaticContact NE1-CZ3 3.94Å; W100-L334 HydrophobicContact CH2-CB 4.48Å; W100-L334 HydrophobicContact CH2-CD2 4Å; W100-L334 HydrophobicContact CZ2-CD2 4.37Å; W100-V391 HydrophobicContact CZ2-CB 4.27Å; W100-V391 HydrophobicContact CZ2-CG1 3.58Å; W100-P392 PolarHBondContact NE1-O 3.46Å; W100-F395 HydrophobicContact CB-CB 3.9Å; W100-F395 HydrophobicContact CB-CD2 4.2Å; W100-F395 HydrophobicContact CB-CG 4.49Å; W100-Q439 PolarHBondContact O-NE2 3.27Å
101V98.5Very high98.1Very high0 Ų06.8 Ų6.80%03%0.033CC..EExtended strand (participates in β ladder)trans-92-20.4169.4-64.90000111.9F65 F81 Y91 L92 L95 G99 I105 F395F65-V101 HydrophobicContact CE2-CB 4.4Å; F65-V101 HydrophobicContact CE2-CG2 3.79Å; F65-V101 HydrophobicContact CZ-CB 3.79Å; F65-V101 HydrophobicContact CZ-CG2 3.69Å; F65-V101 WeakPolarHBondContact CZ-O 3.32Å; F81-V101 HydrophobicContact CE1-CG1 4.3Å; F81-V101 HydrophobicContact CE1-CG2 3.61Å; F81-V101 HydrophobicContact CZ-CG1 4.14Å; F81-V101 HydrophobicContact CZ-CG2 4.05Å; Y91-V101 HydrophobicContact CE1-CB 3.74Å; Y91-V101 HydrophobicContact CE1-CG1 4.03Å; Y91-V101 WeakPolarHBondContact OH-CA 3.4Å; Y91-V101 PolarHBondContact OH-O 2.69Å; L92-V101 HydrophobicContact CD2-CG1 4.29Å; L95-V101 HydrophobicContact CD1-CG1 3.73Å; G99-V101 PolarHBondContact O-N 2.88Å; V101-I105 HydrophobicContact CG2-CB 4.05Å; V101-I105 HydrophobicContact CG2-CG2 3.63Å; V101-I105 WeakPolarHBondContact CG2-O 3.39Å; V101-I105 PolarHBondContact N-O 2.88Å; V101-F395 VanDerWaalsContact C-CE2 3.46Å; V101-F395 WeakPolarHBondContact O-CE2 3.43Å
102A98.4Very high98.2Very high0 Ų07 Ų70%04%0.035CC..EExtended strand (participates in β ladder)trans-160.6164.7169.900000107.5F65 N104 I105F65-A102 HydrophobicContact CE2-CB 3.93Å; F65-A102 HydrophobicContact CZ-CB 4.03Å; A102-N104 PolarHBondContact O-N 3.32Å; A102-I105 HydrophobicContact CB-CB 4.34Å; A102-I105 HydrophobicContact CB-CD1 4.16Å; A102-I105 HydrophobicContact CB-CG1 4.38Å; A102-I105 PolarHBondContact O-N 2.88Å; A102-I105 VanDerWaalsContact O-O 3.13Å
103P98Very high98.2Very high7 Ų76.7 Ų6.75%0.0453%0.033CC..THydrogen-bonded Turntrans-59.9127.1-179.7-2233.3000111.4E71 R74 I105 F395E71-P103 HydrophobicContact CG-CG 4.14Å; R74-P103 HydrophobicContact CG-CB 4.37Å; P103-I105 VanDerWaalsContact C-N 3.28Å; P103-I105 PolarHBondContact O-N 2.88Å; P103-F395 HydrophobicContact CG-CD1 3.7Å; P103-F395 HydrophobicContact CG-CE1 4.21Å; P103-F395 HydrophobicContact CG-CG 4.31Å
104N97.6Very high98.3Very high36 Ų366.6 Ų6.619%0.1933%0.033CC..THydrogen-bonded Turntrans68.515.3-175.7-15436.8000115.5A75 V77 L78 T79 A102A75-N104 HydrophobicContact CB-CB 4.18Å; A75-N104 PolarHBondContact O-ND2 3.03Å; V77-N104 VanDerWaalsContact C-ND2 3.27Å; V77-N104 PolarHBondContact O-ND2 3.05Å; L78-N104 VanDerWaalsContact CA-OD1 3.3Å; L78-N104 WeakPolarHBondContact CA-OD1 3.42Å; L78-N104 WeakPolarHBondContact CB-OD1 3.37Å; L78-N104 WeakPolarHBondContact CD1-OD1 3.32Å; L78-N104 PolarHBondContact N-ND2 3.15Å; T79-N104 PolarHBondContact N-O 2.78Å; A102-N104 PolarHBondContact O-N 3.32Å
105I98.7Very high98.3Very high0 Ų06 Ų60%03%0.03CC..EExtended strand (participates in β ladder)trans-125.8112172.7-49.8-177.1000110.3L14 F41 F65 Y68 A75 T79 F81 W100 V101 A102 P103L14-I105 HydrophobicContact CD2-CD1 3.84Å; F41-I105 HydrophobicContact CE1-CG2 4.18Å; F41-I105 HydrophobicContact CE2-CG2 4.33Å; F41-I105 HydrophobicContact CZ-CD1 4.39Å; F41-I105 HydrophobicContact CZ-CG2 3.64Å; F65-I105 HydrophobicContact CD2-CD1 4.45Å; F65-I105 HydrophobicContact CE2-CD1 4.16Å; Y68-I105 HydrophobicContact CD1-CD1 4.09Å; Y68-I105 HydrophobicContact CG-CD1 4.22Å; A75-I105 HydrophobicContact CB-CD1 4Å; A75-I105 HydrophobicContact CB-CG1 3.58Å; T79-I105 HydrophobicContact CG2-CG2 4.44Å; T79-I105 CarbonylContact O-C 3.59Å; T79-I105 WeakPolarHBondContact O-CA 3.34Å; F81-I105 HydrophobicContact CD1-CG2 4.18Å; F81-I105 HydrophobicContact CE1-CG2 4.12Å; W100-I105 WeakPolarHBondContact CA-O 3.33Å; V101-I105 HydrophobicContact CG2-CB 4.05Å; V101-I105 HydrophobicContact CG2-CG2 3.63Å; V101-I105 WeakPolarHBondContact CG2-O 3.39Å; V101-I105 PolarHBondContact N-O 2.88Å; A102-I105 HydrophobicContact CB-CB 4.34Å; A102-I105 HydrophobicContact CB-CD1 4.16Å; A102-I105 HydrophobicContact CB-CG1 4.38Å; A102-I105 PolarHBondContact O-N 2.88Å; A102-I105 VanDerWaalsContact O-O 3.13Å; P103-I105 VanDerWaalsContact C-N 3.28Å; P103-I105 PolarHBondContact O-N 2.88Å
106W98.7Very high98.2Very high13 Ų136 Ų65%0.0493%0.03CC..EExtended strand (participates in β ladder)trans-108.3124.9-175.3-179.3-93000111.9T79 L80 F81 W100 L334 L336 V391T79-W106 PolarHBondContact O-N 2.94Å; L80-W106 WeakPolarHBondContact CA-O 3.29Å; L80-W106 HydrophobicContact CD2-CB 3.72Å; L80-W106 HydrophobicContact CD2-CG 4.16Å; F81-W106 VanDerWaalsContact CD1-O 3.27Å; F81-W106 WeakPolarHBondContact CD1-O 3.39Å; F81-W106 PolarHBondContact N-O 3.09Å; W100-W106 AromaticContact CD2-CE3 3.7Å; W100-W106 HydrophobicContact CD2-CE3 3.7Å; W100-W106 HydrophobicContact CD2-CZ3 4.27Å; W100-W106 AromaticContact CE2-CE3 3.74Å; W100-W106 HydrophobicContact CE3-CB 4.04Å; W100-W106 HydrophobicContact CE3-CE3 4.04Å; W100-W106 HydrophobicContact CG-CE3 4.02Å; W100-W106 HydrophobicContact CG-CZ3 4.27Å; W100-W106 HydrophobicContact CH2-CE3 4.41Å; W100-W106 HydrophobicContact CZ2-CE3 4.12Å; W100-W106 HydrophobicContact CZ3-CB 3.85Å; W100-W106 HydrophobicContact CZ3-CE3 4.38Å; W100-W106 AromaticContact NE1-CZ3 3.94Å; W106-L334 HydrophobicContact CB-CD2 3.99Å; W106-L334 HydrophobicContact CD2-CD2 3.69Å; W106-L334 HydrophobicContact CE3-CD2 4.08Å; W106-L334 HydrophobicContact CG-CD2 3.65Å; W106-L336 HydrophobicContact CH2-CD2 4.45Å; W106-L336 HydrophobicContact CZ2-CD2 4.22Å; W106-V391 HydrophobicContact CE3-CG1 3.89Å; W106-V391 HydrophobicContact CH2-CG1 3.78Å; W106-V391 HydrophobicContact CH2-CG2 4.28Å; W106-V391 HydrophobicContact CZ3-CB 4.5Å; W106-V391 HydrophobicContact CZ3-CG1 3.27Å; W106-V391 HydrophobicContact CZ3-CG2 4.44Å
107Y98.9Very high98Very high7 Ų76.1 Ų6.13%0.0273%0.031CC..EExtended strand (participates in β ladder)trans-83.2132.4167.5175.8-133.9000110.2F81 L92 L95 G98 G99 G109 S125F81-Y107 HydrophobicContact CD2-CD2 4.05Å; F81-Y107 HydrophobicContact CE1-CD2 4.28Å; F81-Y107 HydrophobicContact CE1-CG 4.38Å; F81-Y107 AromaticContact CE2-CD2 3.53Å; F81-Y107 HydrophobicContact CE2-CD2 3.53Å; F81-Y107 HydrophobicContact CE2-CE2 4.26Å; F81-Y107 HydrophobicContact CE2-CG 4.22Å; F81-Y107 AromaticContact CZ-CD2 3.68Å; F81-Y107 HydrophobicContact CZ-CD2 3.68Å; F81-Y107 AromaticContact CZ-CG 3.89Å; F81-Y107 HydrophobicContact CZ-CG 3.89Å; L92-Y107 HydrophobicContact CB-CD1 4.42Å; L92-Y107 HydrophobicContact CB-CE1 3.85Å; L92-Y107 HydrophobicContact CD1-CD2 4.49Å; L92-Y107 HydrophobicContact CD1-CE2 4.06Å; L92-Y107 HydrophobicContact CD2-CD1 4.1Å; L92-Y107 HydrophobicContact CD2-CD2 4.23Å; L92-Y107 HydrophobicContact CD2-CE1 4.32Å; L92-Y107 HydrophobicContact CD2-CE2 4.47Å; L92-Y107 HydrophobicContact CD2-CG 4.06Å; L92-Y107 HydrophobicContact CG-CE1 4.49Å; L92-Y107 WeakPolarHBondContact O-CE1 3.28Å; L95-Y107 HydrophobicContact CB-CD1 3.92Å; L95-Y107 HydrophobicContact CB-CE1 4.48Å; L95-Y107 WeakPolarHBondContact O-CD1 3.38Å; L95-Y107 WeakPolarHBondContact O-CE1 3.25Å; G98-Y107 CarbonylContact C-O 3.54Å; G98-Y107 WeakPolarHBondContact CA-O 3.26Å; G99-Y107 PolarHBondContact N-O 2.68Å; G99-Y107 PolarHBondContact O-N 3.37Å; Y107-G109 VanDerWaalsContact CZ-C 3.46Å; Y107-G109 VanDerWaalsContact CZ-O 3.31Å; Y107-G109 PolarHBondContact O-N 3.05Å; Y107-G109 VanDerWaalsContact OH-C 3.31Å; Y107-G109 PolarHBondContact OH-O 3.43Å; Y107-G109 VanDerWaalsContact OH-O 3.13Å; Y107-S125 WeakPolarHBondContact CE2-OG 3.38Å
108M98.8Very high97.6Very high0 Ų05.7 Ų5.70%03%0.029CC..  trans-76.24.5179.8-68.4-66.4-70.600114.6L80 F81 V82 A111 S112 V114 G123L80-M108 HydrophobicContact CB-SD 4.4Å; L80-M108 HydrophobicContact CD1-SD 4.46Å; F81-M108 WeakPolarHBondContact O-CB 3.29Å; F81-M108 VanDerWaalsContact O-CG 3.31Å; F81-M108 WeakPolarHBondContact O-CG 3.39Å; F81-M108 PolarHBondContact O-N 3.43Å; V82-M108 HydrophobicContact CG1-CB 4.01Å; V82-M108 HydrophobicContact CG1-CG 4.21Å; M108-A111 CarbonylContact O-C 3.58Å; M108-A111 VanDerWaalsContact O-C 3.29Å; M108-S112 WeakPolarHBondContact CA-OG 3.44Å; M108-S112 VanDerWaalsContact CE-OG 3.3Å; M108-S112 WeakPolarHBondContact CE-OG 3.43Å; M108-S112 VanDerWaalsContact O-CB 3.24Å; M108-S112 WeakPolarHBondContact O-CB 3.3Å; M108-S112 PolarHBondContact O-N 3.04Å; M108-S112 PolarHBondContact O-OG 3.24Å; M108-V114 HydrophobicContact CE-CG1 4.46Å; M108-V114 HydrophobicContact CE-CG2 3.93Å; M108-V114 HydrophobicContact SD-CG1 4.3Å; M108-V114 HydrophobicContact SD-CG2 3.85Å; M108-G123 VanDerWaalsContact CE-N 3.3Å
109G98.6Very high97.4Very high0 Ų05.5 Ų5.50%03%0.027CC..  trans70.3-168.3-176.200000112.8L95 P96 Y107 A111 S125L95-G109 WeakPolarHBondContact O-CA 3.31Å; P96-G109 WeakPolarHBondContact O-CA 3.3Å; Y107-G109 VanDerWaalsContact CZ-C 3.46Å; Y107-G109 VanDerWaalsContact CZ-O 3.31Å; Y107-G109 PolarHBondContact O-N 3.05Å; Y107-G109 VanDerWaalsContact OH-C 3.31Å; Y107-G109 PolarHBondContact OH-O 3.43Å; Y107-G109 VanDerWaalsContact OH-O 3.13Å; G109-A111 VanDerWaalsContact C-N 3.3Å; G109-S125 VanDerWaalsContact O-CB 3.28Å; G109-S125 WeakPolarHBondContact O-CB 3.33Å; G109-S125 PolarHBondContact O-OG 2.97Å
110Y98.5Very high97.3Very high19 Ų195.8 Ų5.88%0.0753%0.028CC..SBendtrans-62.7-42.8172.5-57.9-24.9000110.5P96 S125 H137P96-Y110 HydrophobicContact CB-CD2 3.94Å; P96-Y110 HydrophobicContact CB-CE1 4.44Å; P96-Y110 HydrophobicContact CB-CE2 3.62Å; P96-Y110 HydrophobicContact CB-CG 4.47Å; P96-Y110 PolarHBondContact O-N 3.05Å; Y110-S125 PolarHBondContact O-N 3.45Å; Y110-H137 AromaticContact CD2-CD2 3.69Å; Y110-H137 AromaticContact CD2-CE1 3.75Å; Y110-H137 AromaticContact CD2-NE2 3.38Å; Y110-H137 WeakPolarHBondContact CD2-NE2 3.31Å; Y110-H137 HydrophobicContact CE2-CB 4.34Å; Y110-H137 AromaticContact CE2-CD2 3.59Å; Y110-H137 AromaticContact CE2-CE1 3.69Å; Y110-H137 AromaticContact CE2-CG 3.66Å; Y110-H137 AromaticContact CE2-ND1 3.74Å; Y110-H137 AromaticContact CE2-NE2 3.62Å; Y110-H137 AromaticContact CG-NE2 3.92Å; Y110-H137 AromaticContact CZ-CE1 3.95Å; Y110-H137 AromaticContact CZ-ND1 3.86Å
111A98.8Very high97.3Very high3 Ų35 Ų53%0.0253%0.025CC..EExtended strand (participates in β ladder)trans-150.1152.5157.800000110.2M108 G109 G123 L124 E158 L162 W340M108-A111 CarbonylContact O-C 3.58Å; M108-A111 VanDerWaalsContact O-C 3.29Å; G109-A111 VanDerWaalsContact C-N 3.3Å; A111-G123 WeakPolarHBondContact CA-O 3.46Å; A111-G123 WeakPolarHBondContact CB-O 3.4Å; A111-L124 HydrophobicContact CB-CD1 4.08Å; A111-E158 HydrophobicContact CB-CB 3.9Å; A111-E158 HydrophobicContact CB-CG 4.02Å; A111-L162 HydrophobicContact CB-CD1 3.98Å; A111-L162 HydrophobicContact CB-CG 4.17Å; A111-W340 HydrophobicContact CB-CH2 4.04Å; A111-W340 HydrophobicContact CB-CZ2 4.41Å; A111-W340 WeakPolarHBondContact O-CZ2 3.17Å
112S98.5Very high97.3Very high4 Ų45 Ų53%0.0283%0.025CC..EExtended strand (participates in β ladder)trans-156.5166.8167.260.90000112.6M108 A122 G123M108-S112 WeakPolarHBondContact CA-OG 3.44Å; M108-S112 VanDerWaalsContact CE-OG 3.3Å; M108-S112 WeakPolarHBondContact CE-OG 3.43Å; M108-S112 VanDerWaalsContact O-CB 3.24Å; M108-S112 WeakPolarHBondContact O-CB 3.3Å; M108-S112 PolarHBondContact O-N 3.04Å; M108-S112 PolarHBondContact O-OG 3.24Å; S112-A122 CarbonylContact O-C 3.56Å; S112-A122 VanDerWaalsContact O-CA 3.31Å; S112-A122 WeakPolarHBondContact O-CA 3.31Å; S112-G123 PolarHBondContact N-O 3.15Å; S112-G123 VanDerWaalsContact N-O 3.15Å; S112-G123 PolarHBondContact O-N 2.7Å
113V98.6Very high97.3Very high1 Ų15 Ų51%0.0063%0.025CC..EExtended strand (participates in β ladder)trans-122.7130.4162.6-168.40000108.8I121 A122 L162 I165 L169 D337 W340V113-I121 WeakPolarHBondContact CA-O 3.43Å; V113-A122 HydrophobicContact CG2-CB 3.96Å; V113-L162 HydrophobicContact CG2-CD2 4.14Å; V113-I165 HydrophobicContact CG2-CD1 4.18Å; V113-L169 HydrophobicContact CG1-CD2 3.66Å; V113-L169 HydrophobicContact CG2-CD2 4.41Å; V113-D337 HydrophobicContact CB-CB 3.91Å; V113-D337 HydrophobicContact CG1-CB 3.82Å; V113-D337 VanDerWaalsContact O-CB 3.31Å; V113-D337 WeakPolarHBondContact O-CB 3.37Å; V113-D337 PolarHBondContact O-N 3.38Å; V113-W340 HydrophobicContact CB-CB 3.7Å; V113-W340 HydrophobicContact CB-CD2 4.48Å; V113-W340 HydrophobicContact CB-CG 3.95Å; V113-W340 HydrophobicContact CG2-CB 3.89Å; V113-W340 HydrophobicContact CG2-CD2 4.03Å; V113-W340 HydrophobicContact CG2-CE3 3.97Å; V113-W340 HydrophobicContact CG2-CG 3.98Å
114V98.1Very high97.4Very high1 Ų14.9 Ų4.91%0.0062%0.024CC..EExtended strand (participates in β ladder)trans-126.6165.3176.5-60.50000109.9L80 M108 I121 L334 Y335L80-V114 HydrophobicContact CD1-CG2 3.88Å; M108-V114 HydrophobicContact CE-CG1 4.46Å; M108-V114 HydrophobicContact CE-CG2 3.93Å; M108-V114 HydrophobicContact SD-CG1 4.3Å; M108-V114 HydrophobicContact SD-CG2 3.85Å; V114-I121 HydrophobicContact CG2-CB 4.21Å; V114-I121 PolarHBondContact N-O 3.28Å; V114-I121 PolarHBondContact O-N 3.19Å; V114-L334 HydrophobicContact CB-CD1 3.92Å; V114-L334 HydrophobicContact CG2-CD1 3.81Å; V114-Y335 CarbonylContact C-O 3.54Å; V114-Y335 WeakPolarHBondContact CA-O 3.06Å; V114-Y335 WeakPolarHBondContact CB-O 3.08Å
115Q96.4Very high97.4Very high1 Ų13.7 Ų3.71%0.0052%0.019CC..EExtended strand (participates in β ladder)trans-122.8139.3174.6-48.2-174.21.100112L119 R120 V297 I298 V299 S300 Y335 D337Q115-L119 WeakPolarHBondContact CA-O 3.46Å; Q115-R120 HydrophobicContact CG-CG 4.26Å; Q115-V297 PolarHBondContact NE2-O 2.57Å; Q115-I298 VanDerWaalsContact OE1-C 3.25Å; Q115-V299 VanDerWaalsContact OE1-CG2 3.29Å; Q115-S300 PolarHBondContact OE1-OG 2.89Å; Q115-Y335 PolarHBondContact N-O 3.13Å; Q115-Y335 PolarHBondContact O-N 2.86Å; Q115-D337 HydrophobicContact CG-CB 4.18Å; Q115-D337 PolarHBondContact NE2-OD2 3.15Å
116F95.6Very high97.4Very high2 Ų23.9 Ų3.91%0.0092%0.02CC..EExtended strand (participates in β ladder)trans-143.8126.2177.4174.6-91.1000110V2 D33 L34 L78 G118 L119 I121 T332 L334V2-F116 HydrophobicContact CG1-CD1 4.09Å; V2-F116 HydrophobicContact CG1-CE1 3.72Å; D33-F116 HydrophobicContact CB-CE1 3.99Å; D33-F116 HydrophobicContact CB-CZ 4.12Å; D33-F116 VanDerWaalsContact O-CZ 3.29Å; D33-F116 WeakPolarHBondContact O-CZ 3.34Å; L34-F116 HydrophobicContact CB-CD1 4.13Å; L34-F116 HydrophobicContact CB-CE1 3.8Å; L34-F116 HydrophobicContact CB-CZ 4.25Å; L34-F116 HydrophobicContact CD1-CD1 4.07Å; L34-F116 HydrophobicContact CD1-CD2 4.05Å; L34-F116 HydrophobicContact CD1-CE1 4.19Å; L34-F116 HydrophobicContact CD1-CE2 4.13Å; L34-F116 HydrophobicContact CD1-CG 3.99Å; L34-F116 HydrophobicContact CD1-CZ 4.21Å; L34-F116 HydrophobicContact CD2-CB 4.36Å; L34-F116 HydrophobicContact CD2-CD1 3.76Å; L34-F116 HydrophobicContact CD2-CE1 4.3Å; L34-F116 HydrophobicContact CD2-CG 4.13Å; L34-F116 HydrophobicContact CG-CD1 4.23Å; L34-F116 HydrophobicContact CG-CE1 4.34Å; L78-F116 HydrophobicContact CD2-CD2 3.5Å; L78-F116 VanDerWaalsContact CD2-CD2 3.5Å; L78-F116 HydrophobicContact CD2-CE2 3.57Å; F116-G118 PolarHBondContact O-N 2.98Å; F116-L119 PolarHBondContact N-O 2.99Å; F116-L119 WeakPolarHBondContact O-CB 3.5Å; F116-L119 PolarHBondContact O-N 3.49Å; F116-I121 HydrophobicContact CB-CD1 4.36Å; F116-T332 WeakPolarHBondContact CE2-O 3.28Å; F116-T332 HydrophobicContact CZ-CG2 4.39Å; F116-L334 HydrophobicContact CB-CD1 4.4Å
117A93.3Very high97.4Very high5 Ų53.5 Ų3.54%0.0412%0.019CC..THydrogen-bonded Turntrans46.835.817700000114.9V2 I330V2-A117 HydrophobicContact CG2-CB 3.71Å; A117-I330 VanDerWaalsContact CA-CG2 3.48Å; A117-I330 HydrophobicContact CB-CG2 3.74Å
118G90.7Very high97.3Very high0 Ų04.9 Ų4.90%03%0.025CC..THydrogen-bonded Turntrans89.5-6.4-178.400000116.6F116 P271 S300F116-G118 PolarHBondContact O-N 2.98Å; G118-P271 WeakPolarHBondContact O-CB 3.38Å; G118-S300 WeakPolarHBondContact CA-OG 3.28Å; G118-S300 PolarHBondContact N-OG 3.41Å; G118-S300 VanDerWaalsContact N-OG 3.08Å
119L94.2Very high97.3Very high0 Ų07.5 Ų7.50%04%0.036CC..EExtended strand (participates in β ladder)trans-86.7140.3175.6-56.7178.6000111V2 V4 Q115 F116 I121 D170 I171 I269 P271V2-L119 HydrophobicContact CB-CD1 3.9Å; V2-L119 HydrophobicContact CG1-CD1 4.01Å; V2-L119 HydrophobicContact CG2-CD1 4.04Å; V2-L119 HydrophobicContact CG2-CG 4.15Å; V4-L119 HydrophobicContact CG2-CD1 4.31Å; Q115-L119 WeakPolarHBondContact CA-O 3.46Å; F116-L119 PolarHBondContact N-O 2.99Å; F116-L119 WeakPolarHBondContact O-CB 3.5Å; F116-L119 PolarHBondContact O-N 3.49Å; L119-I121 HydrophobicContact CB-CD1 4.34Å; L119-I121 HydrophobicContact CB-CG1 4.12Å; L119-D170 WeakPolarHBondContact CA-OD2 3.37Å; L119-D170 HydrophobicContact CB-CB 4.44Å; L119-D170 HydrophobicContact CD2-CB 4.19Å; L119-I171 HydrophobicContact CD1-CD1 4.2Å; L119-I269 HydrophobicContact CD1-CB 4.35Å; L119-I269 HydrophobicContact CD1-CG2 4.25Å; L119-I269 HydrophobicContact CD2-CB 4.39Å; L119-I269 HydrophobicContact CD2-CG2 3.59Å; L119-P271 HydrophobicContact CD2-CB 3.92Å
120R95.7Very high97.2Very high7 Ų712.1 Ų12.13%0.0266%0.058CC..EExtended strand (participates in β ladder)trans-99.4118.5167.5-60.8-174.470.2-133.510.7110.3Q115 R167 R168 L169 D170 I171 D337 E339Q115-R120 HydrophobicContact CG-CG 4.26Å; R120-R167 VanDerWaalsContact NH1-CB 3.34Å; R120-R167 PolarHBondContact NH1-O 3.02Å; R120-R168 PolarHBondContact NH1-O 2.89Å; R120-L169 HydrophobicContact CB-CD2 4.16Å; R120-D170 PolarHBondContact N-OD2 3.05Å; R120-D170 PolarHBondContact O-N 3.19Å; R120-I171 PolarHBondContact O-N 3.2Å; R120-I171 VanDerWaalsContact O-N 3.15Å; R120-D337 IonicContact CZ-OD1 3.76Å; R120-D337 IonicContact CZ-OD2 2.77Å; R120-D337 IonicContact NE-OD1 3.49Å; R120-D337 IonicContact NE-OD2 3.79Å; R120-D337 PolarHBondContact NE-OD2 3.26Å; R120-D337 IonicContact NH2-OD1 2.84Å; R120-D337 PolarHBondContact NH2-OD1 2.86Å; R120-D337 IonicContact NH2-OD2 3.65Å; R120-D337 PolarHBondContact NH2-OD2 2.93Å; R120-E339 IonicContact CZ-OE2 2.68Å; R120-E339 IonicContact NH1-OE2 3.63Å; R120-E339 PolarHBondContact NH1-OE2 3.1Å; R120-E339 IonicContact NH2-OE2 3.33Å; R120-E339 PolarHBondContact NH2-OE2 2.91Å
121I98.4Very high97.1Very high0 Ų017.7 Ų17.70%08%0.084CC..EExtended strand (participates in β ladder)trans-121.8113.5-169.3-51.8-179.2000108.5L34 L36 L80 V113 V114 F116 L119 I171 M173L34-I121 HydrophobicContact CD2-CD1 3.42Å; L34-I121 VanDerWaalsContact CD2-CD1 3.42Å; L36-I121 HydrophobicContact CD2-CD1 4.39Å; L36-I121 HydrophobicContact CD2-CG2 4.48Å; L80-I121 HydrophobicContact CD1-CD1 4.08Å; L80-I121 HydrophobicContact CD1-CG2 4.36Å; V113-I121 WeakPolarHBondContact CA-O 3.43Å; V114-I121 HydrophobicContact CG2-CB 4.21Å; V114-I121 PolarHBondContact N-O 3.28Å; V114-I121 PolarHBondContact O-N 3.19Å; F116-I121 HydrophobicContact CB-CD1 4.36Å; L119-I121 HydrophobicContact CB-CD1 4.34Å; L119-I121 HydrophobicContact CB-CG1 4.12Å; I121-I171 WeakPolarHBondContact CA-O 3.47Å; I121-I171 HydrophobicContact CD1-CD1 4.29Å; I121-I171 HydrophobicContact CG1-CB 4.34Å; I121-I171 HydrophobicContact CG1-CD1 4.23Å; I121-I171 HydrophobicContact CG2-CB 4.21Å; I121-I171 HydrophobicContact CG2-CG2 4.29Å; I121-M173 HydrophobicContact CG2-SD 4.19Å
122A98.8Very high97Very high0 Ų017.9 Ų17.90%09%0.085CC..EExtended strand (participates in β ladder)trans-95.6145.3172.500000111S112 V113 L162 L169 I171 L172 M173S112-A122 CarbonylContact O-C 3.56Å; S112-A122 VanDerWaalsContact O-CA 3.31Å; S112-A122 WeakPolarHBondContact O-CA 3.31Å; V113-A122 HydrophobicContact CG2-CB 3.96Å; A122-L162 HydrophobicContact CB-CD2 4.29Å; A122-L169 HydrophobicContact CB-CD1 3.61Å; A122-L169 HydrophobicContact CB-CD2 4.06Å; A122-L169 HydrophobicContact CB-CG 4.42Å; A122-I171 PolarHBondContact N-O 3.44Å; A122-L172 HydrophobicContact CB-CB 4.4Å; A122-L172 HydrophobicContact CB-CD1 4.16Å; A122-L172 HydrophobicContact CB-CG 3.9Å; A122-L172 CarbonylContact O-C 3.59Å; A122-L172 WeakPolarHBondContact O-CA 3.37Å; A122-M173 PolarHBondContact O-N 3.03Å
123G98.9Very high97Very high0 Ų019.2 Ų19.20%09%0.09CC..EExtended strand (participates in β ladder)trans-126.614217400000111M108 A111 S112 M173M108-G123 VanDerWaalsContact CE-N 3.3Å; A111-G123 WeakPolarHBondContact CA-O 3.46Å; A111-G123 WeakPolarHBondContact CB-O 3.4Å; S112-G123 PolarHBondContact N-O 3.15Å; S112-G123 VanDerWaalsContact N-O 3.15Å; S112-G123 PolarHBondContact O-N 2.7Å; G123-M173 CarbonylContact C-O 3.38Å; G123-M173 WeakPolarHBondContact CA-O 3.39Å
124L98.8Very high96.9Very high3 Ų322 Ų222%0.01611%0.107CC..EExtended strand (participates in β ladder)trans-134.3109.7174.6-178.260.8000109.2A111 L154 E158 L162 M173 S174 L214A111-L124 HydrophobicContact CB-CD1 4.08Å; L124-L154 HydrophobicContact CD1-CD2 3.51Å; L124-L154 HydrophobicContact CD2-CD2 4.04Å; L124-L154 HydrophobicContact CG-CD2 3.58Å; L124-E158 HydrophobicContact CD1-CB 4.28Å; L124-L162 HydrophobicContact CB-CD1 4.04Å; L124-L162 HydrophobicContact CD1-CD1 3.9Å; L124-L162 HydrophobicContact CD2-CD1 4.34Å; L124-L162 HydrophobicContact CG-CD1 4.32Å; L124-M173 PolarHBondContact N-O 2.97Å; L124-S174 WeakPolarHBondContact O-CA 3.39Å; L124-L214 HydrophobicContact CD2-CD1 3.62Å
125S98.8Very high96.8Very high12 Ų1223.5 Ų23.58%0.08411%0.114CC..  trans-88.9145.9-175.9-64.40000112.3G83 Y107 G109 Y110 L154G83-S125 PolarHBondContact N-OG 2.82Å; Y107-S125 WeakPolarHBondContact CE2-OG 3.38Å; G109-S125 VanDerWaalsContact O-CB 3.28Å; G109-S125 WeakPolarHBondContact O-CB 3.33Å; G109-S125 PolarHBondContact O-OG 2.97Å; Y110-S125 PolarHBondContact O-N 3.45Å; S125-L154 WeakPolarHBondContact O-CD2 3.37Å
126G98.3Very high96.8Very high3 Ų324 Ų243%0.03112%0.117CC..SBendtrans99.8-173.417200000115.2G83 Y152G83-G126 PolarHBondContact O-N 2.92Å; G126-Y152 WeakPolarHBondContact CA-O 3.31Å
127I98.1Very high96.8Very high5 Ų524.4 Ų24.43%0.02612%0.119CC..BIsolated β-bridgetrans-122156.3179.763.9172.3000111.8N85 Y152 H153 L154 D176N85-I127 HydrophobicContact CB-CD1 3.93Å; N85-I127 HydrophobicContact CB-CG1 4.31Å; N85-I127 HydrophobicContact CB-CG2 4.11Å; I127-Y152 HydrophobicContact CD1-CD2 4.47Å; I127-Y152 HydrophobicContact CD1-CE2 3.86Å; I127-Y152 HydrophobicContact CG1-CD2 4.04Å; I127-Y152 HydrophobicContact CG1-CE2 3.92Å; I127-Y152 PolarHBondContact N-O 2.91Å; I127-H153 WeakPolarHBondContact O-CA 3.32Å; I127-L154 PolarHBondContact O-N 2.87Å; I127-D176 HydrophobicContact CG2-CB 4.35Å
128Y98.2Very high96.9Very high36 Ų3626 Ų2614%0.14113%0.125CC..  trans-78.9129.4177.6179.8-108.6000112.6Q130 Y133 D176 P209 P210Y128-Q130 HydrophobicContact CE1-CB 4.24Å; Y128-Q130 VanDerWaalsContact OH-CD 3.24Å; Y128-Q130 PolarHBondContact OH-NE2 2.94Å; Y128-Q130 PolarHBondContact OH-OE1 3.07Å; Y128-Y133 HydrophobicContact CD2-CD2 4.06Å; Y128-Y133 HydrophobicContact CD2-CG 4.24Å; Y128-Y133 HydrophobicContact CE2-CD1 4.01Å; Y128-Y133 AromaticContact CE2-CD2 3.83Å; Y128-Y133 HydrophobicContact CE2-CD2 3.83Å; Y128-Y133 HydrophobicContact CE2-CE2 4.44Å; Y128-Y133 AromaticContact CE2-CG 3.58Å; Y128-Y133 HydrophobicContact CE2-CG 3.58Å; Y128-D176 PolarHBondContact N-OD2 3.49Å; Y128-P209 VanDerWaalsContact CD1-CD 3.46Å; Y128-P209 HydrophobicContact CD1-CG 4.21Å; Y128-P209 HydrophobicContact CE1-CG 3.88Å; Y128-P210 VanDerWaalsContact CD2-CD 3.44Å; Y128-P210 HydrophobicContact CD2-CG 3.49Å; Y128-P210 VanDerWaalsContact CD2-CG 3.49Å; Y128-P210 HydrophobicContact CE2-CG 3.54Å; Y128-P210 HydrophobicContact CG-CG 4.42Å
129K97.7Very high97.1Very high56 Ų5626.1 Ų26.124%0.24313%0.125CC..  trans-135.9118.5161.7-61.4-62.5176.8-153.40110.9H131 D132 Y133 H153K129-H131 PolarHBondContact O-N 3.08Å; K129-D132 PolarHBondContact O-N 3.15Å; K129-Y133 PolarHBondContact O-N 3.24Å; K129-H153 VanDerWaalsContact CG-CE1 3.42Å; K129-H153 WeakPolarHBondContact CG-CE1 3.34Å; K129-H153 WeakPolarHBondContact CG-NE2 3.15Å
130Q96.5Very high97.1Very high97 Ų9730.1 Ų30.145%0.45314%0.143SC..THydrogen-bonded Turntrans-49.5-35.8-177.1179.166.385.300115.3Y128Y128-Q130 HydrophobicContact CE1-CB 4.24Å; Y128-Q130 VanDerWaalsContact OH-CD 3.24Å; Y128-Q130 PolarHBondContact OH-NE2 2.94Å; Y128-Q130 PolarHBondContact OH-OE1 3.07Å
131H96Very high96.9Very high135 Ų13530.5 Ų30.563%0.62515%0.147SC*.THydrogen-bonded Turntrans-80.5-19.2-176.457-99.7000114K129K129-H131 PolarHBondContact O-N 3.08Å
132D97.4Very high96.5Very high8 Ų835.2 Ų35.24%0.04318%0.177CC..THydrogen-bonded Turntrans-105.1-19179.1-94.1-47.1000112.5K129 T134 M135 Y138 S150 H153 R155K129-D132 PolarHBondContact O-N 3.15Å; D132-T134 VanDerWaalsContact C-N 3.32Å; D132-T134 PolarHBondContact O-N 2.81Å; D132-M135 WeakPolarHBondContact O-CB 3.49Å; D132-M135 PolarHBondContact O-N 3.16Å; D132-Y138 PolarHBondContact OD1-OH 2.96Å; D132-S150 WeakPolarHBondContact OD2-CB 3.08Å; D132-H153 HydrophobicContact CB-CB 3.88Å; D132-H153 IonicContact OD2-CE1 3.57Å; D132-H153 IonicContact OD2-CG 2.69Å; D132-H153 IonicContact OD2-ND1 3.75Å; D132-H153 PolarHBondContact OD2-ND1 3.02Å; D132-R155 VanDerWaalsContact CB-NH1 3.27Å; D132-R155 WeakPolarHBondContact O-CD 3.26Å; D132-R155 PolarHBondContact O-NH1 3.35Å; D132-R155 IonicContact OD1-NH1 3.99Å; D132-R155 PolarHBondContact OD1-NH1 3.34Å
133Y97.9Very high96.2Very high32 Ų3236.4 Ų36.413%0.12518%0.182CC..THydrogen-bonded Turntrans-57.8-37.3-172.1-179.8-118.3000114.7Y128 K129 L154 R155 N156 V159 P210Y128-Y133 HydrophobicContact CD2-CD2 4.06Å; Y128-Y133 HydrophobicContact CD2-CG 4.24Å; Y128-Y133 HydrophobicContact CE2-CD1 4.01Å; Y128-Y133 AromaticContact CE2-CD2 3.83Å; Y128-Y133 HydrophobicContact CE2-CD2 3.83Å; Y128-Y133 HydrophobicContact CE2-CE2 4.44Å; Y128-Y133 AromaticContact CE2-CG 3.58Å; Y128-Y133 HydrophobicContact CE2-CG 3.58Å; K129-Y133 PolarHBondContact O-N 3.24Å; Y133-L154 WeakPolarHBondContact CA-O 3.49Å; Y133-R155 CarbonylContact O-C 3.3Å; Y133-R155 WeakPolarHBondContact O-CA 3.25Å; Y133-N156 HydrophobicContact CD1-CB 4.33Å; Y133-N156 HydrophobicContact CE1-CB 3.9Å; Y133-N156 HydrophobicContact CE2-CB 4.08Å; Y133-N156 WeakPolarHBondContact O-CB 3.34Å; Y133-N156 PolarHBondContact O-N 2.86Å; Y133-V159 HydrophobicContact CE2-CB 4.48Å; Y133-V159 HydrophobicContact CE2-CG2 4.04Å; Y133-V159 WeakPolarHBondContact OH-CG1 3.3Å; Y133-P210 HydrophobicContact CD2-CG 4.02Å; Y133-P210 HydrophobicContact CE1-CG 4.18Å; Y133-P210 HydrophobicContact CE2-CB 3.96Å; Y133-P210 HydrophobicContact CE2-CG 3.42Å; Y133-P210 VanDerWaalsContact CE2-CG 3.42Å
134T97Very high95.9Very high60 Ų6039.3 Ų39.337%0.36820%0.203SC..THydrogen-bonded Turntrans-89.7-0.1178.954.90000113.3D132 P357 C358D132-T134 VanDerWaalsContact C-N 3.32Å; D132-T134 PolarHBondContact O-N 2.81Å; T134-P357 CarbonylContact O-C 3.35Å; T134-P357 WeakPolarHBondContact O-CA 3.26Å; T134-P357 WeakPolarHBondContact O-CB 3.33Å; T134-C358 PolarHBondContact O-N 3.39Å
135M96.7Very high95.6Very high32 Ų3244.4 Ų44.416%0.15823%0.226CC..BIsolated β-bridgetrans-86.1157.4-179.2-53.9-65.2-70.300110.9D132 Y138 R155 K355 P357D132-M135 WeakPolarHBondContact O-CB 3.49Å; D132-M135 PolarHBondContact O-N 3.16Å; M135-Y138 HydrophobicContact CB-CD1 4.45Å; M135-Y138 HydrophobicContact CB-CE1 4.13Å; M135-Y138 HydrophobicContact CE-CD1 4.49Å; M135-Y138 HydrophobicContact CE-CE1 4.12Å; M135-R155 VanDerWaalsContact O-CD 3.3Å; M135-R155 WeakPolarHBondContact O-CD 3.4Å; M135-K355 WeakPolarHBondContact CE-O 3.36Å; M135-P357 HydrophobicContact SD-CG 3.94Å
136C95.2Very high95.5Very high11 Ų1146.7 Ų46.77%0.07425%0.246CC..  trans-76.6171.1166.3-49.90000111.1Y138 S352 S354 V356C136-Y138 VanDerWaalsContact O-CD1 3.26Å; C136-Y138 WeakPolarHBondContact O-CD1 3.49Å; C136-Y138 PolarHBondContact O-N 2.81Å; C136-S352 VanDerWaalsContact CB-O 3.26Å; C136-S352 WeakPolarHBondContact CB-O 3.18Å; C136-S354 WeakPolarHBondContact CB-O 3.37Å; C136-V356 PolarHBondContact SG-O 2.62Å; C136-V356 VanDerWaalsContact SG-O 3.32Å
137H95.4Very high95.4Very high10 Ų1047.7 Ų47.75%0.04625%0.251CS..  trans-78.199.6169.9-74.3-85.5000110.3Y110 R155 E158 T353 F456Y110-H137 AromaticContact CD2-CD2 3.69Å; Y110-H137 AromaticContact CD2-CE1 3.75Å; Y110-H137 AromaticContact CD2-NE2 3.38Å; Y110-H137 WeakPolarHBondContact CD2-NE2 3.31Å; Y110-H137 HydrophobicContact CE2-CB 4.34Å; Y110-H137 AromaticContact CE2-CD2 3.59Å; Y110-H137 AromaticContact CE2-CE1 3.69Å; Y110-H137 AromaticContact CE2-CG 3.66Å; Y110-H137 AromaticContact CE2-ND1 3.74Å; Y110-H137 AromaticContact CE2-NE2 3.62Å; Y110-H137 AromaticContact CG-NE2 3.92Å; Y110-H137 AromaticContact CZ-CE1 3.95Å; Y110-H137 AromaticContact CZ-ND1 3.86Å; H137-R155 VanDerWaalsContact NE2-CG 3.28Å; H137-R155 WeakPolarHBondContact NE2-CG 3.35Å; H137-E158 IonicContact NE2-OE2 2.67Å; H137-T353 WeakPolarHBondContact O-CA 3.43Å; H137-F456 WeakPolarHBondContact O-CZ 3.46Å
138Y95.8Very high95.2Very high40 Ų4048.2 Ų48.216%0.15725%0.253CS..  trans-110.4-5.3-176.663.1-101.9000113.7D132 M135 C136 T147 T353 K355D132-Y138 PolarHBondContact OD1-OH 2.96Å; M135-Y138 HydrophobicContact CB-CD1 4.45Å; M135-Y138 HydrophobicContact CB-CE1 4.13Å; M135-Y138 HydrophobicContact CE-CD1 4.49Å; M135-Y138 HydrophobicContact CE-CE1 4.12Å; C136-Y138 VanDerWaalsContact O-CD1 3.26Å; C136-Y138 WeakPolarHBondContact O-CD1 3.49Å; C136-Y138 PolarHBondContact O-N 2.81Å; Y138-T147 HydrophobicContact CE2-CG2 4.32Å; Y138-T353 WeakPolarHBondContact CA-O 3.33Å; Y138-T353 WeakPolarHBondContact CB-O 3.37Å; Y138-K355 HydrophobicContact CD1-CG 4.06Å; Y138-K355 HydrophobicContact CD2-CD 4.11Å; Y138-K355 HydrophobicContact CD2-CG 3.71Å; Y138-K355 HydrophobicContact CE2-CD 4.47Å; Y138-K355 HydrophobicContact CE2-CG 4.33Å; Y138-K355 HydrophobicContact CG-CD 4.45Å; Y138-K355 HydrophobicContact CG-CG 3.56Å
139E96.2Very high95.1Very high1 Ų149.7 Ų49.71%0.00526%0.259CS..  trans-77.2139.1-179.8-58.279.3-17500110.4Q93 Y143 T147 S150 V151 R155 F456Q93-E139 PolarHBondContact NE2-O 3.43Å; Q93-E139 PolarHBondContact OE1-O 3.35Å; E139-Y143 HydrophobicContact CB-CD1 4.37Å; E139-Y143 HydrophobicContact CB-CE1 4.03Å; E139-T147 HydrophobicContact CG-CG2 4.02Å; E139-S150 VanDerWaalsContact CD-OG 3.29Å; E139-S150 VanDerWaalsContact CG-OG 3.25Å; E139-S150 WeakPolarHBondContact CG-OG 3.46Å; E139-S150 WeakPolarHBondContact OE1-CB 2.95Å; E139-S150 PolarHBondContact OE1-OG 3.25Å; E139-V151 HydrophobicContact CB-CB 3.84Å; E139-V151 HydrophobicContact CB-CG2 4.15Å; E139-V151 HydrophobicContact CG-CB 4.12Å; E139-R155 IonicContact OE1-CZ 3.3Å; E139-R155 IonicContact OE1-NH2 3.21Å; E139-R155 PolarHBondContact OE1-NH2 2.85Å; E139-R155 IonicContact OE2-NH2 2.7Å; E139-R155 PolarHBondContact OE2-NH2 2.98Å; E139-F456 WeakPolarHBondContact O-CE2 3.44Å; E139-F456 WeakPolarHBondContact O-CZ 3.42Å
140H93.5Very high95.1Very high84 Ų8447.2 Ų47.239%0.38925%0.249SC..  trans-151.9160.9169.961.485.4000109.6Y143 F456H140-Y143 VanDerWaalsContact C-CE1 3.44Å; H140-Y143 WeakPolarHBondContact O-CD1 3.36Å; H140-F456 HydrophobicContact CB-CD1 4.23Å; H140-F456 HydrophobicContact CB-CD2 4.06Å; H140-F456 HydrophobicContact CB-CE1 4.33Å; H140-F456 HydrophobicContact CB-CE2 4.18Å; H140-F456 HydrophobicContact CB-CG 4.09Å; H140-F456 HydrophobicContact CB-CZ 4.31Å; H140-F456 AromaticContact CD2-CD1 3.58Å; H140-F456 AromaticContact CD2-CE1 3.64Å
141P91.3Very high95.1Very high16 Ų1642.9 Ų42.910%0.10423%0.229CC..SBendtrans-60.4149.9171.6-23.633.9000112.6Y143 Q432P141-Y143 HydrophobicContact CG-CE2 3.88Å; P141-Q432 HydrophobicContact CB-CB 4.37Å
142P90.7Very high95.2Very high98 Ų9837.4 Ų37.464%0.63620%0.203SC*.SBendcis-76.3127.2-7.230.9-33.9000111.6
143Y91.7Very high95.3Very high26 Ų2637.3 Ų37.310%0.10220%0.202CC..PPolyproline II helixtrans-73.4134.7-176.6-57.8-68.2000112.7T52 Q93 E139 H140 P141 V151T52-Y143 HydrophobicContact CG2-CD2 4.03Å; T52-Y143 HydrophobicContact CG2-CE2 3.96Å; Q93-Y143 PolarHBondContact OE1-OH 2.89Å; E139-Y143 HydrophobicContact CB-CD1 4.37Å; E139-Y143 HydrophobicContact CB-CE1 4.03Å; H140-Y143 VanDerWaalsContact C-CE1 3.44Å; H140-Y143 WeakPolarHBondContact O-CD1 3.36Å; P141-Y143 HydrophobicContact CG-CE2 3.88Å; Y143-V151 HydrophobicContact CE1-CB 4.21Å; Y143-V151 HydrophobicContact CE1-CG2 4.06Å
144S93.2Very high95.3Very high61 Ų6136.1 Ų36.143%0.42720%0.198SC..PPolyproline II helixtrans-70.9163.315672.10000111.2A146 T147 K148S144-A146 PolarHBondContact O-N 3.03Å; S144-A146 VanDerWaalsContact O-N 3.13Å; S144-A146 PolarHBondContact OG-N 3.31Å; S144-T147 PolarHBondContact N-OG1 3.09Å; S144-T147 PolarHBondContact O-N 2.8Å; S144-T147 PolarHBondContact O-OG1 2.89Å; S144-T147 VanDerWaalsContact O-OG1 3.11Å; S144-T147 PolarHBondContact OG-N 3.3Å; S144-T147 VanDerWaalsContact OG-N 3.13Å; S144-T147 PolarHBondContact OG-OG1 2.66Å; S144-K148 WeakPolarHBondContact O-CB 3.49Å; S144-K148 PolarHBondContact O-N 3.15Å
145E92.7Very high95.3Very high110 Ų11033.3 Ų33.351%0.51418%0.18SC..THydrogen-bonded Turntrans-57.1-27.5173.4-68.6-57.1127.500113.8K148 R149E145-K148 WeakPolarHBondContact OE1-CE 3.28Å; E145-K148 IonicContact OE1-NZ 2.84Å; E145-K148 PolarHBondContact OE1-NZ 2.68Å; E145-K148 IonicContact OE2-NZ 3.91Å; E145-R149 PolarHBondContact O-NH1 2.99Å; E145-R149 PolarHBondContact O-NH2 3.23Å
146A95.7Very high95.3Very high60 Ų6032.4 Ų32.450%0.49618%0.176SC..THydrogen-bonded Turntrans-76.2-51.8175.600000111.5S144 K148 R149 S150S144-A146 PolarHBondContact O-N 3.03Å; S144-A146 VanDerWaalsContact O-N 3.13Å; S144-A146 PolarHBondContact OG-N 3.31Å; A146-K148 VanDerWaalsContact C-N 3.25Å; A146-K148 PolarHBondContact O-N 3.39Å; A146-R149 WeakPolarHBondContact O-CB 3.25Å; A146-R149 PolarHBondContact O-N 2.82Å; A146-S150 PolarHBondContact O-N 3.33Å
147T95.7Very high95.5Very high24 Ų2432.2 Ų32.215%0.14717%0.174CC..Hα-helixtrans-66.8-26.8-179.752.30000113.1Y138 E139 S144 R149 S150 V151Y138-T147 HydrophobicContact CE2-CG2 4.32Å; E139-T147 HydrophobicContact CG-CG2 4.02Å; S144-T147 PolarHBondContact N-OG1 3.09Å; S144-T147 PolarHBondContact O-N 2.8Å; S144-T147 PolarHBondContact O-OG1 2.89Å; S144-T147 VanDerWaalsContact O-OG1 3.11Å; S144-T147 PolarHBondContact OG-N 3.3Å; S144-T147 VanDerWaalsContact OG-N 3.13Å; S144-T147 PolarHBondContact OG-OG1 2.66Å; T147-R149 PolarHBondContact O-N 2.94Å; T147-S150 WeakPolarHBondContact CA-OG 3.32Å; T147-S150 PolarHBondContact O-N 3.36Å; T147-V151 WeakPolarHBondContact O-CB 3.29Å; T147-V151 WeakPolarHBondContact O-CG1 3.29Å; T147-V151 PolarHBondContact O-N 2.99Å
148K94.6Very high95.6Very high15 Ų1532.1 Ų32.17%0.06517%0.174CC..Hα-helixtrans-60.2-24.6170.3-176.5-176-64.7-171.40113T51 T52 M53 S144 E145 A146 Y152T51-K148 WeakPolarHBondContact O-CE 3.4Å; T51-K148 PolarHBondContact O-NZ 3.08Å; T52-K148 WeakPolarHBondContact O-CG 3.43Å; M53-K148 WeakPolarHBondContact O-CD 3.4Å; S144-K148 WeakPolarHBondContact O-CB 3.49Å; S144-K148 PolarHBondContact O-N 3.15Å; E145-K148 WeakPolarHBondContact OE1-CE 3.28Å; E145-K148 IonicContact OE1-NZ 2.84Å; E145-K148 PolarHBondContact OE1-NZ 2.68Å; E145-K148 IonicContact OE2-NZ 3.91Å; A146-K148 VanDerWaalsContact C-N 3.25Å; A146-K148 PolarHBondContact O-N 3.39Å; K148-Y152 VanDerWaalsContact O-CE1 3.27Å; K148-Y152 WeakPolarHBondContact O-CE1 3.36Å
149R96.4Very high95.7Very high67 Ų6730.4 Ų30.425%0.25317%0.167SC..Hα-helixtrans-92.2-50.9173.6-65.5-172.1-79.7-80.9-2.2111.6S54 E145 A146 T147 V151 Y152 H153 E565S54-R149 WeakPolarHBondContact OG-CG 3.5Å; E145-R149 PolarHBondContact O-NH1 2.99Å; E145-R149 PolarHBondContact O-NH2 3.23Å; A146-R149 WeakPolarHBondContact O-CB 3.25Å; A146-R149 PolarHBondContact O-N 2.82Å; T147-R149 PolarHBondContact O-N 2.94Å; R149-V151 PolarHBondContact O-N 3.48Å; R149-Y152 HydrophobicContact CB-CE1 4.46Å; R149-Y152 WeakPolarHBondContact CG-OH 3.47Å; R149-Y152 WeakPolarHBondContact O-CD1 3.45Å; R149-Y152 WeakPolarHBondContact O-CD2 3.43Å; R149-Y152 WeakPolarHBondContact O-CE1 3.34Å; R149-Y152 WeakPolarHBondContact O-CE2 3.47Å; R149-Y152 PolarHBondContact O-N 2.88Å; R149-H153 PolarHBondContact O-CD2 2.77Å; R149-H153 PolarHBondContact O-NE2 3.16Å; R149-E565 WeakPolarHBondContact CD-OE1 3.42Å; R149-E565 WeakPolarHBondContact CD-OE2 3.4Å; R149-E565 IonicContact NE-OE2 3.95Å
150S97.6Very high95.8Very high5 Ų532 Ų324%0.03517%0.174CC..Hα-helixtrans-65.2-23.6-174.464.50000114.3D132 E139 A146 T147 Y152 H153 R155D132-S150 WeakPolarHBondContact OD2-CB 3.08Å; E139-S150 VanDerWaalsContact CD-OG 3.29Å; E139-S150 VanDerWaalsContact CG-OG 3.25Å; E139-S150 WeakPolarHBondContact CG-OG 3.46Å; E139-S150 WeakPolarHBondContact OE1-CB 2.95Å; E139-S150 PolarHBondContact OE1-OG 3.25Å; A146-S150 PolarHBondContact O-N 3.33Å; T147-S150 WeakPolarHBondContact CA-OG 3.32Å; T147-S150 PolarHBondContact O-N 3.36Å; S150-Y152 VanDerWaalsContact C-N 3.26Å; S150-Y152 PolarHBondContact O-N 3.37Å; S150-H153 WeakPolarHBondContact CA-ND1 3.43Å; S150-H153 PolarHBondContact O-N 2.85Å; S150-R155 PolarHBondContact O-NH2 2.83Å
151V97.4Very high96Very high6 Ų628 Ų284%0.03616%0.156CC..THydrogen-bonded Turntrans-55.6-34175.2660000114.2E139 Y143 T147 R149E139-V151 HydrophobicContact CB-CB 3.84Å; E139-V151 HydrophobicContact CB-CG2 4.15Å; E139-V151 HydrophobicContact CG-CB 4.12Å; Y143-V151 HydrophobicContact CE1-CB 4.21Å; Y143-V151 HydrophobicContact CE1-CG2 4.06Å; T147-V151 WeakPolarHBondContact O-CB 3.29Å; T147-V151 WeakPolarHBondContact O-CG1 3.29Å; T147-V151 PolarHBondContact O-N 2.99Å; R149-V151 PolarHBondContact O-N 3.48Å
152Y97.6Very high96.3Very high20 Ų2027.3 Ų27.38%0.07815%0.151CC..THydrogen-bonded Turntrans-100.27177.861.4-111000113.7S54 N85 G126 I127 K148 R149 S150S54-Y152 PolarHBondContact OG-OH 2.89Å; N85-Y152 HydrophobicContact CB-CD2 3.72Å; N85-Y152 HydrophobicContact CB-CE1 4.37Å; N85-Y152 HydrophobicContact CB-CE2 3.39Å; N85-Y152 HydrophobicContact CB-CG 4.4Å; N85-Y152 WeakPolarHBondContact O-CE1 3.26Å; G126-Y152 WeakPolarHBondContact CA-O 3.31Å; I127-Y152 HydrophobicContact CD1-CD2 4.47Å; I127-Y152 HydrophobicContact CD1-CE2 3.86Å; I127-Y152 HydrophobicContact CG1-CD2 4.04Å; I127-Y152 HydrophobicContact CG1-CE2 3.92Å; I127-Y152 PolarHBondContact N-O 2.91Å; K148-Y152 VanDerWaalsContact O-CE1 3.27Å; K148-Y152 WeakPolarHBondContact O-CE1 3.36Å; R149-Y152 HydrophobicContact CB-CE1 4.46Å; R149-Y152 WeakPolarHBondContact CG-OH 3.47Å; R149-Y152 WeakPolarHBondContact O-CD1 3.45Å; R149-Y152 WeakPolarHBondContact O-CD2 3.43Å; R149-Y152 WeakPolarHBondContact O-CE1 3.34Å; R149-Y152 WeakPolarHBondContact O-CE2 3.47Å; R149-Y152 PolarHBondContact O-N 2.88Å; S150-Y152 VanDerWaalsContact C-N 3.26Å; S150-Y152 PolarHBondContact O-N 3.37Å
153H98.4Very high96.6Very high5 Ų523.3 Ų23.32%0.02313%0.128CC..BIsolated β-bridgetrans-75.9136175.9-66.8165.9000110.7I127 K129 D132 R149 S150 R155I127-H153 WeakPolarHBondContact O-CA 3.32Å; K129-H153 VanDerWaalsContact CG-CE1 3.42Å; K129-H153 WeakPolarHBondContact CG-CE1 3.34Å; K129-H153 WeakPolarHBondContact CG-NE2 3.15Å; D132-H153 HydrophobicContact CB-CB 3.88Å; D132-H153 IonicContact OD2-CE1 3.57Å; D132-H153 IonicContact OD2-CG 2.69Å; D132-H153 IonicContact OD2-ND1 3.75Å; D132-H153 PolarHBondContact OD2-ND1 3.02Å; R149-H153 PolarHBondContact O-CD2 2.77Å; R149-H153 PolarHBondContact O-NE2 3.16Å; S150-H153 WeakPolarHBondContact CA-ND1 3.43Å; S150-H153 PolarHBondContact O-N 2.85Å; H153-R155 PolarHBondContact O-NE 3.28Å
154L97.7Very high96.8Very high7 Ų722.9 Ų22.94%0.03713%0.127CC..  trans-56.3136.7173.8-72.4170.3000110.8L124 S125 I127 Y133L124-L154 HydrophobicContact CD1-CD2 3.51Å; L124-L154 HydrophobicContact CD2-CD2 4.04Å; L124-L154 HydrophobicContact CG-CD2 3.58Å; S125-L154 WeakPolarHBondContact O-CD2 3.37Å; I127-L154 PolarHBondContact O-N 2.87Å; Y133-L154 WeakPolarHBondContact CA-O 3.49Å
155R97.9Very high96.9Very high2 Ų220 Ų201%0.00811%0.107CC..  trans-109.1160.7170.6-43.8-55-176159.63.9111.4D132 Y133 M135 H137 E139 S150 H153 L157D132-R155 VanDerWaalsContact CB-NH1 3.27Å; D132-R155 WeakPolarHBondContact O-CD 3.26Å; D132-R155 PolarHBondContact O-NH1 3.35Å; D132-R155 IonicContact OD1-NH1 3.99Å; D132-R155 PolarHBondContact OD1-NH1 3.34Å; Y133-R155 CarbonylContact O-C 3.3Å; Y133-R155 WeakPolarHBondContact O-CA 3.25Å; M135-R155 VanDerWaalsContact O-CD 3.3Å; M135-R155 WeakPolarHBondContact O-CD 3.4Å; H137-R155 VanDerWaalsContact NE2-CG 3.28Å; H137-R155 WeakPolarHBondContact NE2-CG 3.35Å; E139-R155 IonicContact OE1-CZ 3.3Å; E139-R155 IonicContact OE1-NH2 3.21Å; E139-R155 PolarHBondContact OE1-NH2 2.85Å; E139-R155 IonicContact OE2-NH2 2.7Å; E139-R155 PolarHBondContact OE2-NH2 2.98Å; S150-R155 PolarHBondContact O-NH2 2.83Å; H153-R155 PolarHBondContact O-NE 3.28Å; R155-L157 VanDerWaalsContact C-N 3.27Å; R155-L157 PolarHBondContact O-N 3.01Å
156N97.7Very high96.7Very high12 Ų1216.3 Ų16.36%0.0649%0.088CC..Hα-helixtrans-66.7-26.9178.464.1-16.1000112.6Y133 F160 C358 L360Y133-N156 HydrophobicContact CD1-CB 4.33Å; Y133-N156 HydrophobicContact CE1-CB 3.9Å; Y133-N156 HydrophobicContact CE2-CB 4.08Å; Y133-N156 WeakPolarHBondContact O-CB 3.34Å; Y133-N156 PolarHBondContact O-N 2.86Å; N156-F160 WeakPolarHBondContact O-CB 3.5Å; N156-F160 PolarHBondContact O-N 3.39Å; N156-C358 PolarHBondContact ND2-O 3.44Å; N156-L360 HydrophobicContact CB-CD1 3.84Å
157L97.8Very high96.3Very high8 Ų815.1 Ų15.14%0.0427%0.071CC..Hα-helixtrans-64.1-48.3-179.5179.358.1000112.8R155 V159 F160 R161 L350 M351 L360R155-L157 VanDerWaalsContact C-N 3.27Å; R155-L157 PolarHBondContact O-N 3.01Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-F160 PolarHBondContact O-N 3.3Å; L157-R161 HydrophobicContact CD1-CG 4.36Å; L157-R161 WeakPolarHBondContact O-CB 3.47Å; L157-R161 VanDerWaalsContact O-CG 3.27Å; L157-R161 WeakPolarHBondContact O-CG 3.47Å; L157-R161 PolarHBondContact O-N 3.37Å; L157-L350 HydrophobicContact CD1-CB 3.64Å; L157-L350 HydrophobicContact CD1-CD1 4.24Å; L157-M351 HydrophobicContact CD2-CB 4.24Å; L157-M351 HydrophobicContact CD2-CE 3.91Å; L157-M351 HydrophobicContact CD2-SD 4.19Å; L157-L360 HydrophobicContact CD1-CD2 4.29Å
158E98.2Very high96Very high8 Ų816 Ų164%0.0377%0.071CC..Hα-helixtrans-66.5-39.8-179.9-75.755.2-122.400111.1A111 L124 H137 R161 L162A111-E158 HydrophobicContact CB-CB 3.9Å; A111-E158 HydrophobicContact CB-CG 4.02Å; L124-E158 HydrophobicContact CD1-CB 4.28Å; H137-E158 IonicContact NE2-OE2 2.67Å; E158-R161 PolarHBondContact O-N 2.92Å; E158-R161 IonicContact OE1-NH1 3.15Å; E158-R161 PolarHBondContact OE1-NH1 2.85Å; E158-L162 WeakPolarHBondContact O-CG 3.43Å; E158-L162 PolarHBondContact O-N 3.29Å
159V98.3Very high96Very high3 Ų315.3 Ų15.32%0.0187%0.068CC..Hα-helixtrans-65.3-43.7174.5175.10000110.9Y133 L157 L162 G163 P210 L214Y133-V159 HydrophobicContact CE2-CB 4.48Å; Y133-V159 HydrophobicContact CE2-CG2 4.04Å; Y133-V159 WeakPolarHBondContact OH-CG1 3.3Å; L157-V159 VanDerWaalsContact C-N 3.35Å; V159-L162 PolarHBondContact O-N 3.4Å; V159-G163 PolarHBondContact O-N 3.44Å; V159-P210 HydrophobicContact CB-CB 4.49Å; V159-P210 HydrophobicContact CG1-CB 4.01Å; V159-P210 HydrophobicContact CG2-CB 3.76Å; V159-L214 HydrophobicContact CB-CD1 4.46Å; V159-L214 HydrophobicContact CG1-CD1 4.08Å; V159-L214 HydrophobicContact CG1-CD2 4.24Å; V159-L214 HydrophobicContact CG1-CG 3.99Å; V159-L214 HydrophobicContact CG2-CD1 4.28Å
160F97.6Very high95.9Very high34 Ų3412.5 Ų12.515%0.1496%0.058CC..Hα-helixtrans-60.1-47.1175.8175.9-100.9000111.6N156 L157 G163 Q164 T347 L350 L360 F371N156-F160 WeakPolarHBondContact O-CB 3.5Å; N156-F160 PolarHBondContact O-N 3.39Å; L157-F160 PolarHBondContact O-N 3.3Å; F160-G163 PolarHBondContact O-N 2.65Å; F160-Q164 WeakPolarHBondContact O-CG 3.45Å; F160-Q164 PolarHBondContact O-N 3.47Å; F160-Q164 PolarHBondContact O-NE2 3.01Å; F160-T347 HydrophobicContact CE1-CG2 4.17Å; F160-L350 HydrophobicContact CD1-CD1 4.26Å; F160-L350 HydrophobicContact CE1-CD1 3.89Å; F160-L360 HydrophobicContact CB-CD1 3.72Å; F160-L360 HydrophobicContact CB-CD2 4.2Å; F160-L360 HydrophobicContact CD1-CD2 4.13Å; F160-L360 HydrophobicContact CD2-CD1 4.08Å; F160-L360 HydrophobicContact CG-CD1 4Å; F160-L360 HydrophobicContact CG-CD2 4.07Å; F160-F371 AromaticContact CE1-CD2 3.66Å; F160-F371 HydrophobicContact CE1-CD2 3.66Å; F160-F371 HydrophobicContact CE1-CE2 4.08Å; F160-F371 AromaticContact CZ-CD2 3.65Å; F160-F371 HydrophobicContact CZ-CD2 3.65Å; F160-F371 AromaticContact CZ-CE2 3.99Å; F160-F371 HydrophobicContact CZ-CE2 3.99Å
161R97.9Very high96Very high2 Ų212.2 Ų12.21%0.0086%0.057CC..Hα-helixtrans-58.9-51.9176.2-75.7168.4165.7162.8-1.2111.8L157 E158 G163 Q164 W340 I343 T347L157-R161 HydrophobicContact CD1-CG 4.36Å; L157-R161 WeakPolarHBondContact O-CB 3.47Å; L157-R161 VanDerWaalsContact O-CG 3.27Å; L157-R161 WeakPolarHBondContact O-CG 3.47Å; L157-R161 PolarHBondContact O-N 3.37Å; E158-R161 PolarHBondContact O-N 2.92Å; E158-R161 IonicContact OE1-NH1 3.15Å; E158-R161 PolarHBondContact OE1-NH1 2.85Å; R161-G163 PolarHBondContact O-N 2.9Å; R161-Q164 WeakPolarHBondContact O-CB 3.42Å; R161-Q164 PolarHBondContact O-N 3.45Å; R161-W340 HydrophobicContact CB-CH2 3.78Å; R161-W340 HydrophobicContact CB-CZ3 3.69Å; R161-I343 HydrophobicContact CB-CG2 3.92Å; R161-I343 HydrophobicContact CG-CG2 4.06Å; R161-T347 HydrophobicContact CG-CG2 4.4Å; R161-T347 WeakPolarHBondContact CG-OG1 3.36Å; R161-T347 PolarHBondContact NE-OG1 3.16Å; R161-T347 PolarHBondContact NH2-O 2.82Å; R161-T347 VanDerWaalsContact NH2-O 3.17Å
162L98.5Very high96.1Very high0 Ų012 Ų120%06%0.055CC..Hα-helixtrans-58.8-39.6175.7-75.2175.4000111.1A111 V113 A122 L124 E158 V159 Q164 I165 L214 L218 W340A111-L162 HydrophobicContact CB-CD1 3.98Å; A111-L162 HydrophobicContact CB-CG 4.17Å; V113-L162 HydrophobicContact CG2-CD2 4.14Å; A122-L162 HydrophobicContact CB-CD2 4.29Å; L124-L162 HydrophobicContact CB-CD1 4.04Å; L124-L162 HydrophobicContact CD1-CD1 3.9Å; L124-L162 HydrophobicContact CD2-CD1 4.34Å; L124-L162 HydrophobicContact CG-CD1 4.32Å; E158-L162 WeakPolarHBondContact O-CG 3.43Å; E158-L162 PolarHBondContact O-N 3.29Å; V159-L162 PolarHBondContact O-N 3.4Å; L162-Q164 PolarHBondContact O-N 3.04Å; L162-Q164 VanDerWaalsContact O-N 3.15Å; L162-I165 VanDerWaalsContact O-CB 3.32Å; L162-I165 WeakPolarHBondContact O-CB 3.22Å; L162-I165 WeakPolarHBondContact O-CG1 3.38Å; L162-I165 PolarHBondContact O-N 3.4Å; L162-I165 VanDerWaalsContact O-N 3.08Å; L162-L214 HydrophobicContact CB-CD1 4.28Å; L162-L214 HydrophobicContact CB-CD2 3.75Å; L162-L214 HydrophobicContact CD1-CD1 3.98Å; L162-L218 HydrophobicContact CB-CD1 4.32Å; L162-L218 WeakPolarHBondContact O-CD2 3.5Å; L162-W340 HydrophobicContact CD2-CE3 4.26Å; L162-W340 HydrophobicContact CD2-CH2 4.39Å; L162-W340 HydrophobicContact CD2-CZ3 3.78Å; L162-W340 HydrophobicContact CG-CH2 4.5Å; L162-W340 HydrophobicContact CG-CZ3 4.09Å
163G96.7Very high96.1Very high14 Ų1411 Ų1114%0.1445%0.051CC..Hα-helixtrans-61.6-16.3175.300000115.4V159 F160 R161 R217V159-G163 PolarHBondContact O-N 3.44Å; F160-G163 PolarHBondContact O-N 2.65Å; R161-G163 PolarHBondContact O-N 2.9Å; G163-R217 VanDerWaalsContact O-CZ 3.22Å; G163-R217 PolarHBondContact O-NE 3.39Å; G163-R217 PolarHBondContact O-NH2 2.96Å
164Q96Very high96.1Very high18 Ų1811 Ų118%0.0845%0.052CC..THydrogen-bonded Turntrans-78.2-19.6174.2-53.4-49.4-59.800113.1F160 R161 L162 R166 I343 F371 S372F160-Q164 WeakPolarHBondContact O-CG 3.45Å; F160-Q164 PolarHBondContact O-N 3.47Å; F160-Q164 PolarHBondContact O-NE2 3.01Å; R161-Q164 WeakPolarHBondContact O-CB 3.42Å; R161-Q164 PolarHBondContact O-N 3.45Å; L162-Q164 PolarHBondContact O-N 3.04Å; L162-Q164 VanDerWaalsContact O-N 3.15Å; Q164-R166 PolarHBondContact O-N 2.89Å; Q164-I343 HydrophobicContact CB-CD1 3.82Å; Q164-I343 HydrophobicContact CB-CG1 3.93Å; Q164-I343 HydrophobicContact CB-CG2 4.14Å; Q164-I343 HydrophobicContact CG-CG2 4.18Å; Q164-F371 HydrophobicContact CG-CB 3.99Å; Q164-S372 VanDerWaalsContact O-CB 3.26Å; Q164-S372 WeakPolarHBondContact O-CB 3.49Å
165I95Very high96.2Very high0 Ų010.7 Ų10.70%05%0.05CC..  trans-58.6121.4-179-65.4-74.4000110.1V113 L162 R167 L169 R217 L218 E339 W340 I343V113-I165 HydrophobicContact CG2-CD1 4.18Å; L162-I165 VanDerWaalsContact O-CB 3.32Å; L162-I165 WeakPolarHBondContact O-CB 3.22Å; L162-I165 WeakPolarHBondContact O-CG1 3.38Å; L162-I165 PolarHBondContact O-N 3.4Å; L162-I165 VanDerWaalsContact O-N 3.08Å; I165-R167 WeakPolarHBondContact CG2-O 3.34Å; I165-L169 HydrophobicContact CG2-CD1 4.4Å; I165-L169 HydrophobicContact CG2-CD2 4.48Å; I165-L169 HydrophobicContact CG2-CG 4.24Å; I165-R217 PolarHBondContact O-NH1 2.99Å; I165-R217 VanDerWaalsContact O-NH1 3.07Å; I165-R217 PolarHBondContact O-NH2 3.03Å; I165-L218 HydrophobicContact CB-CD2 3.95Å; I165-L218 HydrophobicContact CG2-CD2 4.37Å; I165-E339 HydrophobicContact CD1-CB 4.5Å; I165-E339 HydrophobicContact CD1-CG 4.05Å; I165-W340 HydrophobicContact CD1-CB 4.45Å; I165-I343 HydrophobicContact CD1-CD1 3.46Å; I165-I343 VanDerWaalsContact CD1-CD1 3.46Å; I165-I343 HydrophobicContact CG1-CD1 3.93Å
166R89Confident96.2Very high33 Ų3311.2 Ų11.213%0.1255%0.053CC..  trans-98.2-39.4178-76.8-175.7175.7163.22.6111.3Q164 N281 E339 D370 S372Q164-R166 PolarHBondContact O-N 2.89Å; R166-N281 WeakPolarHBondContact O-CB 3.32Å; R166-N281 PolarHBondContact O-N 2.89Å; R166-N281 PolarHBondContact O-ND2 2.96Å; R166-E339 PolarHBondContact N-OE1 2.84Å; R166-D370 IonicContact CZ-OD2 3.9Å; R166-D370 IonicContact NH2-OD1 2.7Å; R166-D370 IonicContact NH2-OD2 2.7Å; R166-D370 PolarHBondContact NH2-OD2 3.02Å; R166-S372 PolarHBondContact NE-OG 2.91Å; R166-S372 PolarHBondContact NH1-OG 3.07Å; R166-S372 PolarHBondContact NH2-OG 3.01Å
167R86.8Confident96.2Very high35 Ų3510.7 Ų10.713%0.1325%0.05CC..BIsolated β-bridgetrans-74.9139.7179.2-52.2163.483110.62.7109.4R120 I165 Y275 E339R120-R167 VanDerWaalsContact NH1-CB 3.34Å; R120-R167 PolarHBondContact NH1-O 3.02Å; I165-R167 WeakPolarHBondContact CG2-O 3.34Å; R167-Y275 VanDerWaalsContact NH2-CE1 3.29Å; R167-Y275 PolarHBondContact NH2-OH 3.28Å; R167-E339 WeakPolarHBondContact CB-OE2 3.43Å; R167-E339 WeakPolarHBondContact CD-OE2 3.36Å; R167-E339 WeakPolarHBondContact CG-OE2 3.29Å; R167-E339 PolarHBondContact N-OE1 2.96Å
168R88.9Confident96.3Very high41 Ų4110.3 Ų10.316%0.1555%0.048CC..PPolyproline II helixtrans-57.9145.7-179-167.4177.8-171-159.71.2111.9R120 R221 E272 S279R120-R168 PolarHBondContact NH1-O 2.89Å; R168-R221 VanDerWaalsContact CZ-CG 3.47Å; R168-E272 IonicContact CZ-OE1 2.7Å; R168-E272 IonicContact CZ-OE2 3.88Å; R168-E272 IonicContact NH1-OE1 3.85Å; R168-E272 PolarHBondContact NH1-OE1 3.45Å; R168-E272 IonicContact NH1-OE2 3.95Å; R168-E272 PolarHBondContact NH1-OE2 2.92Å; R168-S279 VanDerWaalsContact CB-O 3.27Å; R168-S279 WeakPolarHBondContact CB-O 2.97Å; R168-S279 PolarHBondContact N-O 2.99Å
169L94.1Very high96.3Very high1 Ų111.3 Ų11.31%0.0055%0.052CC..PPolyproline II helixtrans-101.9140.9171.3-65.5166.3000109.2V113 R120 A122 I165 L172 L218 P220 R221V113-L169 HydrophobicContact CG1-CD2 3.66Å; V113-L169 HydrophobicContact CG2-CD2 4.41Å; R120-L169 HydrophobicContact CB-CD2 4.16Å; A122-L169 HydrophobicContact CB-CD1 3.61Å; A122-L169 HydrophobicContact CB-CD2 4.06Å; A122-L169 HydrophobicContact CB-CG 4.42Å; I165-L169 HydrophobicContact CG2-CD1 4.4Å; I165-L169 HydrophobicContact CG2-CD2 4.48Å; I165-L169 HydrophobicContact CG2-CG 4.24Å; L169-L172 HydrophobicContact CD1-CD1 4.26Å; L169-L218 HydrophobicContact CD1-CD1 4Å; L169-P220 HydrophobicContact CB-CB 4.12Å; L169-P220 VanDerWaalsContact O-CA 3.29Å; L169-P220 WeakPolarHBondContact O-CA 3.43Å; L169-R221 PolarHBondContact O-N 3.45Å
170D95.7Very high96.2Very high8 Ų811.6 Ų11.64%0.0436%0.055CC..SBendtrans-76-47.4171.6-62.9-72.9000109.8L119 R120 R221 Y222L119-D170 WeakPolarHBondContact CA-OD2 3.37Å; L119-D170 HydrophobicContact CB-CB 4.44Å; L119-D170 HydrophobicContact CD2-CB 4.19Å; R120-D170 PolarHBondContact N-OD2 3.05Å; R120-D170 PolarHBondContact O-N 3.19Å; D170-R221 WeakPolarHBondContact O-CB 3.4Å; D170-R221 PolarHBondContact O-N 3.02Å; D170-R221 WeakPolarHBondContact OD1-CD 3.28Å; D170-R221 IonicContact OD1-CZ 3.35Å; D170-R221 IonicContact OD1-NE 3.77Å; D170-R221 IonicContact OD1-NH1 3.24Å; D170-R221 PolarHBondContact OD1-NH1 2.89Å; D170-Y222 PolarHBondContact O-N 3.14Å
171I98.6Very high96.2Very high0 Ų010 Ų100%05%0.048CC..EExtended strand (participates in β ladder)trans-130137-174.4-54.4174.4000108.9L36 L119 R120 I121 A122 M173 F224 I269L36-I171 HydrophobicContact CD1-CD1 3.74Å; L36-I171 HydrophobicContact CD1-CG2 3.98Å; L119-I171 HydrophobicContact CD1-CD1 4.2Å; R120-I171 PolarHBondContact O-N 3.2Å; R120-I171 VanDerWaalsContact O-N 3.15Å; I121-I171 WeakPolarHBondContact CA-O 3.47Å; I121-I171 HydrophobicContact CD1-CD1 4.29Å; I121-I171 HydrophobicContact CG1-CB 4.34Å; I121-I171 HydrophobicContact CG1-CD1 4.23Å; I121-I171 HydrophobicContact CG2-CB 4.21Å; I121-I171 HydrophobicContact CG2-CG2 4.29Å; A122-I171 PolarHBondContact N-O 3.44Å; I171-M173 HydrophobicContact CG2-CG 4.16Å; I171-F224 HydrophobicContact CD1-CE2 4.21Å; I171-F224 HydrophobicContact CG1-CE2 4.3Å; I171-F224 HydrophobicContact CG2-CD2 3.52Å; I171-F224 HydrophobicContact CG2-CE2 3.59Å; I171-I269 HydrophobicContact CD1-CD1 3.71Å; I171-I269 HydrophobicContact CG1-CD1 4.19Å
172L98.8Very high96.2Very high0 Ų09.9 Ų9.90%05%0.047CC..EExtended strand (participates in β ladder)trans-122.2129.6160.7-163154.8000109.3A122 L169 L218 P220 Y222 W223 F224A122-L172 HydrophobicContact CB-CB 4.4Å; A122-L172 HydrophobicContact CB-CD1 4.16Å; A122-L172 HydrophobicContact CB-CG 3.9Å; A122-L172 CarbonylContact O-C 3.59Å; A122-L172 WeakPolarHBondContact O-CA 3.37Å; L169-L172 HydrophobicContact CD1-CD1 4.26Å; L172-L218 HydrophobicContact CD1-CD1 3.91Å; L172-P220 HydrophobicContact CB-CB 4.38Å; L172-P220 HydrophobicContact CB-CG 4.12Å; L172-Y222 PolarHBondContact N-O 3.02Å; L172-W223 HydrophobicContact CB-CD2 4.3Å; L172-W223 HydrophobicContact CB-CE3 4.04Å; L172-W223 HydrophobicContact CB-CZ3 4.33Å; L172-W223 HydrophobicContact CD1-CE3 4.28Å; L172-W223 HydrophobicContact CD1-CH2 3.98Å; L172-W223 HydrophobicContact CD1-CZ3 3.72Å; L172-W223 HydrophobicContact CD2-CD2 4.05Å; L172-W223 HydrophobicContact CD2-CE3 4.12Å; L172-W223 HydrophobicContact CD2-CH2 3.59Å; L172-W223 HydrophobicContact CD2-CZ2 3.49Å; L172-W223 VanDerWaalsContact CD2-CZ2 3.49Å; L172-W223 HydrophobicContact CD2-CZ3 3.89Å; L172-W223 HydrophobicContact CG-CE3 4.34Å; L172-W223 HydrophobicContact CG-CH2 4.32Å; L172-W223 HydrophobicContact CG-CZ3 4.17Å; L172-W223 CarbonylContact O-C 3.57Å; L172-W223 VanDerWaalsContact O-CA 3.31Å; L172-W223 WeakPolarHBondContact O-CA 3.46Å; L172-F224 PolarHBondContact O-N 3.32Å
173M98.8Very high96.1Very high0 Ų015.3 Ų15.30%07%0.073CC..EExtended strand (participates in β ladder)trans-106.3130.4175.1-62.9167.564.700109.4L36 C37 V82 I121 A122 G123 L124 I171 F224L36-M173 HydrophobicContact CB-CE 3.77Å; L36-M173 HydrophobicContact CB-SD 3.8Å; L36-M173 HydrophobicContact CD1-SD 4.04Å; L36-M173 HydrophobicContact CD2-CE 4.45Å; L36-M173 HydrophobicContact CD2-SD 3.72Å; L36-M173 HydrophobicContact CG-SD 4.06Å; C37-M173 WeakPolarHBondContact O-CE 3.02Å; V82-M173 HydrophobicContact CG1-CB 3.91Å; V82-M173 HydrophobicContact CG2-CB 4.35Å; I121-M173 HydrophobicContact CG2-SD 4.19Å; A122-M173 PolarHBondContact O-N 3.03Å; G123-M173 CarbonylContact C-O 3.38Å; G123-M173 WeakPolarHBondContact CA-O 3.39Å; L124-M173 PolarHBondContact N-O 2.97Å; I171-M173 HydrophobicContact CG2-CG 4.16Å; M173-F224 WeakPolarHBondContact CA-O 3.44Å
174S98.8Very high96.1Very high6 Ų620.2 Ų20.24%0.0429%0.087CC..EExtended strand (participates in β ladder)trans-136.1143.6169650000109.7L124 D176 W223 F224 S225L124-S174 WeakPolarHBondContact O-CA 3.39Å; S174-D176 WeakPolarHBondContact CB-O 3.31Å; S174-D176 PolarHBondContact OG-O 3.47Å; S174-W223 PolarHBondContact OG-NE1 2.93Å; S174-F224 PolarHBondContact N-O 3.22Å; S174-S225 WeakPolarHBondContact O-CA 3.49Å; S174-S225 VanDerWaalsContact O-CB 3.32Å; S174-S225 WeakPolarHBondContact O-CB 3.27Å; S174-S225 PolarHBondContact O-OG 2.88Å; S174-S225 PolarHBondContact OG-OG 2.94Å
175H98.7Very high96.2Very high0 Ų020.7 Ų20.70%010%0.097CC..SBendtrans-66.8-57.2175.5179.970.6000111.1C9 C38 D40 G83 G84 N85 A226 H227C9-H175 VanDerWaalsContact SG-CE1 3.56Å; C38-H175 WeakPolarHBondContact O-CA 3.47Å; C38-H175 PolarHBondContact O-ND1 3Å; D40-H175 VanDerWaalsContact CG-CE1 3.46Å; D40-H175 IonicContact OD1-CE1 2.7Å; D40-H175 IonicContact OD1-NE2 3.16Å; D40-H175 IonicContact OD2-CE1 3.89Å; D40-H175 PolarHBondContact OD2-CE1 3.16Å; D40-H175 IonicContact OD2-NE2 3.89Å; G83-H175 WeakPolarHBondContact O-CB 3.45Å; G84-H175 VanDerWaalsContact CA-CD2 3.45Å; G84-H175 WeakPolarHBondContact CA-CD2 3.43Å; G84-H175 VanDerWaalsContact CA-CG 3.46Å; N85-H175 PolarHBondContact OD1-NE2 3.41Å; H175-A226 CarbonylContact O-C 3.56Å; H175-A226 PolarHBondContact O-N 2.85Å; H175-H227 AromaticContact CD2-CG 3.82Å; H175-H227 AromaticContact CD2-ND1 3.54Å; H175-H227 AromaticContact NE2-CG 3.61Å; H175-H227 AromaticContact NE2-ND1 3.05Å; H175-H227 PolarHBondContact NE2-ND1 2.82Å; H175-H227 WeakPolarHBondContact O-CB 3.33Å
176D97.9Very high96.3Very high12 Ų1224.5 Ų24.56%0.06412%0.118CC..SBendtrans-69.1153.7173.4-159.8-6.6000111.9I127 Y128 S174 G207 S208 S225 H227I127-D176 HydrophobicContact CG2-CB 4.35Å; Y128-D176 PolarHBondContact N-OD2 3.49Å; S174-D176 WeakPolarHBondContact CB-O 3.31Å; S174-D176 PolarHBondContact OG-O 3.47Å; D176-G207 WeakPolarHBondContact OD1-CA 3.4Å; D176-S208 WeakPolarHBondContact OD2-CB 3.3Å; D176-S225 PolarHBondContact O-OG 2.9Å; D176-H227 IonicContact OD1-CD2 3.83Å
177W98.5Very high96.6Very high2 Ų225.4 Ų25.41%0.00813%0.125CC..PPolyproline II helixtrans-80.8148178.9-71.826.1000110.5R179 I181 L190 G207 S208 A226 L228 F232 F251 A253W177-R179 PolarHBondContact O-N 3.29Å; W177-I181 HydrophobicContact CB-CG2 4.19Å; W177-I181 HydrophobicContact CD2-CG2 4.28Å; W177-I181 HydrophobicContact CE3-CG2 3.56Å; W177-I181 HydrophobicContact CZ3-CG2 4.38Å; W177-L190 HydrophobicContact CH2-CD1 4.09Å; W177-L190 HydrophobicContact CZ3-CD2 4.15Å; W177-G207 CarbonylContact O-C 3.57Å; W177-S208 WeakPolarHBondContact O-CB 3.35Å; W177-S208 PolarHBondContact O-N 3.13Å; W177-A226 PolarHBondContact NE1-O 2.69Å; W177-L228 HydrophobicContact CD2-CD1 3.57Å; W177-L228 HydrophobicContact CD2-CG 4.2Å; W177-L228 HydrophobicContact CE3-CD1 3.84Å; W177-L228 HydrophobicContact CG-CD1 3.9Å; W177-L228 HydrophobicContact CG-CG 4.25Å; W177-L228 HydrophobicContact CH2-CD1 4.3Å; W177-L228 HydrophobicContact CZ2-CB 3.86Å; W177-L228 HydrophobicContact CZ2-CD1 4.08Å; W177-L228 HydrophobicContact CZ2-CG 4.4Å; W177-L228 HydrophobicContact CZ3-CD1 4.2Å; W177-F232 HydrophobicContact CE3-CD1 4.47Å; W177-F232 HydrophobicContact CH2-CB 3.37Å; W177-F232 AromaticContact CH2-CD1 3.94Å; W177-F232 HydrophobicContact CH2-CD1 3.94Å; W177-F232 AromaticContact CH2-CG 3.76Å; W177-F232 HydrophobicContact CH2-CG 3.76Å; W177-F232 HydrophobicContact CZ2-CB 4.02Å; W177-F232 HydrophobicContact CZ3-CB 4.04Å; W177-F232 AromaticContact CZ3-CD1 3.67Å; W177-F232 HydrophobicContact CZ3-CD1 3.67Å; W177-F232 HydrophobicContact CZ3-CE1 4.32Å; W177-F232 AromaticContact CZ3-CG 3.91Å; W177-F232 HydrophobicContact CZ3-CG 3.91Å; W177-F251 HydrophobicContact CB-CZ 4.43Å; W177-F251 HydrophobicContact CD2-CE1 4.29Å; W177-F251 AromaticContact CD2-CZ 3.93Å; W177-F251 HydrophobicContact CD2-CZ 3.93Å; W177-F251 HydrophobicContact CE3-CE1 4.34Å; W177-F251 HydrophobicContact CE3-CZ 4.33Å; W177-F251 AromaticContact CG-CZ 3.96Å; W177-F251 HydrophobicContact CG-CZ 3.96Å; W177-A253 HydrophobicContact CD2-CB 4.23Å; W177-A253 HydrophobicContact CH2-CB 4.18Å; W177-A253 HydrophobicContact CZ2-CB 3.26Å; W177-A253 VanDerWaalsContact NE1-CB 3.33Å
178P98.6Very high97Very high0 Ų029.6 Ų29.60%015%0.15CC..BIsolated β-bridgetrans-58.4129161.6-21.934.4000110I181 L215 W223 F251P178-I181 HydrophobicContact CB-CB 4.35Å; P178-I181 VanDerWaalsContact O-CB 3.26Å; P178-I181 WeakPolarHBondContact O-CB 3.28Å; P178-I181 WeakPolarHBondContact O-CG2 3.31Å; P178-I181 PolarHBondContact O-N 3.44Å; P178-L215 HydrophobicContact CB-CB 4.34Å; P178-L215 HydrophobicContact CB-CD2 3.83Å; P178-L215 HydrophobicContact CG-CD2 4.19Å; P178-W223 HydrophobicContact CG-CD2 3.96Å; P178-W223 VanDerWaalsContact CG-CE2 3.41Å; P178-W223 HydrophobicContact CG-CG 4.35Å; P178-W223 HydrophobicContact CG-CH2 4.34Å; P178-W223 HydrophobicContact CG-CZ2 3.64Å; P178-F251 HydrophobicContact CG-CE2 4.24Å
179R98.2Very high97.3Very high29 Ų2933.5 Ų33.511%0.10917%0.17CC..THydrogen-bonded Turntrans-57.5147173.3-175.2177.766.6132.812.3110.7W177 I181 D204 L206 S208 E212W177-R179 PolarHBondContact O-N 3.29Å; R179-I181 PolarHBondContact O-N 3.43Å; R179-I181 VanDerWaalsContact O-N 3.16Å; R179-D204 WeakPolarHBondContact CD-O 3.45Å; R179-D204 IonicContact CZ-OD2 3.83Å; R179-D204 VanDerWaalsContact CZ-OD2 3.27Å; R179-D204 IonicContact NE-OD2 3.78Å; R179-D204 PolarHBondContact NH1-O 2.97Å; R179-D204 VanDerWaalsContact NH1-O 3.16Å; R179-D204 IonicContact NH1-OD2 3.89Å; R179-D204 PolarHBondContact NH1-OD2 2.99Å; R179-D204 IonicContact NH2-OD2 2.73Å; R179-L206 WeakPolarHBondContact CA-O 3.46Å; R179-S208 PolarHBondContact N-O 2.74Å; R179-E212 HydrophobicContact CB-CB 4.17Å; R179-E212 IonicContact CZ-OE2 3.08Å; R179-E212 IonicContact NE-OE2 3.37Å; R179-E212 PolarHBondContact NE-OE2 3.27Å; R179-E212 IonicContact NH2-OE1 3.21Å; R179-E212 IonicContact NH2-OE2 3.72Å; R179-E212 PolarHBondContact NH2-OE2 2.94Å
180G97.5Very high97.3Very high8 Ų833.8 Ų33.88%0.08217%0.171CC..THydrogen-bonded Turntrans75-8.4-178.100000115.4Y182 H183G180-Y182 VanDerWaalsContact N-CE1 3.31Å; G180-Y182 PolarHBondContact O-N 3.35Å; G180-Y182 VanDerWaalsContact O-N 3.07Å; G180-H183 WeakPolarHBondContact O-CB 3.38Å; G180-H183 PolarHBondContact O-N 2.99Å
181I98.1Very high97.3Very high0 Ų034.2 Ų34.20%017%0.174CC..G310 helixtrans-58.8-27.6-177.3-165.156.2000113.3W177 P178 R179 H183 Y184 L215 A234 V236 F251W177-I181 HydrophobicContact CB-CG2 4.19Å; W177-I181 HydrophobicContact CD2-CG2 4.28Å; W177-I181 HydrophobicContact CE3-CG2 3.56Å; W177-I181 HydrophobicContact CZ3-CG2 4.38Å; P178-I181 HydrophobicContact CB-CB 4.35Å; P178-I181 VanDerWaalsContact O-CB 3.26Å; P178-I181 WeakPolarHBondContact O-CB 3.28Å; P178-I181 WeakPolarHBondContact O-CG2 3.31Å; P178-I181 PolarHBondContact O-N 3.44Å; R179-I181 PolarHBondContact O-N 3.43Å; R179-I181 VanDerWaalsContact O-N 3.16Å; I181-H183 PolarHBondContact O-N 3.47Å; I181-H183 VanDerWaalsContact O-N 3.17Å; I181-Y184 HydrophobicContact CD1-CD2 4.37Å; I181-Y184 PolarHBondContact O-N 3.32Å; I181-L215 HydrophobicContact CD1-CD2 3.95Å; I181-A234 HydrophobicContact CD1-CB 4.18Å; I181-A234 HydrophobicContact CG1-CB 4.26Å; I181-V236 HydrophobicContact CD1-CG2 3.35Å; I181-F251 HydrophobicContact CD1-CB 3.82Å; I181-F251 HydrophobicContact CD1-CD1 4.36Å; I181-F251 HydrophobicContact CD1-CD2 4.16Å; I181-F251 HydrophobicContact CD1-CG 3.85Å; I181-F251 HydrophobicContact CG1-CB 3.99Å; I181-F251 HydrophobicContact CG1-CD1 3.58Å; I181-F251 HydrophobicContact CG1-CD2 3.73Å; I181-F251 HydrophobicContact CG1-CE1 3.93Å; I181-F251 HydrophobicContact CG1-CE2 4.07Å; I181-F251 HydrophobicContact CG1-CG 3.46Å; I181-F251 VanDerWaalsContact CG1-CG 3.46Å; I181-F251 HydrophobicContact CG1-CZ 4.15Å; I181-F251 HydrophobicContact CG2-CE1 4.18Å; I181-F251 HydrophobicContact CG2-CZ 4.13Å
182Y96.7Very high97.1Very high1 Ų142.8 Ų42.80%0.00421%0.207CC..G310 helixtrans-60.7-20175.545-96.1000114.1G180 Y184 L187 I201 D204 L206G180-Y182 VanDerWaalsContact N-CE1 3.31Å; G180-Y182 PolarHBondContact O-N 3.35Å; G180-Y182 VanDerWaalsContact O-N 3.07Å; Y182-Y184 VanDerWaalsContact C-N 3.31Å; Y182-L187 HydrophobicContact CD2-CD1 4.05Å; Y182-L187 HydrophobicContact CG-CD1 4.38Å; Y182-I201 HydrophobicContact CD1-CG1 4.41Å; Y182-I201 HydrophobicContact CD2-CB 4.49Å; Y182-I201 HydrophobicContact CD2-CG1 3.97Å; Y182-I201 HydrophobicContact CD2-CG2 4.01Å; Y182-I201 HydrophobicContact CE2-CB 4.28Å; Y182-I201 HydrophobicContact CE2-CG1 4.1Å; Y182-I201 HydrophobicContact CE2-CG2 3.9Å; Y182-I201 HydrophobicContact CG-CG1 4.13Å; Y182-D204 PolarHBondContact OH-OD1 2.99Å; Y182-L206 HydrophobicContact CD1-CB 4.29Å; Y182-L206 HydrophobicContact CD1-CD2 3.83Å; Y182-L206 HydrophobicContact CD1-CG 4.35Å; Y182-L206 HydrophobicContact CE1-CB 3.74Å; Y182-L206 HydrophobicContact CE1-CD2 4.15Å; Y182-L206 HydrophobicContact CE1-CG 4.27Å; Y182-L206 WeakPolarHBondContact CE1-O 3.47Å
183H96.7Very high96.8Very high114 Ų11446 Ų4653%0.52822%0.218SC..G310 helixtrans-75-17.4173.2-66.8-54.1000114.1G180 I181G180-H183 WeakPolarHBondContact O-CB 3.38Å; G180-H183 PolarHBondContact O-N 2.99Å; I181-H183 PolarHBondContact O-N 3.47Å; I181-H183 VanDerWaalsContact O-N 3.17Å
184Y97.6Very high96.6Very high116 Ų11646.9 Ų46.946%0.45522%0.222SC..G310 helixtrans-998.4-176.1-62.8-89.4000113.4I181 Y182 A234 L235 V236I181-Y184 HydrophobicContact CD1-CD2 4.37Å; I181-Y184 PolarHBondContact O-N 3.32Å; Y182-Y184 VanDerWaalsContact C-N 3.31Å; Y184-A234 VanDerWaalsContact C-CB 3.46Å; Y184-A234 VanDerWaalsContact O-CA 3.25Å; Y184-A234 WeakPolarHBondContact O-CA 3.48Å; Y184-A234 VanDerWaalsContact O-CB 3.28Å; Y184-A234 WeakPolarHBondContact O-CB 3.35Å; Y184-L235 PolarHBondContact O-N 3.19Å; Y184-V236 HydrophobicContact CD1-CB 4.25Å; Y184-V236 HydrophobicContact CD1-CG1 4.17Å; Y184-V236 HydrophobicContact CD1-CG2 4.13Å; Y184-V236 HydrophobicContact CD2-CG2 4.19Å; Y184-V236 HydrophobicContact CE1-CG1 3.97Å; Y184-V236 HydrophobicContact CG-CB 4.48Å; Y184-V236 HydrophobicContact CG-CG2 3.86Å
185G96.8Very high96.3Very high28 Ų2849.4 Ų49.429%0.28924%0.239SC..BIsolated β-bridgetrans-141.1-163178.800000112.3L187 S233G185-L187 PolarHBondContact O-N 2.9Å; G185-S233 WeakPolarHBondContact CA-O 3.44Å
186N97.2Very high95.9Very high80 Ų8056 Ų5643%0.42827%0.27SS..  trans-81.879.7-175.2-168.5-11000112.6N188 Q189 L190N186-N188 PolarHBondContact O-N 3.17Å; N186-N188 PolarHBondContact OD1-N 2.97Å; N186-Q189 HydrophobicContact CB-CB 3.93Å; N186-Q189 VanDerWaalsContact CG-CB 3.41Å; N186-Q189 WeakPolarHBondContact ND2-CB 3.2Å; N186-Q189 PolarHBondContact ND2-OE1 2.94Å; N186-Q189 VanDerWaalsContact ND2-OE1 3.13Å; N186-Q189 WeakPolarHBondContact O-CB 3.07Å; N186-Q189 PolarHBondContact O-N 3.45Å; N186-Q189 PolarHBondContact OD1-N 3.43Å; N186-Q189 VanDerWaalsContact OD1-N 3.12Å; N186-L190 PolarHBondContact O-N 3.05Å
187L94.8Very high95.8Very high52 Ų5256.2 Ų56.227%0.27227%0.27SS..Hα-helixtrans-54-34.8179.2-168.865.1000113.7Y182 G185 T191 I201Y182-L187 HydrophobicContact CD2-CD1 4.05Å; Y182-L187 HydrophobicContact CG-CD1 4.38Å; G185-L187 PolarHBondContact O-N 2.9Å; L187-T191 HydrophobicContact CD1-CG2 4.49Å; L187-T191 WeakPolarHBondContact O-CB 3.46Å; L187-T191 WeakPolarHBondContact O-CG2 3.24Å; L187-T191 PolarHBondContact O-N 3.39Å; L187-T191 PolarHBondContact O-OG1 3.01Å; L187-I201 HydrophobicContact CD1-CD1 3.84Å; L187-I201 HydrophobicContact CD1-CG1 4.49Å; L187-I201 HydrophobicContact CD1-CG2 4.14Å
188N95.4Very high95.5Very high123 Ų12360.8 Ų60.866%0.65829%0.287SS*.Hα-helixtrans-69.6-35.5177.6-70.7-39.8000112.2N186 R192N186-N188 PolarHBondContact O-N 3.17Å; N186-N188 PolarHBondContact OD1-N 2.97Å; N188-R192 WeakPolarHBondContact O-CB 3.21Å; N188-R192 WeakPolarHBondContact O-CG 3.46Å; N188-R192 PolarHBondContact O-N 3.08Å
189Q95.4Very high95.3Very high124 Ų12466.6 Ų66.658%0.57932%0.318SS*.Hα-helixtrans-73-43.3173.9-178.4176.6800111.1N186 R192 R193N186-Q189 HydrophobicContact CB-CB 3.93Å; N186-Q189 VanDerWaalsContact CG-CB 3.41Å; N186-Q189 WeakPolarHBondContact ND2-CB 3.2Å; N186-Q189 PolarHBondContact ND2-OE1 2.94Å; N186-Q189 VanDerWaalsContact ND2-OE1 3.13Å; N186-Q189 WeakPolarHBondContact O-CB 3.07Å; N186-Q189 PolarHBondContact O-N 3.45Å; N186-Q189 PolarHBondContact OD1-N 3.43Å; N186-Q189 VanDerWaalsContact OD1-N 3.12Å; Q189-R192 PolarHBondContact O-N 2.71Å; Q189-R193 PolarHBondContact O-N 3.21Å
190L95.5Very high95.1Very high7 Ų768.8 Ų68.84%0.03733%0.33CS..Hα-helixtrans-57.6-53.6177.2-178.761.2000111.4W177 N186 R192 R193 K194 F197 F232W177-L190 HydrophobicContact CH2-CD1 4.09Å; W177-L190 HydrophobicContact CZ3-CD2 4.15Å; N186-L190 PolarHBondContact O-N 3.05Å; L190-R192 PolarHBondContact O-N 3.2Å; L190-R193 PolarHBondContact O-N 2.87Å; L190-K194 PolarHBondContact O-N 3.45Å; L190-F197 HydrophobicContact CD1-CD2 3.99Å; L190-F197 HydrophobicContact CD1-CE2 4.08Å; L190-F197 HydrophobicContact CG-CD2 4.19Å; L190-F232 HydrophobicContact CB-CD2 4Å; L190-F232 HydrophobicContact CB-CE2 3.93Å; L190-F232 HydrophobicContact CD1-CD2 4.11Å; L190-F232 HydrophobicContact CD2-CD2 4.09Å; L190-F232 HydrophobicContact CD2-CE2 3.97Å; L190-F232 HydrophobicContact CD2-CZ 4.38Å; L190-F232 HydrophobicContact CG-CD2 4.29Å; L190-F232 HydrophobicContact CG-CE2 4.43Å
191T94.4Very high95Very high17 Ų1769.4 Ų69.410%0.10433%0.331CS..Hα-helixtrans-71.1-14.2179.357.40000114L187 P195 R198 I201L187-T191 HydrophobicContact CD1-CG2 4.49Å; L187-T191 WeakPolarHBondContact O-CB 3.46Å; L187-T191 WeakPolarHBondContact O-CG2 3.24Å; L187-T191 PolarHBondContact O-N 3.39Å; L187-T191 PolarHBondContact O-OG1 3.01Å; T191-P195 WeakPolarHBondContact O-CA 3.45Å; T191-R198 HydrophobicContact CG2-CG 3.89Å; T191-R198 PolarHBondContact O-NH1 3.3Å; T191-R198 PolarHBondContact O-NH2 3.24Å; T191-I201 HydrophobicContact CG2-CD1 3.69Å
192R94.7Very high94.8Very high180 Ų18077 Ų7768%0.67937%0.366SS*.Hα-helixtrans-77.9-44.7166.9-82.4177.464.9-164.1-3.8111.9N188 Q189 L190N188-R192 WeakPolarHBondContact O-CB 3.21Å; N188-R192 WeakPolarHBondContact O-CG 3.46Å; N188-R192 PolarHBondContact O-N 3.08Å; Q189-R192 PolarHBondContact O-N 2.71Å; L190-R192 PolarHBondContact O-N 3.2Å
193R92.1Very high94.7Very high66 Ų6680.4 Ų80.425%0.24939%0.39CS..Hα-helixtrans-74.5-38.1179.6-175.6175.1173.4105-11.1112.7Q189 L190 D255 D576Q189-R193 PolarHBondContact O-N 3.21Å; L190-R193 PolarHBondContact O-N 2.87Å; R193-D255 IonicContact CZ-OD2 2.81Å; R193-D255 IonicContact NH2-OD2 2.68Å; R193-D255 PolarHBondContact NH2-OD2 2.75Å; R193-D576 IonicContact NH1-OD2 2.64Å
194K94Very high94.6Very high19 Ų1977.9 Ų77.98%0.08338%0.381CS..  trans-123.483.6175-68-63.1-168-1720110.2L190 H196 F197 H229 C230 D571L190-K194 PolarHBondContact O-N 3.45Å; K194-H196 PolarHBondContact O-N 3.04Å; K194-H196 VanDerWaalsContact O-N 3.15Å; K194-F197 HydrophobicContact CB-CD1 4.37Å; K194-F197 HydrophobicContact CB-CD2 3.51Å; K194-F197 HydrophobicContact CB-CE1 4.35Å; K194-F197 HydrophobicContact CB-CE2 3.5Å; K194-F197 VanDerWaalsContact CB-CE2 3.5Å; K194-F197 HydrophobicContact CB-CG 3.96Å; K194-F197 HydrophobicContact CB-CZ 3.92Å; K194-F197 HydrophobicContact CG-CD2 4.23Å; K194-F197 HydrophobicContact CG-CE2 3.68Å; K194-F197 HydrophobicContact CG-CZ 3.89Å; K194-F197 PolarHBondContact O-N 3.41Å; K194-H229 VanDerWaalsContact CE-O 3.24Å; K194-H229 WeakPolarHBondContact CE-O 3.46Å; K194-C230 HydrophobicContact CG-CB 4.24Å; K194-D571 IonicContact NZ-OD2 2.82Å; K194-D571 PolarHBondContact NZ-OD2 3.35Å
195P93.8Very high94.5Very high60 Ų6075.3 Ų75.339%0.3938%0.38SS..THydrogen-bonded Turntrans-55.8-29-178.8-31.639000116T191 R198T191-P195 WeakPolarHBondContact O-CA 3.45Å; P195-R198 VanDerWaalsContact CA-NH1 3.27Å; P195-R198 PolarHBondContact O-NH1 2.73Å
196H91Very high94.5Very high139 Ų13974 Ų7464%0.64437%0.366SS*.THydrogen-bonded Turntrans-70.1-30.2-175-59.2-71.8000113.1K194 R198K194-H196 PolarHBondContact O-N 3.04Å; K194-H196 VanDerWaalsContact O-N 3.15Å; H196-R198 PolarHBondContact O-N 3.24Å
197F94.2Very high94.4Very high16 Ų1670.9 Ų70.97%0.0735%0.353CS..Hα-helixtrans-62.4-16179.6-65.6-12.5000114L190 K194 N199 E200 I201 L206 L228L190-F197 HydrophobicContact CD1-CD2 3.99Å; L190-F197 HydrophobicContact CD1-CE2 4.08Å; L190-F197 HydrophobicContact CG-CD2 4.19Å; K194-F197 HydrophobicContact CB-CD1 4.37Å; K194-F197 HydrophobicContact CB-CD2 3.51Å; K194-F197 HydrophobicContact CB-CE1 4.35Å; K194-F197 HydrophobicContact CB-CE2 3.5Å; K194-F197 VanDerWaalsContact CB-CE2 3.5Å; K194-F197 HydrophobicContact CB-CG 3.96Å; K194-F197 HydrophobicContact CB-CZ 3.92Å; K194-F197 HydrophobicContact CG-CD2 4.23Å; K194-F197 HydrophobicContact CG-CE2 3.68Å; K194-F197 HydrophobicContact CG-CZ 3.89Å; K194-F197 PolarHBondContact O-N 3.41Å; F197-N199 VanDerWaalsContact C-N 3.28Å; F197-N199 PolarHBondContact O-N 3.4Å; F197-E200 PolarHBondContact O-N 3.47Å; F197-I201 HydrophobicContact CB-CD1 3.82Å; F197-I201 HydrophobicContact CB-CG1 4.48Å; F197-I201 WeakPolarHBondContact O-CB 3.41Å; F197-I201 WeakPolarHBondContact O-CD1 3.13Å; F197-I201 VanDerWaalsContact O-CG1 3.23Å; F197-I201 WeakPolarHBondContact O-CG1 3.32Å; F197-I201 PolarHBondContact O-N 3.45Å; F197-L206 HydrophobicContact CB-CD2 4.11Å; F197-L206 HydrophobicContact CD1-CD1 4.04Å; F197-L206 HydrophobicContact CD2-CD2 4.14Å; F197-L206 HydrophobicContact CE1-CD1 4.37Å; F197-L206 HydrophobicContact CG-CD1 4.25Å; F197-L206 HydrophobicContact CG-CD2 4.09Å; F197-L228 HydrophobicContact CE2-CB 4.27Å; F197-L228 HydrophobicContact CE2-CD1 4.29Å; F197-L228 HydrophobicContact CZ-CB 3.86Å; F197-L228 HydrophobicContact CZ-CD1 4.23Å; F197-L228 HydrophobicContact CZ-CD2 4.37Å; F197-L228 HydrophobicContact CZ-CG 4.39Å
198R93.2Very high94.6Very high98 Ų9868.5 Ų68.537%0.3734%0.341SS..Hα-helixtrans-52.8-45.6179.5-73.7-171.1-172.880.67.4112.5T191 P195 H196 E200 I201 E202T191-R198 HydrophobicContact CG2-CG 3.89Å; T191-R198 PolarHBondContact O-NH1 3.3Å; T191-R198 PolarHBondContact O-NH2 3.24Å; P195-R198 VanDerWaalsContact CA-NH1 3.27Å; P195-R198 PolarHBondContact O-NH1 2.73Å; H196-R198 PolarHBondContact O-N 3.24Å; R198-E200 PolarHBondContact O-N 2.94Å; R198-I201 PolarHBondContact O-N 2.97Å; R198-E202 VanDerWaalsContact O-CB 3.31Å; R198-E202 WeakPolarHBondContact O-CB 3.36Å; R198-E202 VanDerWaalsContact O-CG 3.25Å; R198-E202 WeakPolarHBondContact O-CG 3.4Å; R198-E202 PolarHBondContact O-N 3.4Å
199N94Very high94.7Very high121 Ų12164.2 Ų64.265%0.64732%0.319SS*.Hα-helixtrans-64.2-43.6-177.9-64.6-9.7000111.1F197 E202 S203F197-N199 VanDerWaalsContact C-N 3.28Å; F197-N199 PolarHBondContact O-N 3.4Å; N199-E202 PolarHBondContact O-N 3.07Å; N199-S203 WeakPolarHBondContact O-CB 3.18Å; N199-S203 PolarHBondContact O-N 3.33Å; N199-S203 PolarHBondContact O-OG 3.01Å
200E93.9Very high94.9Very high76 Ų7658.5 Ų58.536%0.35529%0.293SS..Hα-helixtrans-73-30.3-178.3-63.9169.9-122.300112.7F197 R198 S203 D204 S205 L206F197-E200 PolarHBondContact O-N 3.47Å; R198-E200 PolarHBondContact O-N 2.94Å; E200-S203 WeakPolarHBondContact CA-OG 3.45Å; E200-D204 PolarHBondContact O-N 3.22Å; E200-S205 PolarHBondContact O-N 3.23Å; E200-S205 PolarHBondContact O-OG 3.32Å; E200-L206 HydrophobicContact CB-CB 3.81Å; E200-L206 HydrophobicContact CB-CD1 4.17Å; E200-L206 PolarHBondContact O-N 3.47Å; E200-L206 VanDerWaalsContact OE2-CD1 3.29Å; E200-L206 WeakPolarHBondContact OE2-CD1 3.24Å
201I94.5Very high95Very high21 Ų2158.3 Ų58.311%0.10829%0.292CS..Hα-helixtrans-68.9-45.4169.9-71.1160.7000110.3Y182 L187 T191 F197 R198 S203 D204 L206Y182-I201 HydrophobicContact CD1-CG1 4.41Å; Y182-I201 HydrophobicContact CD2-CB 4.49Å; Y182-I201 HydrophobicContact CD2-CG1 3.97Å; Y182-I201 HydrophobicContact CD2-CG2 4.01Å; Y182-I201 HydrophobicContact CE2-CB 4.28Å; Y182-I201 HydrophobicContact CE2-CG1 4.1Å; Y182-I201 HydrophobicContact CE2-CG2 3.9Å; Y182-I201 HydrophobicContact CG-CG1 4.13Å; L187-I201 HydrophobicContact CD1-CD1 3.84Å; L187-I201 HydrophobicContact CD1-CG1 4.49Å; L187-I201 HydrophobicContact CD1-CG2 4.14Å; T191-I201 HydrophobicContact CG2-CD1 3.69Å; F197-I201 HydrophobicContact CB-CD1 3.82Å; F197-I201 HydrophobicContact CB-CG1 4.48Å; F197-I201 WeakPolarHBondContact O-CB 3.41Å; F197-I201 WeakPolarHBondContact O-CD1 3.13Å; F197-I201 VanDerWaalsContact O-CG1 3.23Å; F197-I201 WeakPolarHBondContact O-CG1 3.32Å; F197-I201 PolarHBondContact O-N 3.45Å; R198-I201 PolarHBondContact O-N 2.97Å; I201-S203 VanDerWaalsContact C-N 3.31Å; I201-S203 PolarHBondContact O-N 3.21Å; I201-D204 PolarHBondContact O-N 2.9Å; I201-L206 HydrophobicContact CD1-CD2 4.16Å; I201-L206 HydrophobicContact CG1-CB 4.49Å; I201-L206 HydrophobicContact CG1-CD2 3.77Å
202E94.5Very high95.2Very high158 Ų15859.5 Ų59.574%0.73830%0.297SS*.Hα-helixtrans-67.9-29.1179.2-75.7173.3-15900112.8R198 N199R198-E202 VanDerWaalsContact O-CB 3.31Å; R198-E202 WeakPolarHBondContact O-CB 3.36Å; R198-E202 VanDerWaalsContact O-CG 3.25Å; R198-E202 WeakPolarHBondContact O-CG 3.4Å; R198-E202 PolarHBondContact O-N 3.4Å; N199-E202 PolarHBondContact O-N 3.07Å
203S95.7Very high95.4Very high74 Ų7456.1 Ų56.152%0.51729%0.289SS..THydrogen-bonded Turntrans-93.33.817560.40000115N199 E200 I201 S205N199-S203 WeakPolarHBondContact O-CB 3.18Å; N199-S203 PolarHBondContact O-N 3.33Å; N199-S203 PolarHBondContact O-OG 3.01Å; E200-S203 WeakPolarHBondContact CA-OG 3.45Å; I201-S203 VanDerWaalsContact C-N 3.31Å; I201-S203 PolarHBondContact O-N 3.21Å; S203-S205 VanDerWaalsContact C-N 3.31Å; S203-S205 PolarHBondContact O-N 3.47Å; S203-S205 PolarHBondContact OG-OG 3Å
204D94.3Very high95.7Very high60 Ų6053 Ų5332%0.32128%0.277SS..THydrogen-bonded Turntrans49.848.8-176.8-16648.1000113.4R179 Y182 E200 I201R179-D204 WeakPolarHBondContact CD-O 3.45Å; R179-D204 IonicContact CZ-OD2 3.83Å; R179-D204 VanDerWaalsContact CZ-OD2 3.27Å; R179-D204 IonicContact NE-OD2 3.78Å; R179-D204 PolarHBondContact NH1-O 2.97Å; R179-D204 VanDerWaalsContact NH1-O 3.16Å; R179-D204 IonicContact NH1-OD2 3.89Å; R179-D204 PolarHBondContact NH1-OD2 2.99Å; R179-D204 IonicContact NH2-OD2 2.73Å; Y182-D204 PolarHBondContact OH-OD1 2.99Å; E200-D204 PolarHBondContact O-N 3.22Å; I201-D204 PolarHBondContact O-N 2.9Å
205S95.1Very high95.8Very high62 Ų6252.4 Ų52.443%0.43428%0.275SS..  trans-127.5-1.8-177.166.10000114.4E200 S203 G207E200-S205 PolarHBondContact O-N 3.23Å; E200-S205 PolarHBondContact O-OG 3.32Å; S203-S205 VanDerWaalsContact C-N 3.31Å; S203-S205 PolarHBondContact O-N 3.47Å; S203-S205 PolarHBondContact OG-OG 3Å; S205-G207 PolarHBondContact O-N 2.96Å
206L96Very high95.9Very high2 Ų252.9 Ų52.91%0.0128%0.278CS..SBendtrans-74.8115.6176.7-17468.3000110.4R179 Y182 F197 E200 I201 L228R179-L206 WeakPolarHBondContact CA-O 3.46Å; Y182-L206 HydrophobicContact CD1-CB 4.29Å; Y182-L206 HydrophobicContact CD1-CD2 3.83Å; Y182-L206 HydrophobicContact CD1-CG 4.35Å; Y182-L206 HydrophobicContact CE1-CB 3.74Å; Y182-L206 HydrophobicContact CE1-CD2 4.15Å; Y182-L206 HydrophobicContact CE1-CG 4.27Å; Y182-L206 WeakPolarHBondContact CE1-O 3.47Å; F197-L206 HydrophobicContact CB-CD2 4.11Å; F197-L206 HydrophobicContact CD1-CD1 4.04Å; F197-L206 HydrophobicContact CD2-CD2 4.14Å; F197-L206 HydrophobicContact CE1-CD1 4.37Å; F197-L206 HydrophobicContact CG-CD1 4.25Å; F197-L206 HydrophobicContact CG-CD2 4.09Å; E200-L206 HydrophobicContact CB-CB 3.81Å; E200-L206 HydrophobicContact CB-CD1 4.17Å; E200-L206 PolarHBondContact O-N 3.47Å; E200-L206 VanDerWaalsContact OE2-CD1 3.29Å; E200-L206 WeakPolarHBondContact OE2-CD1 3.24Å; I201-L206 HydrophobicContact CD1-CD2 4.16Å; I201-L206 HydrophobicContact CG1-CB 4.49Å; I201-L206 HydrophobicContact CG1-CD2 3.77Å; L206-L228 HydrophobicContact CD1-CD1 3.77Å; L206-L228 HydrophobicContact CD1-CD2 4.34Å; L206-L228 HydrophobicContact CD2-CD1 4.27Å; L206-L228 HydrophobicContact CG-CD1 4.02Å
207G96.9Very high96Very high14 Ų1449.4 Ų49.414%0.14426%0.26CS..SBendtrans86.3-172.5179.300000114.9D176 W177 S205 P209D176-G207 WeakPolarHBondContact OD1-CA 3.4Å; W177-G207 CarbonylContact O-C 3.57Å; S205-G207 PolarHBondContact O-N 2.96Å; G207-P209 WeakPolarHBondContact O-CD 3.27Å
208S98.1Very high96Very high2 Ų248.7 Ų48.71%0.01426%0.257CS..BIsolated β-bridgetrans-91.1115.4-169.5177.90000113.1D176 W177 R179 P210 G211 E212D176-S208 WeakPolarHBondContact OD2-CB 3.3Å; W177-S208 WeakPolarHBondContact O-CB 3.35Å; W177-S208 PolarHBondContact O-N 3.13Å; R179-S208 PolarHBondContact N-O 2.74Å; S208-P210 WeakPolarHBondContact OG-CD 3.49Å; S208-G211 WeakPolarHBondContact O-CA 3.45Å; S208-G211 PolarHBondContact O-N 3.15Å; S208-G211 VanDerWaalsContact O-N 3.09Å; S208-G211 PolarHBondContact OG-N 3.12Å; S208-E212 PolarHBondContact O-N 3.19Å
209P98.5Very high96.1Very high33 Ų3345 Ų4521%0.21424%0.243CC..Hα-helixtrans-60.1-37168.6-16.727.5000113.6Y128 G207 G211 E212 Q213Y128-P209 VanDerWaalsContact CD1-CD 3.46Å; Y128-P209 HydrophobicContact CD1-CG 4.21Å; Y128-P209 HydrophobicContact CE1-CG 3.88Å; G207-P209 WeakPolarHBondContact O-CD 3.27Å; P209-G211 VanDerWaalsContact C-N 3.29Å; P209-G211 PolarHBondContact O-N 3.36Å; P209-E212 WeakPolarHBondContact O-CB 3.42Å; P209-E212 PolarHBondContact O-N 3.41Å; P209-Q213 PolarHBondContact O-N 2.96Å
210P98.3Very high96.2Very high4 Ų439.3 Ų39.33%0.02621%0.213CC..Hα-helixtrans-62.8-33.2169.3-26.536.3000113.9Y128 Y133 V159 S208 Q213 L214Y128-P210 VanDerWaalsContact CD2-CD 3.44Å; Y128-P210 HydrophobicContact CD2-CG 3.49Å; Y128-P210 VanDerWaalsContact CD2-CG 3.49Å; Y128-P210 HydrophobicContact CE2-CG 3.54Å; Y128-P210 HydrophobicContact CG-CG 4.42Å; Y133-P210 HydrophobicContact CD2-CG 4.02Å; Y133-P210 HydrophobicContact CE1-CG 4.18Å; Y133-P210 HydrophobicContact CE2-CB 3.96Å; Y133-P210 HydrophobicContact CE2-CG 3.42Å; Y133-P210 VanDerWaalsContact CE2-CG 3.42Å; V159-P210 HydrophobicContact CB-CB 4.49Å; V159-P210 HydrophobicContact CG1-CB 4.01Å; V159-P210 HydrophobicContact CG2-CB 3.76Å; S208-P210 WeakPolarHBondContact OG-CD 3.49Å; P210-Q213 PolarHBondContact O-N 3.46Å; P210-L214 WeakPolarHBondContact O-CG 3.11Å; P210-L214 PolarHBondContact O-N 3.41Å
211G98.5Very high96.3Very high2 Ų237.2 Ų37.22%0.02120%0.202CC..Hα-helixtrans-63-42.6171.500000112.2S208 P209 L214 L215 W223S208-G211 WeakPolarHBondContact O-CA 3.45Å; S208-G211 PolarHBondContact O-N 3.15Å; S208-G211 VanDerWaalsContact O-N 3.09Å; S208-G211 PolarHBondContact OG-N 3.12Å; P209-G211 VanDerWaalsContact C-N 3.29Å; P209-G211 PolarHBondContact O-N 3.36Å; G211-L214 PolarHBondContact O-N 2.85Å; G211-L215 VanDerWaalsContact O-CB 3.29Å; G211-L215 WeakPolarHBondContact O-CB 3.49Å; G211-L215 PolarHBondContact O-N 3.3Å; G211-W223 WeakPolarHBondContact O-CH2 3.43Å
212E98.4Very high96.5Very high43 Ų4338.2 Ų38.220%0.20120%0.204CC..Hα-helixtrans-60-46.9172.5-178.2-169176.400111.6R179 S208 P209 L214 L215 C216R179-E212 HydrophobicContact CB-CB 4.17Å; R179-E212 IonicContact CZ-OE2 3.08Å; R179-E212 IonicContact NE-OE2 3.37Å; R179-E212 PolarHBondContact NE-OE2 3.27Å; R179-E212 IonicContact NH2-OE1 3.21Å; R179-E212 IonicContact NH2-OE2 3.72Å; R179-E212 PolarHBondContact NH2-OE2 2.94Å; S208-E212 PolarHBondContact O-N 3.19Å; P209-E212 WeakPolarHBondContact O-CB 3.42Å; P209-E212 PolarHBondContact O-N 3.41Å; E212-L214 PolarHBondContact O-N 2.83Å; E212-L215 PolarHBondContact O-N 2.69Å; E212-C216 WeakPolarHBondContact O-CB 3.14Å; E212-C216 PolarHBondContact O-N 2.91Å; E212-C216 PolarHBondContact O-SG 2.86Å; E212-C216 VanDerWaalsContact O-SG 3.35Å
213Q97.5Very high96.7Very high109 Ų10930.7 Ų30.751%0.50917%0.169SC..Hα-helixtrans-56.9-48.3176.9-176.4-175.86.900111.6P209 P210 C216 R217P209-Q213 PolarHBondContact O-N 2.96Å; P210-Q213 PolarHBondContact O-N 3.46Å; Q213-C216 PolarHBondContact O-N 3.08Å; Q213-R217 VanDerWaalsContact O-CB 3.25Å; Q213-R217 WeakPolarHBondContact O-CB 3.48Å; Q213-R217 PolarHBondContact O-N 2.96Å
214L98.3Very high96.8Very high1 Ų127.2 Ų27.21%0.00515%0.145CC..Hα-helixtrans-68.1-39.1179.2-73.4174000112.7L124 V159 L162 P210 G211 E212 C216 R217 L218 W223L124-L214 HydrophobicContact CD2-CD1 3.62Å; V159-L214 HydrophobicContact CB-CD1 4.46Å; V159-L214 HydrophobicContact CG1-CD1 4.08Å; V159-L214 HydrophobicContact CG1-CD2 4.24Å; V159-L214 HydrophobicContact CG1-CG 3.99Å; V159-L214 HydrophobicContact CG2-CD1 4.28Å; L162-L214 HydrophobicContact CB-CD1 4.28Å; L162-L214 HydrophobicContact CB-CD2 3.75Å; L162-L214 HydrophobicContact CD1-CD1 3.98Å; P210-L214 WeakPolarHBondContact O-CG 3.11Å; P210-L214 PolarHBondContact O-N 3.41Å; G211-L214 PolarHBondContact O-N 2.85Å; E212-L214 PolarHBondContact O-N 2.83Å; L214-C216 PolarHBondContact O-N 3.02Å; L214-R217 PolarHBondContact O-N 2.88Å; L214-L218 HydrophobicContact CB-CD1 4.49Å; L214-L218 HydrophobicContact CD2-CD1 3.9Å; L214-L218 HydrophobicContact CD2-CG 4.37Å; L214-L218 VanDerWaalsContact O-CB 3.29Å; L214-L218 WeakPolarHBondContact O-CB 3.36Å; L214-L218 PolarHBondContact O-N 3.07Å; L214-W223 HydrophobicContact CB-CH2 3.81Å; L214-W223 HydrophobicContact CB-CZ3 4.21Å
215L97.8Very high97Very high6 Ų624.4 Ų24.43%0.03113%0.13CC..Hα-helixtrans-58.2-48.6174.4173.763.3000110.9P178 I181 G211 E212 K219 W223 V236 H238 T249P178-L215 HydrophobicContact CB-CB 4.34Å; P178-L215 HydrophobicContact CB-CD2 3.83Å; P178-L215 HydrophobicContact CG-CD2 4.19Å; I181-L215 HydrophobicContact CD1-CD2 3.95Å; G211-L215 VanDerWaalsContact O-CB 3.29Å; G211-L215 WeakPolarHBondContact O-CB 3.49Å; G211-L215 PolarHBondContact O-N 3.3Å; E212-L215 PolarHBondContact O-N 2.69Å; L215-K219 PolarHBondContact O-N 3.23Å; L215-K219 VanDerWaalsContact O-N 3.16Å; L215-W223 VanDerWaalsContact CA-CZ3 3.46Å; L215-W223 HydrophobicContact CB-CE3 4.03Å; L215-W223 HydrophobicContact CB-CH2 4.28Å; L215-W223 HydrophobicContact CB-CZ3 3.74Å; L215-W223 HydrophobicContact CD1-CD2 4.44Å; L215-W223 HydrophobicContact CD1-CE3 3.81Å; L215-W223 HydrophobicContact CD1-CZ3 4.36Å; L215-V236 HydrophobicContact CD2-CG2 4.24Å; L215-H238 PolarHBondContact O-CE1 2.79Å; L215-T249 HydrophobicContact CD1-CG2 3.85Å
216C94.8Very high97.1Very high69 Ų6921.4 Ų21.447%0.46611%0.109SC..Hα-helixtrans-65.7-35.8177.2-70.70000113E212 Q213 L214 K219E212-C216 WeakPolarHBondContact O-CB 3.14Å; E212-C216 PolarHBondContact O-N 2.91Å; E212-C216 PolarHBondContact O-SG 2.86Å; E212-C216 VanDerWaalsContact O-SG 3.35Å; Q213-C216 PolarHBondContact O-N 3.08Å; L214-C216 PolarHBondContact O-N 3.02Å; C216-K219 WeakPolarHBondContact O-CE 3.47Å; C216-K219 WeakPolarHBondContact O-CG 3.26Å
217R93.8Very high97.2Very high66 Ų6622.9 Ų22.925%0.24912%0.115CC..Hα-helixtrans-84.5-37.4-176.3173.156.5-172.472.313.7114.1G163 I165 Q213 L214G163-R217 VanDerWaalsContact O-CZ 3.22Å; G163-R217 PolarHBondContact O-NE 3.39Å; G163-R217 PolarHBondContact O-NH2 2.96Å; I165-R217 PolarHBondContact O-NH1 2.99Å; I165-R217 VanDerWaalsContact O-NH1 3.07Å; I165-R217 PolarHBondContact O-NH2 3.03Å; Q213-R217 VanDerWaalsContact O-CB 3.25Å; Q213-R217 WeakPolarHBondContact O-CB 3.48Å; Q213-R217 PolarHBondContact O-N 2.96Å; L214-R217 PolarHBondContact O-N 2.88Å
218L94.6Very high97.1Very high1 Ų122.9 Ų22.91%0.00511%0.112CC..Hα-helixtrans-99.3-25.9-171.4-60.6-177.6000113.8L162 I165 L169 L172 L214 N281L162-L218 HydrophobicContact CB-CD1 4.32Å; L162-L218 WeakPolarHBondContact O-CD2 3.5Å; I165-L218 HydrophobicContact CB-CD2 3.95Å; I165-L218 HydrophobicContact CG2-CD2 4.37Å; L169-L218 HydrophobicContact CD1-CD1 4Å; L172-L218 HydrophobicContact CD1-CD1 3.91Å; L214-L218 HydrophobicContact CB-CD1 4.49Å; L214-L218 HydrophobicContact CD2-CD1 3.9Å; L214-L218 HydrophobicContact CD2-CG 4.37Å; L214-L218 VanDerWaalsContact O-CB 3.29Å; L214-L218 WeakPolarHBondContact O-CB 3.36Å; L214-L218 PolarHBondContact O-N 3.07Å; L218-N281 PolarHBondContact O-ND2 3.38Å
219K94.2Very high96.9Very high22 Ų2223.5 Ų23.510%0.09612%0.115CC..  trans50.148.7171.1-48.3173.1-178.5165.70112.7L215 C216 H238 D283L215-K219 PolarHBondContact O-N 3.23Å; L215-K219 VanDerWaalsContact O-N 3.16Å; C216-K219 WeakPolarHBondContact O-CE 3.47Å; C216-K219 WeakPolarHBondContact O-CG 3.26Å; K219-H238 HydrophobicContact CD-CB 4.14Å; K219-H238 HydrophobicContact CG-CB 4.34Å; K219-D283 IonicContact NZ-OD1 2.76Å; K219-D283 IonicContact NZ-OD2 3.61Å; K219-D283 PolarHBondContact NZ-OD2 3.25Å
220P96Very high96.8Very high0 Ų022 Ų220%011%0.105CC..  trans-66.1163.6-17530.7-36.5000111.5L169 L172 W223 T249L169-P220 HydrophobicContact CB-CB 4.12Å; L169-P220 VanDerWaalsContact O-CA 3.29Å; L169-P220 WeakPolarHBondContact O-CA 3.43Å; L172-P220 HydrophobicContact CB-CB 4.38Å; L172-P220 HydrophobicContact CB-CG 4.12Å; P220-W223 HydrophobicContact CG-CE3 3.85Å; P220-T249 HydrophobicContact CG-CG2 4.08Å; P220-T249 WeakPolarHBondContact O-CA 3.32Å; P220-T249 VanDerWaalsContact O-CB 3.26Å; P220-T249 WeakPolarHBondContact O-CB 3.35Å; P220-T249 WeakPolarHBondContact O-CG2 3.38Å; P220-T249 PolarHBondContact O-OG1 2.84Å
221R95.6Very high96.7Very high33 Ų3324.6 Ų24.613%0.12512%0.116CC..SBendtrans-68.7-37.7176.9-63.5165.468.4-160.53.8111.8R168 L169 D170 H250 E270 E272R168-R221 VanDerWaalsContact CZ-CG 3.47Å; L169-R221 PolarHBondContact O-N 3.45Å; D170-R221 WeakPolarHBondContact O-CB 3.4Å; D170-R221 PolarHBondContact O-N 3.02Å; D170-R221 WeakPolarHBondContact OD1-CD 3.28Å; D170-R221 IonicContact OD1-CZ 3.35Å; D170-R221 IonicContact OD1-NE 3.77Å; D170-R221 IonicContact OD1-NH1 3.24Å; D170-R221 PolarHBondContact OD1-NH1 2.89Å; R221-H250 PolarHBondContact O-N 2.83Å; R221-H250 PolarHBondContact O-ND1 3.23Å; R221-E270 VanDerWaalsContact CZ-O 3.23Å; R221-E270 PolarHBondContact NH1-O 2.74Å; R221-E270 PolarHBondContact NH2-O 2.83Å; R221-E272 WeakPolarHBondContact CD-OE1 3.44Å; R221-E272 IonicContact CZ-OE1 3.06Å; R221-E272 IonicContact NE-OE1 2.79Å; R221-E272 PolarHBondContact NE-OE1 2.88Å
222Y98.6Very high96.7Very high42 Ų4225 Ų2517%0.16512%0.117CC..EExtended strand (participates in β ladder)trans-131.4144.8178.7-60.2-89.9000110.8D170 L172 F224 H250 I269D170-Y222 PolarHBondContact O-N 3.14Å; L172-Y222 PolarHBondContact N-O 3.02Å; Y222-F224 HydrophobicContact CD1-CE1 4.09Å; Y222-F224 AromaticContact CD1-CZ 3.9Å; Y222-F224 HydrophobicContact CD1-CZ 3.9Å; Y222-F224 HydrophobicContact CG-CE1 4.36Å; Y222-F224 AromaticContact CG-CZ 3.92Å; Y222-F224 HydrophobicContact CG-CZ 3.92Å; Y222-H250 WeakPolarHBondContact CA-O 3.44Å; Y222-H250 HydrophobicContact CD1-CB 3.73Å; Y222-H250 HydrophobicContact CE1-CB 3.97Å; Y222-I269 HydrophobicContact CD2-CD1 4.03Å; Y222-I269 HydrophobicContact CD2-CG2 4.39Å; Y222-I269 HydrophobicContact CE2-CD1 4.1Å; Y222-I269 HydrophobicContact CE2-CG1 4.12Å; Y222-I269 HydrophobicContact CE2-CG2 3.89Å; Y222-I269 HydrophobicContact CG-CD1 4.35Å
223W98.8Very high96.7Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-130.3124.5169.5-170.7-58.1000109L172 S174 P178 G211 L214 L215 P220 S225 T249 H250 F251 L252L172-W223 HydrophobicContact CB-CD2 4.3Å; L172-W223 HydrophobicContact CB-CE3 4.04Å; L172-W223 HydrophobicContact CB-CZ3 4.33Å; L172-W223 HydrophobicContact CD1-CE3 4.28Å; L172-W223 HydrophobicContact CD1-CH2 3.98Å; L172-W223 HydrophobicContact CD1-CZ3 3.72Å; L172-W223 HydrophobicContact CD2-CD2 4.05Å; L172-W223 HydrophobicContact CD2-CE3 4.12Å; L172-W223 HydrophobicContact CD2-CH2 3.59Å; L172-W223 HydrophobicContact CD2-CZ2 3.49Å; L172-W223 VanDerWaalsContact CD2-CZ2 3.49Å; L172-W223 HydrophobicContact CD2-CZ3 3.89Å; L172-W223 HydrophobicContact CG-CE3 4.34Å; L172-W223 HydrophobicContact CG-CH2 4.32Å; L172-W223 HydrophobicContact CG-CZ3 4.17Å; L172-W223 CarbonylContact O-C 3.57Å; L172-W223 VanDerWaalsContact O-CA 3.31Å; L172-W223 WeakPolarHBondContact O-CA 3.46Å; S174-W223 PolarHBondContact OG-NE1 2.93Å; P178-W223 HydrophobicContact CG-CD2 3.96Å; P178-W223 VanDerWaalsContact CG-CE2 3.41Å; P178-W223 HydrophobicContact CG-CG 4.35Å; P178-W223 HydrophobicContact CG-CH2 4.34Å; P178-W223 HydrophobicContact CG-CZ2 3.64Å; G211-W223 WeakPolarHBondContact O-CH2 3.43Å; L214-W223 HydrophobicContact CB-CH2 3.81Å; L214-W223 HydrophobicContact CB-CZ3 4.21Å; L215-W223 VanDerWaalsContact CA-CZ3 3.46Å; L215-W223 HydrophobicContact CB-CE3 4.03Å; L215-W223 HydrophobicContact CB-CH2 4.28Å; L215-W223 HydrophobicContact CB-CZ3 3.74Å; L215-W223 HydrophobicContact CD1-CD2 4.44Å; L215-W223 HydrophobicContact CD1-CE3 3.81Å; L215-W223 HydrophobicContact CD1-CZ3 4.36Å; P220-W223 HydrophobicContact CG-CE3 3.85Å; W223-S225 PolarHBondContact NE1-OG 3.48Å; W223-T249 HydrophobicContact CB-CG2 3.79Å; W223-H250 PolarHBondContact N-O 3.44Å; W223-F251 HydrophobicContact CB-CD2 3.98Å; W223-F251 AromaticContact CD1-CD2 3.56Å; W223-F251 AromaticContact CD1-CE2 3.56Å; W223-F251 AromaticContact CG-CD2 3.93Å; W223-F251 HydrophobicContact CG-CD2 3.93Å; W223-F251 HydrophobicContact CG-CE2 4.36Å; W223-F251 WeakPolarHBondContact O-CA 3.49Å; W223-L252 PolarHBondContact O-N 2.88Å
224F98.9Very high96.7Very high1 Ų121.7 Ų21.70%0.00411%0.111CC..EExtended strand (participates in β ladder)trans-116.9136-177.1-56.5-40.7000111.8V6 L36 I171 L172 M173 S174 Y222 L252 L267 I269V6-F224 HydrophobicContact CG1-CB 3.89Å; V6-F224 HydrophobicContact CG1-CD1 4.22Å; V6-F224 HydrophobicContact CG1-CD2 4.07Å; V6-F224 HydrophobicContact CG1-CG 3.8Å; V6-F224 HydrophobicContact CG2-CD1 4.21Å; V6-F224 HydrophobicContact CG2-CD2 3.73Å; V6-F224 HydrophobicContact CG2-CE1 4.06Å; V6-F224 HydrophobicContact CG2-CE2 3.57Å; V6-F224 HydrophobicContact CG2-CG 4.07Å; V6-F224 HydrophobicContact CG2-CZ 3.75Å; L36-F224 HydrophobicContact CD1-CD2 4.1Å; L36-F224 HydrophobicContact CD1-CE2 4.12Å; I171-F224 HydrophobicContact CD1-CE2 4.21Å; I171-F224 HydrophobicContact CG1-CE2 4.3Å; I171-F224 HydrophobicContact CG2-CD2 3.52Å; I171-F224 HydrophobicContact CG2-CE2 3.59Å; L172-F224 PolarHBondContact O-N 3.32Å; M173-F224 WeakPolarHBondContact CA-O 3.44Å; S174-F224 PolarHBondContact N-O 3.22Å; Y222-F224 HydrophobicContact CD1-CE1 4.09Å; Y222-F224 AromaticContact CD1-CZ 3.9Å; Y222-F224 HydrophobicContact CD1-CZ 3.9Å; Y222-F224 HydrophobicContact CG-CE1 4.36Å; Y222-F224 AromaticContact CG-CZ 3.92Å; Y222-F224 HydrophobicContact CG-CZ 3.92Å; F224-L252 WeakPolarHBondContact CA-O 3.24Å; F224-L252 HydrophobicContact CD1-CB 4.01Å; F224-L252 HydrophobicContact CE1-CB 4.27Å; F224-L267 HydrophobicContact CE1-CD1 3.72Å; F224-L267 HydrophobicContact CE2-CD1 4.46Å; F224-L267 HydrophobicContact CZ-CD1 3.43Å; F224-L267 VanDerWaalsContact CZ-CD1 3.43Å; F224-I269 HydrophobicContact CZ-CD1 4.42Å
225S98.8Very high96.7Very high0 Ų026.3 Ų26.30%014%0.135CC..EExtended strand (participates in β ladder)trans-144.2169.4-179.7-57.30000114.9S174 D176 W223 L252 A253 L254S174-S225 WeakPolarHBondContact O-CA 3.49Å; S174-S225 VanDerWaalsContact O-CB 3.32Å; S174-S225 WeakPolarHBondContact O-CB 3.27Å; S174-S225 PolarHBondContact O-OG 2.88Å; S174-S225 PolarHBondContact OG-OG 2.94Å; D176-S225 PolarHBondContact O-OG 2.9Å; W223-S225 PolarHBondContact NE1-OG 3.48Å; S225-L252 PolarHBondContact N-O 2.82Å; S225-A253 VanDerWaalsContact O-CA 3.24Å; S225-A253 WeakPolarHBondContact O-CA 3.42Å; S225-L254 PolarHBondContact O-N 3Å; S225-L254 VanDerWaalsContact O-N 3.14Å
226A97.8Very high96.7Very high0 Ų026.3 Ų26.30%014%0.135CC..  trans-136.1-117.2174.800000110.7C9 C38 H175 W177 L228C9-A226 WeakPolarHBondContact SG-CB 3.39Å; C38-A226 HydrophobicContact CB-CB 3.72Å; C38-A226 WeakPolarHBondContact O-CB 3.43Å; H175-A226 CarbonylContact O-C 3.56Å; H175-A226 PolarHBondContact O-N 2.85Å; W177-A226 PolarHBondContact NE1-O 2.69Å; A226-L228 PolarHBondContact O-N 3.43Å
227H97.1Very high96.7Very high32 Ų3229.2 Ų29.215%0.14814%0.142CC..SBendtrans60.8-58.4175.8-166.856000116.3C9 N85 H175 D176 H229C9-H227 PolarHBondContact SG-N 2.78Å; N85-H227 PolarHBondContact OD1-CE1 3.18Å; N85-H227 PolarHBondContact OD1-ND1 2.8Å; H175-H227 AromaticContact CD2-CG 3.82Å; H175-H227 AromaticContact CD2-ND1 3.54Å; H175-H227 AromaticContact NE2-CG 3.61Å; H175-H227 AromaticContact NE2-ND1 3.05Å; H175-H227 PolarHBondContact NE2-ND1 2.82Å; H175-H227 WeakPolarHBondContact O-CB 3.33Å; D176-H227 IonicContact OD1-CD2 3.83Å; H227-H229 PolarHBondContact O-N 3.26Å
228L95Very high96.6Very high15 Ų1526.9 Ų26.98%0.07913%0.134CC..SBendtrans-80.110.3-173.4-60.6-168.6000115.3W177 F197 L206 A226 C230W177-L228 HydrophobicContact CD2-CD1 3.57Å; W177-L228 HydrophobicContact CD2-CG 4.2Å; W177-L228 HydrophobicContact CE3-CD1 3.84Å; W177-L228 HydrophobicContact CG-CD1 3.9Å; W177-L228 HydrophobicContact CG-CG 4.25Å; W177-L228 HydrophobicContact CH2-CD1 4.3Å; W177-L228 HydrophobicContact CZ2-CB 3.86Å; W177-L228 HydrophobicContact CZ2-CD1 4.08Å; W177-L228 HydrophobicContact CZ2-CG 4.4Å; W177-L228 HydrophobicContact CZ3-CD1 4.2Å; F197-L228 HydrophobicContact CE2-CB 4.27Å; F197-L228 HydrophobicContact CE2-CD1 4.29Å; F197-L228 HydrophobicContact CZ-CB 3.86Å; F197-L228 HydrophobicContact CZ-CD1 4.23Å; F197-L228 HydrophobicContact CZ-CD2 4.37Å; F197-L228 HydrophobicContact CZ-CG 4.39Å; L206-L228 HydrophobicContact CD1-CD1 3.77Å; L206-L228 HydrophobicContact CD1-CD2 4.34Å; L206-L228 HydrophobicContact CD2-CD1 4.27Å; L206-L228 HydrophobicContact CG-CD1 4.02Å; A226-L228 PolarHBondContact O-N 3.43Å; L228-C230 VanDerWaalsContact C-N 3.33Å; L228-C230 PolarHBondContact O-N 3.15Å; L228-C230 VanDerWaalsContact O-N 3.13Å; L228-C230 PolarHBondContact O-SG 2.64Å; L228-C230 VanDerWaalsContact O-SG 3.39Å
229H94.6Very high95.9Very high15 Ų1532 Ų327%0.06917%0.17CC..SBendtrans41.853.2173.1-58.9136.3000114.5H11 K194 H227 D255 K256H11-H229 AromaticContact NE2-CD2 3.63Å; H11-H229 AromaticContact NE2-CE1 3.15Å; H11-H229 PolarHBondContact NE2-CE1 3.08Å; H11-H229 AromaticContact NE2-NE2 2.44Å; H11-H229 PolarHBondContact NE2-NE2 3.07Å; K194-H229 VanDerWaalsContact CE-O 3.24Å; K194-H229 WeakPolarHBondContact CE-O 3.46Å; H227-H229 PolarHBondContact O-N 3.26Å; H229-D255 VanDerWaalsContact C-OD1 3.23Å; H229-K256 HydrophobicContact CB-CG 4.33Å; H229-K256 VanDerWaalsContact CD2-CB 3.45Å; H229-K256 WeakPolarHBondContact CD2-CB 3.36Å
230C94.7Very high94.7Very high1 Ų131.8 Ų31.81%0.00717%0.17CC..SBendtrans-160.7142.7168.8560000111.1K194 L228 F232K194-C230 HydrophobicContact CG-CB 4.24Å; L228-C230 VanDerWaalsContact C-N 3.33Å; L228-C230 PolarHBondContact O-N 3.15Å; L228-C230 VanDerWaalsContact O-N 3.13Å; L228-C230 PolarHBondContact O-SG 2.64Å; L228-C230 VanDerWaalsContact O-SG 3.39Å; C230-F232 PolarHBondContact O-N 3.24Å
231K97Very high93.3Very high58 Ų5837.2 Ų37.225%0.25221%0.207SC..  trans-69.9125.3170.9178.1164.5-177.7169.50110.7L252 A253 L254 H262K231-L252 HydrophobicContact CG-CD1 4.33Å; K231-A253 VanDerWaalsContact CA-O 3.3Å; K231-A253 WeakPolarHBondContact CA-O 3.38Å; K231-L254 HydrophobicContact CD-CD2 4.01Å; K231-L254 HydrophobicContact CG-CD2 4.15Å; K231-H262 HydrophobicContact CB-CB 3.86Å; K231-H262 HydrophobicContact CD-CB 3.63Å; K231-H262 HydrophobicContact CG-CB 4.39Å
232F98.1Very high91.7Very high12 Ų1241 Ų415%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-143.7135.9175.8-177.1-102.3000110.3W177 L190 C230 A234 F251 L252 A253W177-F232 HydrophobicContact CE3-CD1 4.47Å; W177-F232 HydrophobicContact CH2-CB 3.37Å; W177-F232 AromaticContact CH2-CD1 3.94Å; W177-F232 HydrophobicContact CH2-CD1 3.94Å; W177-F232 AromaticContact CH2-CG 3.76Å; W177-F232 HydrophobicContact CH2-CG 3.76Å; W177-F232 HydrophobicContact CZ2-CB 4.02Å; W177-F232 HydrophobicContact CZ3-CB 4.04Å; W177-F232 AromaticContact CZ3-CD1 3.67Å; W177-F232 HydrophobicContact CZ3-CD1 3.67Å; W177-F232 HydrophobicContact CZ3-CE1 4.32Å; W177-F232 AromaticContact CZ3-CG 3.91Å; W177-F232 HydrophobicContact CZ3-CG 3.91Å; L190-F232 HydrophobicContact CB-CD2 4Å; L190-F232 HydrophobicContact CB-CE2 3.93Å; L190-F232 HydrophobicContact CD1-CD2 4.11Å; L190-F232 HydrophobicContact CD2-CD2 4.09Å; L190-F232 HydrophobicContact CD2-CE2 3.97Å; L190-F232 HydrophobicContact CD2-CZ 4.38Å; L190-F232 HydrophobicContact CG-CD2 4.29Å; L190-F232 HydrophobicContact CG-CE2 4.43Å; C230-F232 PolarHBondContact O-N 3.24Å; F232-A234 HydrophobicContact CE1-CB 3.86Å; F232-F251 HydrophobicContact CD1-CD1 4.19Å; F232-F251 AromaticContact CD1-CE1 3.99Å; F232-F251 HydrophobicContact CD1-CE1 3.99Å; F232-L252 WeakPolarHBondContact O-CA 3.33Å; F232-A253 HydrophobicContact CB-CB 4.45Å; F232-A253 PolarHBondContact N-O 2.82Å; F232-A253 VanDerWaalsContact N-O 3.07Å; F232-A253 PolarHBondContact O-N 3.31Å
233S98.3Very high90.1Very high77 Ų7742.1 Ų42.154%0.53824%0.236SC..EExtended strand (participates in β ladder)trans-124.3141.3178.155.70000111G185 F251G185-S233 WeakPolarHBondContact CA-O 3.44Å; S233-F251 WeakPolarHBondContact CA-O 3.44Å
234A98.4Very high88.4Confident5 Ų549.4 Ų49.44%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-145.9153.4-178.300000111.7I181 Y184 F232 F251I181-A234 HydrophobicContact CD1-CB 4.18Å; I181-A234 HydrophobicContact CG1-CB 4.26Å; Y184-A234 VanDerWaalsContact C-CB 3.46Å; Y184-A234 VanDerWaalsContact O-CA 3.25Å; Y184-A234 WeakPolarHBondContact O-CA 3.48Å; Y184-A234 VanDerWaalsContact O-CB 3.28Å; Y184-A234 WeakPolarHBondContact O-CB 3.35Å; F232-A234 HydrophobicContact CE1-CB 3.86Å; A234-F251 HydrophobicContact CB-CB 4.11Å; A234-F251 HydrophobicContact CB-CD1 4.24Å; A234-F251 PolarHBondContact N-O 3.17Å; A234-F251 PolarHBondContact O-N 3.36Å
235L98.1Very high86.9Confident98 Ų9854.2 Ų54.251%0.51330%0.296SS..EExtended strand (participates in β ladder)trans-120.8110.6176.5-65.2178.3000109.1Y184 I248 H250Y184-L235 PolarHBondContact O-N 3.19Å; L235-I248 HydrophobicContact CB-CG2 4.42Å; L235-I248 HydrophobicContact CD2-CG2 4.13Å; L235-H250 HydrophobicContact CD2-CB 4.44Å; L235-H250 WeakPolarHBondContact CD2-CD2 3.41Å
236V97.3Very high86Confident5 Ų557 Ų573%0.0332%0.316CS..EExtended strand (participates in β ladder)trans-97.2109.5-179-174.30000108.5I181 Y184 L215 H238 I248 T249I181-V236 HydrophobicContact CD1-CG2 3.35Å; Y184-V236 HydrophobicContact CD1-CB 4.25Å; Y184-V236 HydrophobicContact CD1-CG1 4.17Å; Y184-V236 HydrophobicContact CD1-CG2 4.13Å; Y184-V236 HydrophobicContact CD2-CG2 4.19Å; Y184-V236 HydrophobicContact CE1-CG1 3.97Å; Y184-V236 HydrophobicContact CG-CB 4.48Å; Y184-V236 HydrophobicContact CG-CG2 3.86Å; L215-V236 HydrophobicContact CD2-CG2 4.24Å; V236-H238 PolarHBondContact O-CD2 2.94Å; V236-I248 WeakPolarHBondContact O-CA 3.43Å; V236-T249 PolarHBondContact N-O 3.07Å; V236-T249 PolarHBondContact O-N 3.07Å
237E95Very high85.6Confident130 Ų13058.4 Ų58.461%0.60732%0.321SS*.EExtended strand (participates in β ladder)trans-87.4111.1175.8-167.6176.1-172.900110.9S239 S246 I248E237-S239 PolarHBondContact O-N 2.95Å; E237-S246 VanDerWaalsContact CD-OG 3.28Å; E237-S246 WeakPolarHBondContact CG-OG 3.33Å; E237-S246 WeakPolarHBondContact OE1-CB 3.15Å; E237-S246 PolarHBondContact OE1-OG 2.98Å; E237-I248 HydrophobicContact CG-CG1 4.44Å
238H90.8Very high85.4Confident18 Ų1860.2 Ų60.28%0.08333%0.331CS..EExtended strand (participates in β ladder)trans-89.9100.4176-56.4-83.4000109.6L215 K219 V236 D240 R247 T249L215-H238 PolarHBondContact O-CE1 2.79Å; K219-H238 HydrophobicContact CD-CB 4.14Å; K219-H238 HydrophobicContact CG-CB 4.34Å; V236-H238 PolarHBondContact O-CD2 2.94Å; H238-D240 PolarHBondContact O-N 3Å; H238-R247 HydrophobicContact CB-CB 4.27Å; H238-R247 WeakPolarHBondContact CB-O 3.42Å; H238-R247 PolarHBondContact N-O 3.41Å; H238-R247 PolarHBondContact O-N 3.27Å; H238-R247 VanDerWaalsContact O-N 3.09Å; H238-T249 PolarHBondContact NE2-OG1 3.42Å
239S80.3Confident85.6Confident108 Ų10859.5 Ų59.576%0.75533%0.327SS*.EExtended strand (participates in β ladder)trans-80.1109.6173.150.80000111E237E237-S239 PolarHBondContact O-N 2.95Å
240D69.3Low85.7Confident18 Ų1862.2 Ų62.210%0.09634%0.34CS..  trans-90.7108.6170.5-179.6-4.1000110.5H238 K242 T243 N244 S282H238-D240 PolarHBondContact O-N 3Å; D240-K242 VanDerWaalsContact C-N 3.25Å; D240-K242 PolarHBondContact O-N 3.05Å; D240-K242 WeakPolarHBondContact OD1-CA 3.45Å; D240-K242 WeakPolarHBondContact OD1-CB 3.42Å; D240-K242 PolarHBondContact OD1-N 3.17Å; D240-T243 WeakPolarHBondContact CB-OG1 3.46Å; D240-T243 PolarHBondContact OD1-N 2.85Å; D240-T243 WeakPolarHBondContact OD2-CB 3.49Å; D240-T243 WeakPolarHBondContact OD2-CG2 3.49Å; D240-T243 PolarHBondContact OD2-OG1 3.03Å; D240-N244 PolarHBondContact O-N 2.88Å; D240-S282 WeakPolarHBondContact OD2-CB 3.5Å; D240-S282 PolarHBondContact OD2-OG 3.43Å
241S66.2Low85.9Confident113 Ų11362.3 Ų62.379%0.7934%0.34SS*.THydrogen-bonded Turntrans-67.7-20178.961.20000114.1
242K62.3Low86Confident114 Ų11460.4 Ų60.450%0.49633%0.332SS..THydrogen-bonded Turntrans-84.6-45.5178-60.8-177.7-173.51740111.8D240 S282 N285D240-K242 VanDerWaalsContact C-N 3.25Å; D240-K242 PolarHBondContact O-N 3.05Å; D240-K242 WeakPolarHBondContact OD1-CA 3.45Å; D240-K242 WeakPolarHBondContact OD1-CB 3.42Å; D240-K242 PolarHBondContact OD1-N 3.17Å; K242-S282 PolarHBondContact NZ-O 3.25Å; K242-S282 VanDerWaalsContact NZ-O 3.16Å; K242-N285 PolarHBondContact NZ-OD1 3.03Å
243T65.1Low86Confident65 Ų6559.8 Ų59.840%0.39933%0.33SS..THydrogen-bonded Turntrans-94.6-11.8-173.465.40000114.4D240 K245D240-T243 WeakPolarHBondContact CB-OG1 3.46Å; D240-T243 PolarHBondContact OD1-N 2.85Å; D240-T243 WeakPolarHBondContact OD2-CB 3.49Å; D240-T243 WeakPolarHBondContact OD2-CG2 3.49Å; D240-T243 PolarHBondContact OD2-OG1 3.03Å; T243-K245 PolarHBondContact O-N 2.65Å; T243-K245 PolarHBondContact OG1-N 3.19Å
244N63.3Low86Confident153 Ų15356.2 Ų56.282%0.81831%0.305SS*.  trans54.812-167.9-78.7-39.2000114D240D240-N244 PolarHBondContact O-N 2.88Å
245K68.3Low86Confident102 Ų10256 Ų5644%0.44330%0.303SS..  trans-93.6109.8175.7-69.1179.4176.5173.90108.5T243 S278T243-K245 PolarHBondContact O-N 2.65Å; T243-K245 PolarHBondContact OG1-N 3.19Å; K245-S278 PolarHBondContact NZ-OG 3.42Å
246S80Confident85.9Confident59 Ų5952.4 Ų52.441%0.41328%0.283SS..EExtended strand (participates in β ladder)trans-68.5131.1165.7179.30000109.5E237E237-S246 VanDerWaalsContact CD-OG 3.28Å; E237-S246 WeakPolarHBondContact CG-OG 3.33Å; E237-S246 WeakPolarHBondContact OE1-CB 3.15Å; E237-S246 PolarHBondContact OE1-OG 2.98Å
247R87.6Confident85.8Confident28 Ų2852.5 Ų52.511%0.10628%0.284CS..EExtended strand (participates in β ladder)trans-112.1146.9168.1-65.1-175.8-176.3160.25.5108.8H238 S278 I280 N281H238-R247 HydrophobicContact CB-CB 4.27Å; H238-R247 WeakPolarHBondContact CB-O 3.42Å; H238-R247 PolarHBondContact N-O 3.41Å; H238-R247 PolarHBondContact O-N 3.27Å; H238-R247 VanDerWaalsContact O-N 3.09Å; R247-S278 PolarHBondContact NH2-O 3.14Å; R247-I280 PolarHBondContact NH2-O 2.83Å; R247-N281 PolarHBondContact NH1-OD1 2.93Å
248I94.4Very high85.7Confident71 Ų7149.8 Ų49.836%0.36427%0.273SS..EExtended strand (participates in β ladder)trans-117.3130.9176-64.7162.3000109.2L235 V236 E237L235-I248 HydrophobicContact CB-CG2 4.42Å; L235-I248 HydrophobicContact CD2-CG2 4.13Å; V236-I248 WeakPolarHBondContact O-CA 3.43Å; E237-I248 HydrophobicContact CG-CG1 4.44Å
249T97.6Very high85.7Confident0 Ų052.4 Ų52.40%029%0.292CS..EExtended strand (participates in β ladder)trans-96.6126.1162.4-58.10000109L215 P220 W223 V236 H238L215-T249 HydrophobicContact CD1-CG2 3.85Å; P220-T249 HydrophobicContact CG-CG2 4.08Å; P220-T249 WeakPolarHBondContact O-CA 3.32Å; P220-T249 VanDerWaalsContact O-CB 3.26Å; P220-T249 WeakPolarHBondContact O-CB 3.35Å; P220-T249 WeakPolarHBondContact O-CG2 3.38Å; P220-T249 PolarHBondContact O-OG1 2.84Å; W223-T249 HydrophobicContact CB-CG2 3.79Å; V236-T249 PolarHBondContact N-O 3.07Å; V236-T249 PolarHBondContact O-N 3.07Å; H238-T249 PolarHBondContact NE2-OG1 3.42Å
250H98.5Very high86.2Confident71 Ų7152.7 Ų52.733%0.32929%0.285SS..EExtended strand (participates in β ladder)trans-89.1106172.1-5678.2000108R221 Y222 W223 L235R221-H250 PolarHBondContact O-N 2.83Å; R221-H250 PolarHBondContact O-ND1 3.23Å; Y222-H250 WeakPolarHBondContact CA-O 3.44Å; Y222-H250 HydrophobicContact CD1-CB 3.73Å; Y222-H250 HydrophobicContact CE1-CB 3.97Å; W223-H250 PolarHBondContact N-O 3.44Å; L235-H250 HydrophobicContact CD2-CB 4.44Å; L235-H250 WeakPolarHBondContact CD2-CD2 3.41Å
251F98.7Very high87.4Confident4 Ų453.2 Ų53.22%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-90.4135.1175.7177.4-90.9000110.5W177 P178 I181 W223 F232 S233 A234 A253W177-F251 HydrophobicContact CB-CZ 4.43Å; W177-F251 HydrophobicContact CD2-CE1 4.29Å; W177-F251 AromaticContact CD2-CZ 3.93Å; W177-F251 HydrophobicContact CD2-CZ 3.93Å; W177-F251 HydrophobicContact CE3-CE1 4.34Å; W177-F251 HydrophobicContact CE3-CZ 4.33Å; W177-F251 AromaticContact CG-CZ 3.96Å; W177-F251 HydrophobicContact CG-CZ 3.96Å; P178-F251 HydrophobicContact CG-CE2 4.24Å; I181-F251 HydrophobicContact CD1-CB 3.82Å; I181-F251 HydrophobicContact CD1-CD1 4.36Å; I181-F251 HydrophobicContact CD1-CD2 4.16Å; I181-F251 HydrophobicContact CD1-CG 3.85Å; I181-F251 HydrophobicContact CG1-CB 3.99Å; I181-F251 HydrophobicContact CG1-CD1 3.58Å; I181-F251 HydrophobicContact CG1-CD2 3.73Å; I181-F251 HydrophobicContact CG1-CE1 3.93Å; I181-F251 HydrophobicContact CG1-CE2 4.07Å; I181-F251 HydrophobicContact CG1-CG 3.46Å; I181-F251 VanDerWaalsContact CG1-CG 3.46Å; I181-F251 HydrophobicContact CG1-CZ 4.15Å; I181-F251 HydrophobicContact CG2-CE1 4.18Å; I181-F251 HydrophobicContact CG2-CZ 4.13Å; W223-F251 HydrophobicContact CB-CD2 3.98Å; W223-F251 AromaticContact CD1-CD2 3.56Å; W223-F251 AromaticContact CD1-CE2 3.56Å; W223-F251 AromaticContact CG-CD2 3.93Å; W223-F251 HydrophobicContact CG-CD2 3.93Å; W223-F251 HydrophobicContact CG-CE2 4.36Å; W223-F251 WeakPolarHBondContact O-CA 3.49Å; F232-F251 HydrophobicContact CD1-CD1 4.19Å; F232-F251 AromaticContact CD1-CE1 3.99Å; F232-F251 HydrophobicContact CD1-CE1 3.99Å; S233-F251 WeakPolarHBondContact CA-O 3.44Å; A234-F251 HydrophobicContact CB-CB 4.11Å; A234-F251 HydrophobicContact CB-CD1 4.24Å; A234-F251 PolarHBondContact N-O 3.17Å; A234-F251 PolarHBondContact O-N 3.36Å; F251-A253 HydrophobicContact CE1-CB 3.73Å; F251-A253 HydrophobicContact CZ-CB 3.86Å
252L98.8Very high88.8Confident17 Ų1750.8 Ų50.89%0.08926%0.262CS..EExtended strand (participates in β ladder)trans-138.8119.8170.7174.169.6000110W223 F224 S225 K231 F232 L254 Q265W223-L252 PolarHBondContact O-N 2.88Å; F224-L252 WeakPolarHBondContact CA-O 3.24Å; F224-L252 HydrophobicContact CD1-CB 4.01Å; F224-L252 HydrophobicContact CE1-CB 4.27Å; S225-L252 PolarHBondContact N-O 2.82Å; K231-L252 HydrophobicContact CG-CD1 4.33Å; F232-L252 WeakPolarHBondContact O-CA 3.33Å; L252-L254 HydrophobicContact CD1-CD2 3.96Å; L252-L254 HydrophobicContact CD2-CD1 4.38Å; L252-L254 HydrophobicContact CD2-CD2 4.14Å; L252-L254 HydrophobicContact CD2-CG 4.24Å; L252-L254 HydrophobicContact CG-CD2 4.1Å; L252-L254 HydrophobicContact CG-CG 4.15Å; L252-Q265 HydrophobicContact CD2-CB 3.74Å; L252-Q265 HydrophobicContact CD2-CG 3.68Å
253A98.5Very high90.5Very high0 Ų045.6 Ų45.60%024%0.239CC..EExtended strand (participates in β ladder)trans-99.2148.4161.500000110.9W177 S225 K231 F232 F251W177-A253 HydrophobicContact CD2-CB 4.23Å; W177-A253 HydrophobicContact CH2-CB 4.18Å; W177-A253 HydrophobicContact CZ2-CB 3.26Å; W177-A253 VanDerWaalsContact NE1-CB 3.33Å; S225-A253 VanDerWaalsContact O-CA 3.24Å; S225-A253 WeakPolarHBondContact O-CA 3.42Å; K231-A253 VanDerWaalsContact CA-O 3.3Å; K231-A253 WeakPolarHBondContact CA-O 3.38Å; F232-A253 HydrophobicContact CB-CB 4.45Å; F232-A253 PolarHBondContact N-O 2.82Å; F232-A253 VanDerWaalsContact N-O 3.07Å; F232-A253 PolarHBondContact O-N 3.31Å; F251-A253 HydrophobicContact CE1-CB 3.73Å; F251-A253 HydrophobicContact CZ-CB 3.86Å
254L98.4Very high92Very high1 Ų143.6 Ų43.61%0.00523%0.226CC..  trans-124.7162.4178.6-66.7176.8000112.3V6 S225 K231 L252 Y263 Q265V6-L254 HydrophobicContact CB-CD1 3.98Å; V6-L254 HydrophobicContact CG1-CD1 3.85Å; V6-L254 WeakPolarHBondContact O-CD1 3.13Å; S225-L254 PolarHBondContact O-N 3Å; S225-L254 VanDerWaalsContact O-N 3.14Å; K231-L254 HydrophobicContact CD-CD2 4.01Å; K231-L254 HydrophobicContact CG-CD2 4.15Å; L252-L254 HydrophobicContact CD1-CD2 3.96Å; L252-L254 HydrophobicContact CD2-CD1 4.38Å; L252-L254 HydrophobicContact CD2-CD2 4.14Å; L252-L254 HydrophobicContact CD2-CG 4.24Å; L252-L254 HydrophobicContact CG-CD2 4.1Å; L252-L254 HydrophobicContact CG-CG 4.15Å; L254-Y263 WeakPolarHBondContact CD1-O 3.48Å; L254-Q265 HydrophobicContact CD1-CB 4.07Å; L254-Q265 HydrophobicContact CD2-CB 4.21Å
255D97.7Very high93.7Very high2 Ų237.6 Ų37.61%0.01119%0.193CC..  trans-80.1177-178.6-140.7-42.6000112G8 C9 R193 H229 R261 H262 Y263G8-D255 WeakPolarHBondContact CA-O 3.46Å; C9-D255 PolarHBondContact N-O 3.34Å; R193-D255 IonicContact CZ-OD2 2.81Å; R193-D255 IonicContact NH2-OD2 2.68Å; R193-D255 PolarHBondContact NH2-OD2 2.75Å; H229-D255 VanDerWaalsContact C-OD1 3.23Å; D255-R261 HydrophobicContact CB-CB 4Å; D255-H262 WeakPolarHBondContact CB-O 3.48Å; D255-H262 PolarHBondContact N-O 3.27Å; D255-Y263 VanDerWaalsContact O-CB 3.25Å; D255-Y263 WeakPolarHBondContact O-CB 3.38Å
256K95.7Very high95.1Very high21 Ų2134.2 Ų34.29%0.09118%0.178CC..BIsolated β-bridgetrans-77.4152.1170.646.2177.3170.4174.90112.3C9 H229 L258 Y263C9-K256 HydrophobicContact CB-CB 4Å; C9-K256 CarbonylContact O-C 3.51Å; C9-K256 WeakPolarHBondContact O-CA 3.35Å; H229-K256 HydrophobicContact CB-CG 4.33Å; H229-K256 VanDerWaalsContact CD2-CB 3.45Å; H229-K256 WeakPolarHBondContact CD2-CB 3.36Å; K256-L258 HydrophobicContact CD-CD1 3.68Å; K256-L258 HydrophobicContact CD-CG 4.25Å; K256-L258 HydrophobicContact CG-CD1 3.91Å; K256-L258 HydrophobicContact CG-CG 4.17Å; K256-L258 PolarHBondContact O-N 3.48Å; K256-Y263 WeakPolarHBondContact O-CB 3.42Å
257C94.6Very high95.9Very high7 Ų733 Ų335%0.04717%0.167CC..SBendtrans-61.889.6174.9-171.80000111.4C9 E13 V17 Y263C9-C257 PolarHBondContact O-N 2.96Å; E13-C257 HydrophobicContact CB-CB 4.33Å; V17-C257 HydrophobicContact CG2-CB 4.47Å; C257-Y263 HydrophobicContact CB-CD2 3.97Å; C257-Y263 HydrophobicContact CB-CE2 4.28Å; C257-Y263 HydrophobicContact CB-CG 4.25Å; C257-Y263 VanDerWaalsContact SG-CE2 3.55Å
258L94.1Very high96.4Very high73 Ų7335.9 Ų35.938%0.38218%0.184SC..  trans-148.5151.4178.9-73.8-178.5000109.9K256 N260 R261 Y263K256-L258 HydrophobicContact CD-CD1 3.68Å; K256-L258 HydrophobicContact CD-CG 4.25Å; K256-L258 HydrophobicContact CG-CD1 3.91Å; K256-L258 HydrophobicContact CG-CG 4.17Å; K256-L258 PolarHBondContact O-N 3.48Å; L258-N260 PolarHBondContact O-N 3.23Å; L258-R261 HydrophobicContact CB-CB 4.43Å; L258-R261 HydrophobicContact CB-CG 3.79Å; L258-R261 WeakPolarHBondContact O-CB 3.45Å; L258-R261 PolarHBondContact O-N 3.04Å; L258-R261 VanDerWaalsContact O-N 3.12Å; L258-Y263 VanDerWaalsContact O-CE1 3.23Å; L258-Y263 WeakPolarHBondContact O-CE1 3.5Å
259P90.8Very high96.5Very high74 Ų7432.5 Ų32.548%0.48117%0.167SC..THydrogen-bonded Turntrans-53.5140.4179.1-27.336.5000113R261 L612P259-R261 PolarHBondContact O-N 3.43Å; P259-R261 VanDerWaalsContact O-N 3.1Å; P259-L612 HydrophobicContact CB-CD1 3.9Å; P259-L612 HydrophobicContact CG-CD1 3.58Å
260N91.2Very high96.2Very high113 Ų11338.5 Ų38.560%0.60420%0.195SC*.THydrogen-bonded Turntrans59.710.9-178.1-48.7-53.5000115.4L258L258-N260 PolarHBondContact O-N 3.23Å
261R94.3Very high95.6Very high29 Ų2935.6 Ų35.611%0.10918%0.182CC..SBendtrans-95.3154.9172.8-57.6-57.8-171161.31.8111.2D255 L258 P259 Y263 I572 D574D255-R261 HydrophobicContact CB-CB 4Å; L258-R261 HydrophobicContact CB-CB 4.43Å; L258-R261 HydrophobicContact CB-CG 3.79Å; L258-R261 WeakPolarHBondContact O-CB 3.45Å; L258-R261 PolarHBondContact O-N 3.04Å; L258-R261 VanDerWaalsContact O-N 3.12Å; P259-R261 PolarHBondContact O-N 3.43Å; P259-R261 VanDerWaalsContact O-N 3.1Å; R261-Y263 HydrophobicContact CB-CD1 4.2Å; R261-Y263 VanDerWaalsContact O-CD1 3.24Å; R261-Y263 WeakPolarHBondContact O-CD1 3.25Å; R261-Y263 PolarHBondContact O-N 2.97Å; R261-I572 PolarHBondContact NH2-O 2.96Å; R261-D574 IonicContact CZ-OD2 2.89Å; R261-D574 IonicContact NH1-OD2 2.68Å; R261-D574 PolarHBondContact NH1-OD2 3.09Å; R261-D574 IonicContact NH2-OD2 2.66Å; R261-D574 PolarHBondContact NH2-OD2 3.16Å
262H94.7Very high94.7Very high62 Ų6238.8 Ų38.829%0.28720%0.197SC..  trans-93.574.3177.7-62-54.9000110.9K231 D255K231-H262 HydrophobicContact CB-CB 3.86Å; K231-H262 HydrophobicContact CD-CB 3.63Å; K231-H262 HydrophobicContact CG-CB 4.39Å; D255-H262 WeakPolarHBondContact CB-O 3.48Å; D255-H262 PolarHBondContact N-O 3.27Å
263Y97.7Very high93.2Very high6 Ų643.1 Ų43.12%0.02422%0.22CC..  trans-96-11.2179.856.6-85.7000114.5V7 G8 V17 D20 L254 D255 K256 C257 L258 R261V7-Y263 CarbonylContact C-O 3.52Å; V7-Y263 VanDerWaalsContact CA-O 3.31Å; V7-Y263 WeakPolarHBondContact CA-O 3.5Å; G8-Y263 PolarHBondContact N-O 3.07Å; V17-Y263 HydrophobicContact CG2-CD2 4.34Å; V17-Y263 HydrophobicContact CG2-CE2 4.22Å; D20-Y263 PolarHBondContact OD2-OH 3.12Å; L254-Y263 WeakPolarHBondContact CD1-O 3.48Å; D255-Y263 VanDerWaalsContact O-CB 3.25Å; D255-Y263 WeakPolarHBondContact O-CB 3.38Å; K256-Y263 WeakPolarHBondContact O-CB 3.42Å; C257-Y263 HydrophobicContact CB-CD2 3.97Å; C257-Y263 HydrophobicContact CB-CE2 4.28Å; C257-Y263 HydrophobicContact CB-CG 4.25Å; C257-Y263 VanDerWaalsContact SG-CE2 3.55Å; L258-Y263 VanDerWaalsContact O-CE1 3.23Å; L258-Y263 WeakPolarHBondContact O-CE1 3.5Å; R261-Y263 HydrophobicContact CB-CD1 4.2Å; R261-Y263 VanDerWaalsContact O-CD1 3.24Å; R261-Y263 WeakPolarHBondContact O-CD1 3.25Å; R261-Y263 PolarHBondContact O-N 2.97Å
264L97.2Very high91.3Very high23 Ų2351 Ų5112%0.1225%0.254CS..EExtended strand (participates in β ladder)trans-116.2146.7176-58.1179.3000112V6 V7 V17 D20V6-L264 WeakPolarHBondContact O-CA 3.23Å; V7-L264 HydrophobicContact CB-CD2 4.16Å; V7-L264 HydrophobicContact CG1-CD2 3.92Å; V7-L264 HydrophobicContact CG2-CD2 3.71Å; V17-L264 HydrophobicContact CG1-CD2 4.13Å; V17-L264 HydrophobicContact CG2-CD2 4.41Å; D20-L264 HydrophobicContact CB-CD1 3.6Å
265Q98.2Very high89.2Confident26 Ų2655.8 Ų55.812%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-148126.9166179.968.65800110.5V6 L252 L254 L267V6-Q265 PolarHBondContact N-O 3.44Å; V6-Q265 PolarHBondContact O-N 3.01Å; L252-Q265 HydrophobicContact CD2-CB 3.74Å; L252-Q265 HydrophobicContact CD2-CG 3.68Å; L254-Q265 HydrophobicContact CD1-CB 4.07Å; L254-Q265 HydrophobicContact CD2-CB 4.21Å; Q265-L267 HydrophobicContact CG-CD2 4.16Å; Q265-L267 HydrophobicContact CG-CG 4.24Å
266F98.3Very high87.1Confident32 Ų3260.4 Ų60.414%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-89.4139.7172-63.3-86.7000111V4 C5 I21 A24 F30 T32V4-F266 CarbonylContact O-C 3.56Å; V4-F266 WeakPolarHBondContact O-CA 3.24Å; C5-F266 HydrophobicContact CB-CD1 3.86Å; C5-F266 HydrophobicContact CB-CE1 3.64Å; C5-F266 HydrophobicContact CB-CZ 4.38Å; C5-F266 VanDerWaalsContact SG-CE1 3.58Å; I21-F266 HydrophobicContact CB-CZ 4.49Å; I21-F266 HydrophobicContact CG1-CE1 4.38Å; I21-F266 HydrophobicContact CG1-CZ 4.06Å; I21-F266 HydrophobicContact CG2-CE1 4.44Å; A24-F266 HydrophobicContact CB-CD2 4.45Å; A24-F266 HydrophobicContact CB-CE2 3.5Å; A24-F266 VanDerWaalsContact CB-CE2 3.5Å; A24-F266 HydrophobicContact CB-CZ 3.6Å; F30-F266 AromaticContact CE2-CD1 3.62Å; F30-F266 HydrophobicContact CE2-CD1 3.62Å; F30-F266 AromaticContact CE2-CE1 3.73Å; F30-F266 HydrophobicContact CE2-CE1 3.73Å; F30-F266 HydrophobicContact CE2-CG 4.24Å; F30-F266 HydrophobicContact CE2-CZ 4.45Å; F30-F266 AromaticContact CZ-CD1 3.69Å; F30-F266 HydrophobicContact CZ-CD1 3.69Å; F30-F266 HydrophobicContact CZ-CD2 4.18Å; F30-F266 AromaticContact CZ-CE1 3.84Å; F30-F266 HydrophobicContact CZ-CE1 3.84Å; F30-F266 HydrophobicContact CZ-CE2 4.34Å; F30-F266 AromaticContact CZ-CG 3.87Å; F30-F266 HydrophobicContact CZ-CG 3.87Å; F30-F266 HydrophobicContact CZ-CZ 4.18Å; T32-F266 HydrophobicContact CG2-CE1 4.41Å
267L97.8Very high84.9Confident34 Ų3467.7 Ų67.718%0.17833%0.332CS..EExtended strand (participates in β ladder)trans-138.9142.7-179.8-63.3172.9000110.1K3 V4 V6 F224 Q265 I269K3-L267 VanDerWaalsContact CE-C 3.49Å; K3-L267 WeakPolarHBondContact CE-O 3.29Å; V4-L267 PolarHBondContact N-O 2.91Å; V4-L267 PolarHBondContact O-N 3.18Å; V6-L267 HydrophobicContact CG2-CD1 4.01Å; F224-L267 HydrophobicContact CE1-CD1 3.72Å; F224-L267 HydrophobicContact CE2-CD1 4.46Å; F224-L267 HydrophobicContact CZ-CD1 3.43Å; F224-L267 VanDerWaalsContact CZ-CD1 3.43Å; Q265-L267 HydrophobicContact CG-CD2 4.16Å; Q265-L267 HydrophobicContact CG-CG 4.24Å; L267-I269 HydrophobicContact CB-CD1 4.48Å; L267-I269 HydrophobicContact CB-CG1 4.22Å
268D97.2Very high82.9Confident87 Ų8768.9 Ų68.947%0.46534%0.341SS..EExtended strand (participates in β ladder)trans-99.4112.8167.7-64.6-62.7000108.7M1 K3M1-D268 HydrophobicContact SD-CB 4.2Å; K3-D268 WeakPolarHBondContact CD-OD1 3.47Å; K3-D268 WeakPolarHBondContact CE-OD1 3.34Å; K3-D268 IonicContact NZ-OD1 3.48Å; K3-D268 PolarHBondContact NZ-OD1 2.83Å; K3-D268 IonicContact NZ-OD2 3.98Å; K3-D268 PolarHBondContact NZ-OD2 3.1Å
269I95.7Very high81Confident0 Ų066.2 Ų66.20%033%0.328CS..EExtended strand (participates in β ladder)trans-110.9117.8-178.3-55.6-178.9000108.6V2 V4 L119 I171 Y222 F224 L267V2-I269 PolarHBondContact N-O 2.91Å; V2-I269 PolarHBondContact O-N 2.97Å; V4-I269 HydrophobicContact CB-CD1 4.35Å; V4-I269 HydrophobicContact CG2-CD1 4.07Å; V4-I269 HydrophobicContact CG2-CG1 4.44Å; L119-I269 HydrophobicContact CD1-CB 4.35Å; L119-I269 HydrophobicContact CD1-CG2 4.25Å; L119-I269 HydrophobicContact CD2-CB 4.39Å; L119-I269 HydrophobicContact CD2-CG2 3.59Å; I171-I269 HydrophobicContact CD1-CD1 3.71Å; I171-I269 HydrophobicContact CG1-CD1 4.19Å; Y222-I269 HydrophobicContact CD2-CD1 4.03Å; Y222-I269 HydrophobicContact CD2-CG2 4.39Å; Y222-I269 HydrophobicContact CE2-CD1 4.1Å; Y222-I269 HydrophobicContact CE2-CG1 4.12Å; Y222-I269 HydrophobicContact CE2-CG2 3.89Å; Y222-I269 HydrophobicContact CG-CD1 4.35Å; F224-I269 HydrophobicContact CZ-CD1 4.42Å; L267-I269 HydrophobicContact CB-CD1 4.48Å; L267-I269 HydrophobicContact CB-CG1 4.22Å
270E91.5Very high79.5Confident127 Ų12765.3 Ų65.359%0.59332%0.318SS*.  trans-85.6123173.5-174.2169-148.100109.7M1 R221M1-E270 HydrophobicContact CG-CB 4.27Å; R221-E270 VanDerWaalsContact CZ-O 3.23Å; R221-E270 PolarHBondContact NH1-O 2.74Å; R221-E270 PolarHBondContact NH2-O 2.83Å
271P87.2Confident77.9Confident10 Ų1060 Ų607%0.06529%0.29CS..  trans-66.2141.3177.427.4-34.8000111.7G118 L119 L273G118-P271 WeakPolarHBondContact O-CB 3.38Å; L119-P271 HydrophobicContact CD2-CB 3.92Å; P271-L273 VanDerWaalsContact C-N 3.31Å; P271-L273 HydrophobicContact CB-CD2 4.21Å; P271-L273 HydrophobicContact CG-CD2 3.82Å; P271-L273 HydrophobicContact CG-CG 4.42Å; P271-L273 PolarHBondContact O-N 3Å
272E79Confident75.9Confident71 Ų7159.6 Ų59.633%0.33229%0.292SS..  trans-76.781175.4-75.7-177.6-179.400110.1R168 R221 K274R168-E272 IonicContact CZ-OE1 2.7Å; R168-E272 IonicContact CZ-OE2 3.88Å; R168-E272 IonicContact NH1-OE1 3.85Å; R168-E272 PolarHBondContact NH1-OE1 3.45Å; R168-E272 IonicContact NH1-OE2 3.95Å; R168-E272 PolarHBondContact NH1-OE2 2.92Å; R221-E272 WeakPolarHBondContact CD-OE1 3.44Å; R221-E272 IonicContact CZ-OE1 3.06Å; R221-E272 IonicContact NE-OE1 2.79Å; R221-E272 PolarHBondContact NE-OE1 2.88Å; E272-K274 PolarHBondContact O-N 3.2Å
273L66.6Low73.9Confident107 Ų10760.5 Ų60.556%0.5630%0.298SS*.  trans-61.9-2.1-175.9-57.7179.9000115.7P271 L301P271-L273 VanDerWaalsContact C-N 3.31Å; P271-L273 HydrophobicContact CB-CD2 4.21Å; P271-L273 HydrophobicContact CG-CD2 3.82Å; P271-L273 HydrophobicContact CG-CG 4.42Å; P271-L273 PolarHBondContact O-N 3Å; L273-L301 HydrophobicContact CD2-CD1 3.49Å; L273-L301 VanDerWaalsContact CD2-CD1 3.49Å; L273-L301 HydrophobicContact CD2-CD2 3.74Å; L273-L301 HydrophobicContact CD2-CG 4.29Å
274K59Low71.4Confident166 Ų16661.8 Ų61.872%0.72231%0.308SS*.SBendtrans-131.4129.1-172.8-72.1-173.4175.2-175.20112.2E272 D276E272-K274 PolarHBondContact O-N 3.2Å; K274-D276 PolarHBondContact O-N 3.21Å; K274-D276 VanDerWaalsContact O-N 3.09Å
275Y55Low68.5Low101 Ų10167.3 Ų67.340%0.39634%0.338SS..  trans-7788.3164.3-64.3-71.1000111R167 P296 I298R167-Y275 VanDerWaalsContact NH2-CE1 3.29Å; R167-Y275 PolarHBondContact NH2-OH 3.28Å; Y275-P296 WeakPolarHBondContact CE2-O 3.48Å; Y275-P296 PolarHBondContact OH-O 2.89Å; Y275-I298 HydrophobicContact CE2-CG1 4.5Å; Y275-I298 WeakPolarHBondContact OH-CG1 3.28Å; Y275-I298 PolarHBondContact OH-N 3.48Å
276D52.4Low65.5Low100 Ų10071.2 Ų71.254%0.53536%0.359SS..  trans-77153.3150-71.3-16.7000108.8K274 S278 S279K274-D276 PolarHBondContact O-N 3.21Å; K274-D276 VanDerWaalsContact O-N 3.09Å; D276-S278 VanDerWaalsContact CB-OG 3.29Å; D276-S278 WeakPolarHBondContact CB-OG 3.43Å; D276-S278 PolarHBondContact O-N 2.75Å; D276-S279 WeakPolarHBondContact O-CB 3.46Å; D276-S279 PolarHBondContact O-N 2.92Å; D276-S279 PolarHBondContact O-OG 2.88Å
277E51.1Low62.3Low174 Ų17475.3 Ų75.381%0.81339%0.392SS*.G310 helixtrans-53.3-22.9166.5-66.1-178.4153.600112.2S279 I280E277-S279 PolarHBondContact O-N 2.84Å; E277-S279 VanDerWaalsContact O-N 3.12Å; E277-I280 PolarHBondContact O-N 3.18Å; E277-I280 VanDerWaalsContact O-N 3.16Å
278S51.4Low59.2Low32 Ų3277.1 Ų77.122%0.22440%0.401CS..G310 helixtrans-60.7-12.4171-10.20000115K245 R247 D276K245-S278 PolarHBondContact NZ-OG 3.42Å; R247-S278 PolarHBondContact NH2-O 3.14Å; D276-S278 VanDerWaalsContact CB-OG 3.29Å; D276-S278 WeakPolarHBondContact CB-OG 3.43Å; D276-S278 PolarHBondContact O-N 2.75Å
279S54.9Low56.1Low16 Ų1675.8 Ų75.811%0.11240%0.399CS..G310 helixtrans-86-5.6176.7660000113.5R168 D276 E277R168-S279 VanDerWaalsContact CB-O 3.27Å; R168-S279 WeakPolarHBondContact CB-O 2.97Å; R168-S279 PolarHBondContact N-O 2.99Å; D276-S279 WeakPolarHBondContact O-CB 3.46Å; D276-S279 PolarHBondContact O-N 2.92Å; D276-S279 PolarHBondContact O-OG 2.88Å; E277-S279 PolarHBondContact O-N 2.84Å; E277-S279 VanDerWaalsContact O-N 3.12Å
280I59.3Low53.3Low55 Ų5581.6 Ų81.628%0.28244%0.44SS..BIsolated β-bridgetrans-95.7138.2177.1-56.7174.2000109.7R247 E277 S282R247-I280 PolarHBondContact NH2-O 2.83Å; E277-I280 PolarHBondContact O-N 3.18Å; E277-I280 VanDerWaalsContact O-N 3.16Å; I280-S282 PolarHBondContact O-N 2.95Å
281N58Low50.5Low2 Ų283.8 Ų83.81%0.01145%0.45CS..  trans-72.6105173.1-73.1-30.9000110.1R166 L218 R247 D283 S284R166-N281 WeakPolarHBondContact O-CB 3.32Å; R166-N281 PolarHBondContact O-N 2.89Å; R166-N281 PolarHBondContact O-ND2 2.96Å; L218-N281 PolarHBondContact O-ND2 3.38Å; R247-N281 PolarHBondContact NH1-OD1 2.93Å; N281-D283 PolarHBondContact O-N 3.46Å; N281-S284 PolarHBondContact O-OG 3.26Å
282S52.5Low48.1Very low21 Ų2186.8 Ų86.815%0.14747%0.465CS..THydrogen-bonded Turntrans-68.50.5-166.847.40000116.6D240 K242 I280 S284D240-S282 WeakPolarHBondContact OD2-CB 3.5Å; D240-S282 PolarHBondContact OD2-OG 3.43Å; K242-S282 PolarHBondContact NZ-O 3.25Å; K242-S282 VanDerWaalsContact NZ-O 3.16Å; I280-S282 PolarHBondContact O-N 2.95Å; S282-S284 PolarHBondContact O-N 2.93Å
283D51.8Low46.1Very low80 Ų8086.2 Ų86.243%0.42848%0.478SS..THydrogen-bonded Turntrans-75.6-12.3178.9-63.7-54.4000112.5K219 N281K219-D283 IonicContact NZ-OD1 2.76Å; K219-D283 IonicContact NZ-OD2 3.61Å; K219-D283 PolarHBondContact NZ-OD2 3.25Å; N281-D283 PolarHBondContact O-N 3.46Å
284S45Very low44.7Very low33 Ų3389.1 Ų89.123%0.23149%0.494CS..SBendtrans-91.4122.4169.557.30000112.8N281 S282 L286N281-S284 PolarHBondContact O-OG 3.26Å; S282-S284 PolarHBondContact O-N 2.93Å; S284-L286 PolarHBondContact O-N 3.11Å
285N35.8Very low43.8Very low139 Ų13986.7 Ų86.774%0.74349%0.489SS*.  trans-7730.2175.5-75.5-10.2000113.7K242K242-N285 PolarHBondContact NZ-OD1 3.03Å
286L36.4Very low43.5Very low109 Ų10984.6 Ų84.657%0.57149%0.488SS*.  trans-115.9106.4-179.9-70.5172.1000109.3S284 L288S284-L286 PolarHBondContact O-N 3.11Å; L286-L288 PolarHBondContact O-N 3.16Å
287S31.1Very low44.2Very low117 Ų11780.3 Ų80.382%0.81847%0.465SS*.  trans-60.7115.5167.1-176.20000107.9
288L33Very low45.5Very low72 Ų7272.4 Ų72.438%0.37743%0.428SS..  trans-58141.6166.2-160.870.1000108L286 D375L286-L288 PolarHBondContact O-N 3.16Å; L288-D375 WeakPolarHBondContact CD1-OD2 3.34Å
289S32Very low46.9Very low59 Ų5971.5 Ų71.541%0.41342%0.422SS..  trans-73.5136.8-178.584.20000109.3Q291S289-Q291 PolarHBondContact O-N 2.95Å
290S35.4Very low47.9Very low123 Ų12370.9 Ų70.986%0.8642%0.417SS*.THydrogen-bonded Turntrans-74.730.7177.753.10000113.3
291Q33.3Very low48.7Very low173 Ų17370.8 Ų70.881%0.80842%0.417SS*.THydrogen-bonded Turntrans-91.6-10.2-179.5-65.1-165.3-3.900113.7S289 G293S289-Q291 PolarHBondContact O-N 2.95Å; Q291-G293 VanDerWaalsContact C-N 3.33Å; Q291-G293 PolarHBondContact O-N 2.95Å
292L37.4Very low48.8Very low72 Ų7273.4 Ų73.438%0.37744%0.435SS..SBendtrans-71.594.1154.1-73.2175000108.5D294L292-D294 PolarHBondContact O-N 3.46Å; L292-D294 VanDerWaalsContact O-N 3.17Å
293G35.8Very low48.5Very low59 Ų5978.3 Ų78.361%0.60845%0.454SS*.  trans-71.299.7164.300000109.5Q291 D295Q291-G293 VanDerWaalsContact C-N 3.33Å; Q291-G293 PolarHBondContact O-N 2.95Å; G293-D295 PolarHBondContact O-N 2.98Å
294D38.2Very low47.6Very low169 Ų16980.4 Ų80.490%0.90447%0.473SS*.SBendtrans53.7-0.6170.3-67.8-28.6000119.2L292L292-D294 PolarHBondContact O-N 3.46Å; L292-D294 VanDerWaalsContact O-N 3.17Å
295D40.6Very low47Very low115 Ų11586.7 Ų86.762%0.61550%0.497SS*.  trans-78.7140.7-174.6-92.8-27.9000115.2G293G293-D295 PolarHBondContact O-N 2.98Å
296P48.5Very low46.8Very low57 Ų5785.5 Ų85.537%0.3750%0.497SS..  -101.3-5.6-129-11.131.3000117.5Y275 I298Y275-P296 WeakPolarHBondContact CE2-O 3.48Å; Y275-P296 PolarHBondContact OH-O 2.89Å; P296-I298 PolarHBondContact O-N 3.22Å
297V67.3Low46.4Very low9 Ų984.7 Ų84.76%0.05550%0.5CS..SBendtrans66-49.7166.1173.60000115.8Q115 V299 P338 I378Q115-V297 PolarHBondContact NE2-O 2.57Å; V297-V299 PolarHBondContact O-N 3.2Å; V297-P338 HydrophobicContact CG1-CG 4.43Å; V297-I378 HydrophobicContact CG1-CG2 4.46Å
298I77.9Confident46.4Very low8 Ų885.1 Ų85.14%0.04150%0.497CS..  trans-68.881.4164.9-40.8-163.7000107.7Q115 Y275 P296 S300 L301 S302Q115-I298 VanDerWaalsContact OE1-C 3.25Å; Y275-I298 HydrophobicContact CE2-CG1 4.5Å; Y275-I298 WeakPolarHBondContact OH-CG1 3.28Å; Y275-I298 PolarHBondContact OH-N 3.48Å; P296-I298 PolarHBondContact O-N 3.22Å; I298-S300 WeakPolarHBondContact CG2-OG 3.35Å; I298-S300 PolarHBondContact O-N 2.96Å; I298-S300 VanDerWaalsContact O-N 3.15Å; I298-L301 HydrophobicContact CB-CB 4.39Å; I298-L301 HydrophobicContact CB-CD1 3.86Å; I298-L301 HydrophobicContact CB-CG 4.1Å; I298-L301 HydrophobicContact CD1-CD1 3.93Å; I298-L301 HydrophobicContact CG1-CD1 4.3Å; I298-L301 HydrophobicContact CG2-CB 4.38Å; I298-L301 HydrophobicContact CG2-CD1 3.85Å; I298-L301 HydrophobicContact CG2-CG 3.74Å; I298-L301 PolarHBondContact O-N 3.46Å; I298-S302 PolarHBondContact O-OG 3.45Å
299V80.5Confident46.3Very low14 Ų1488.1 Ų88.19%0.08551%0.514CS..G310 helixtrans-53.6-32.6179-69.10000111.7Q115 V297 L301 S302 Y335 P338 F389Q115-V299 VanDerWaalsContact OE1-CG2 3.29Å; V297-V299 PolarHBondContact O-N 3.2Å; V299-L301 PolarHBondContact O-N 2.95Å; V299-S302 WeakPolarHBondContact O-CB 3.38Å; V299-S302 PolarHBondContact O-N 3.5Å; V299-Y335 HydrophobicContact CB-CD1 4.47Å; V299-Y335 HydrophobicContact CG2-CD1 4.22Å; V299-Y335 HydrophobicContact CG2-CG 4.23Å; V299-P338 HydrophobicContact CG1-CG 3.92Å; V299-F389 HydrophobicContact CB-CB 4.48Å; V299-F389 HydrophobicContact CG1-CD2 3.83Å; V299-F389 HydrophobicContact CG1-CG 4.47Å; V299-F389 HydrophobicContact CG2-CB 4.1Å
300S77.2Confident46.3Very low2 Ų292.7 Ų92.71%0.01453%0.534CS..G310 helixtrans-67-12.5175.262.10000115.8Q115 G118 I298 Y335Q115-S300 PolarHBondContact OE1-OG 2.89Å; G118-S300 WeakPolarHBondContact CA-OG 3.28Å; G118-S300 PolarHBondContact N-OG 3.41Å; G118-S300 VanDerWaalsContact N-OG 3.08Å; I298-S300 WeakPolarHBondContact CG2-OG 3.35Å; I298-S300 PolarHBondContact O-N 2.96Å; I298-S300 VanDerWaalsContact O-N 3.15Å; S300-Y335 VanDerWaalsContact CB-CD2 3.45Å
301L74.3Confident46.1Very low53 Ų5391.8 Ų91.828%0.27753%0.528SS..G310 helixtrans-97.8-10.6171-65175.7000113.3L273 I298 V299 K303 I330L273-L301 HydrophobicContact CD2-CD1 3.49Å; L273-L301 VanDerWaalsContact CD2-CD1 3.49Å; L273-L301 HydrophobicContact CD2-CD2 3.74Å; L273-L301 HydrophobicContact CD2-CG 4.29Å; I298-L301 HydrophobicContact CB-CB 4.39Å; I298-L301 HydrophobicContact CB-CD1 3.86Å; I298-L301 HydrophobicContact CB-CG 4.1Å; I298-L301 HydrophobicContact CD1-CD1 3.93Å; I298-L301 HydrophobicContact CG1-CD1 4.3Å; I298-L301 HydrophobicContact CG2-CB 4.38Å; I298-L301 HydrophobicContact CG2-CD1 3.85Å; I298-L301 HydrophobicContact CG2-CG 3.74Å; I298-L301 PolarHBondContact O-N 3.46Å; V299-L301 PolarHBondContact O-N 2.95Å; L301-K303 PolarHBondContact O-N 2.9Å; L301-K303 VanDerWaalsContact O-N 3.15Å; L301-I330 HydrophobicContact CD2-CG2 4.35Å
302S60.1Low46Very low57 Ų5792.5 Ų92.540%0.39953%0.531SS..  trans-81.6100-162.1-63.60000112.5I298 V299I298-S302 PolarHBondContact O-OG 3.45Å; V299-S302 WeakPolarHBondContact O-CB 3.38Å; V299-S302 PolarHBondContact O-N 3.5Å
303K47.4Very low45.7Very low124 Ų12498 Ų9854%0.53955%0.552SS.*  trans-114.272.7169.9-78.3-176.9166.4178.70112L301 E329L301-K303 PolarHBondContact O-N 2.9Å; L301-K303 VanDerWaalsContact O-N 3.15Å; K303-E329 WeakPolarHBondContact CE-O 3.1Å; K303-E329 PolarHBondContact NZ-O 3.1Å
304C33.1Very low45.4Very low124 Ų124102.1 Ų102.184%0.83856%0.56SS**  trans-178.7114.3155.5-99.50000111.7
305K30.6Very low44.9Very low165 Ų165101.2 Ų101.272%0.71755%0.554SS**  trans-80126.3145.7-82.6179.8176.6171.80106.3S307 G386K305-S307 PolarHBondContact O-N 3.12Å; K305-S307 VanDerWaalsContact O-N 3.08Å; K305-G386 PolarHBondContact NZ-O 2.93Å; K305-G386 VanDerWaalsContact NZ-O 3.12Å
306P31.7Very low44.3Very low115 Ų115103.9 Ų103.975%0.74756%0.56SS**  trans-63.3115.1168.726.2-31.4000107.6V308P306-V308 PolarHBondContact O-N 2.98Å; P306-V308 VanDerWaalsContact O-N 3.07Å
307S29.6Very low43.3Very low92 Ų92109.8 Ų109.864%0.64359%0.588SS**  trans-59.2117.1175.958.10000108.7K305 N309K305-S307 PolarHBondContact O-N 3.12Å; K305-S307 VanDerWaalsContact O-N 3.08Å; S307-N309 PolarHBondContact O-N 2.91Å
308V29.4Very low41.4Very low125 Ų125116.5 Ų116.576%0.75862%0.623SS**  trans-67.683.6175-177.10000108.5P306P306-V308 PolarHBondContact O-N 2.98Å; P306-V308 VanDerWaalsContact O-N 3.07Å
309N32.3Very low39.1Very low135 Ų135125.1 Ų125.172%0.72266%0.664SS**  trans-95.991.4168.6-85.2-30.4000107.8S307 S311S307-N309 PolarHBondContact O-N 2.91Å; N309-S311 PolarHBondContact O-N 3.33Å
310D31.1Very low36.7Very low155 Ų155132.3 Ų132.383%0.82970%0.701SS**  trans-53.1100.8167.6-76.7-45.7000110.7
311S32.5Very low34.4Very low105 Ų105139.2 Ų139.273%0.73474%0.737SS**  trans-161.5105.2149.341.10000111N309 K313N309-S311 PolarHBondContact O-N 3.33Å; S311-K313 PolarHBondContact O-N 2.54Å
312E31.5Very low32.3Very low187 Ų187144 Ų14487%0.87476%0.763SS**  trans-52.5119.6160.9-60.7175.3122.400110
313K29.1Very low30.9Very low188 Ų188148 Ų14882%0.81778%0.78SS**  trans-172.4123.6136.7-100.1140.5-160.9160.60112.2S311S311-K313 PolarHBondContact O-N 2.54Å
314D29.8Very low30.1Very low146 Ų146146.1 Ų146.178%0.78179%0.787SS**  trans19.9114.6141.3-56.3-45.4000117.5
315L28.5Very low29.9Very low150 Ų150146 Ų14679%0.78578%0.779SS**  174.4125.5104.7-90162.1000112.7
316K28.3Very low30.4Very low171 Ų171144 Ų14474%0.74378%0.782SS**  trans42.7106.8145.6-65.5-179.8179.5179.70118.6N318K316-N318 PolarHBondContact O-N 2.79Å
317L27.5Very low30.6Very low181 Ų181145.2 Ų145.295%0.94878%0.783SS**  trans-23.693.6149.1-168.476.2000113.5
318N27.8Very low31.3Very low149 Ų149145.6 Ų145.680%0.79778%0.777SS**  trans-104.4143.2164.1-86.1-19.6000108.1K316K316-N318 PolarHBondContact O-N 2.79Å
319E28.9Very low32.5Very low190 Ų190147.1 Ų147.189%0.88878%0.776SS**  trans-58.3144.2-168.7-63.1164.5147.900112.6N321E319-N321 PolarHBondContact O-N 2.81Å
320L30.6Very low33.8Very low165 Ų165144.6 Ų144.686%0.86476%0.762SS**  trans-53.4103.3-178.4-73.5140.4000111.2N322L320-N322 PolarHBondContact O-N 3.3Å; L320-N322 VanDerWaalsContact O-N 3.1Å
321N28.7Very low35.4Very low146 Ų146138.4 Ų138.478%0.78173%0.731SS**  trans-70.7104.6172.6-99.7-33.6000109E319 N323E319-N321 PolarHBondContact O-N 2.81Å; N321-N323 PolarHBondContact O-N 3.06Å
322N30.6Very low37.6Very low155 Ų155137.4 Ų137.483%0.82972%0.721SS**  trans-69.260.9175.6-69.4-44.3000112.6L320L320-N322 PolarHBondContact O-N 3.3Å; L320-N322 VanDerWaalsContact O-N 3.1Å
323N29.1Very low40.6Very low140 Ų140131.8 Ų131.875%0.74970%0.697SS**  trans-112.950.4175.7-72.4-18.3000110.8N321 N325N321-N323 PolarHBondContact O-N 3.06Å; N323-N325 PolarHBondContact O-N 2.67Å
324A31.9Very low43.8Very low84 Ų84123.1 Ų123.169%0.69466%0.659SS**  trans-66.3125.1156.100000107.5
325N29.1Very low47Very low122 Ų122117.3 Ų117.365%0.65263%0.626SS**  trans-74.9124179.9-111.4-25.4000107.9N323 N327 D328N323-N325 PolarHBondContact O-N 2.67Å; N325-N327 PolarHBondContact O-N 3.19Å; N325-D328 PolarHBondContact O-N 3.29Å; N325-D328 VanDerWaalsContact O-N 3.14Å
326P40.2Very low50.2Low122 Ų122111 Ų11179%0.79259%0.593SS**THydrogen-bonded Turntrans-70.713.3-176.130.1-36.5000114.6
327N37.1Very low53.4Low141 Ų141103 Ų10375%0.75456%0.558SS**THydrogen-bonded Turntrans-105.517.4172.6-67.612.3000111.8N325 E329N325-N327 PolarHBondContact O-N 3.19Å; N327-E329 PolarHBondContact O-N 3.45Å
328D44.4Very low56.7Low100 Ų10094.3 Ų94.354%0.53551%0.513SS..  trans-66.782.7168.6-71.8-35000109.3N325 I330N325-D328 PolarHBondContact O-N 3.29Å; N325-D328 VanDerWaalsContact O-N 3.14Å; D328-I330 PolarHBondContact O-N 2.89Å; D328-I330 VanDerWaalsContact O-N 3.08Å
329E53.5Low59.9Low157 Ų15787.4 Ų87.473%0.73448%0.476SS*.PPolyproline II helixtrans-52.3116.8178.8-73.3176.8152.600109.5K303 N327 S331K303-E329 WeakPolarHBondContact CE-O 3.1Å; K303-E329 PolarHBondContact NZ-O 3.1Å; N327-E329 PolarHBondContact O-N 3.45Å; E329-S331 PolarHBondContact O-N 3.12Å
330I59.4Low63.2Low83 Ų8378.7 Ų78.743%0.42644%0.435SS..PPolyproline II helixtrans-62.3130.5176.9-64.5173.5000107.5A117 L301 D328 T332A117-I330 VanDerWaalsContact CA-CG2 3.48Å; A117-I330 HydrophobicContact CB-CG2 3.74Å; L301-I330 HydrophobicContact CD2-CG2 4.35Å; D328-I330 PolarHBondContact O-N 2.89Å; D328-I330 VanDerWaalsContact O-N 3.08Å; I330-T332 PolarHBondContact O-N 2.92Å; I330-T332 VanDerWaalsContact O-N 3.16Å
331S65.7Low66.4Low24 Ų2470.9 Ų70.917%0.16839%0.394CS..PPolyproline II helixtrans-63.1117.4178.9-179.60000110E329 N333 Y335E329-S331 PolarHBondContact O-N 3.12Å; S331-N333 PolarHBondContact O-N 2.6Å; S331-N333 WeakPolarHBondContact OG-CB 3.38Å; S331-N333 PolarHBondContact OG-N 2.94Å; S331-Y335 PolarHBondContact OG-OH 2.8Å
332T78.8Confident69.6Low85 Ų8564.1 Ų64.152%0.52136%0.358SS..  trans-86.319.8171.156.50000112.1F116 I330F116-T332 WeakPolarHBondContact CE2-O 3.28Å; F116-T332 HydrophobicContact CZ-CG2 4.39Å; I330-T332 PolarHBondContact O-N 2.92Å; I330-T332 VanDerWaalsContact O-N 3.16Å
333N92.7Very high72.8Confident69 Ų6956.7 Ų56.737%0.36932%0.319SS..SBendtrans-81.1156.9170.3-58.9-19000109.9S331 Y335 Q390S331-N333 PolarHBondContact O-N 2.6Å; S331-N333 WeakPolarHBondContact OG-CB 3.38Å; S331-N333 PolarHBondContact OG-N 2.94Å; N333-Y335 HydrophobicContact CB-CE2 3.79Å; N333-Y335 VanDerWaalsContact O-CD2 3.29Å; N333-Y335 WeakPolarHBondContact O-CD2 3.34Å; N333-Y335 WeakPolarHBondContact O-CE2 3.36Å; N333-Q390 HydrophobicContact CB-CG 3.94Å; N333-Q390 VanDerWaalsContact ND2-CD 3.31Å; N333-Q390 PolarHBondContact ND2-NE2 3.37Å; N333-Q390 PolarHBondContact ND2-OE1 3.25Å
334L97Very high76.1Confident6 Ų650.1 Ų50.13%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-86.5138.7172.7-170.263.2000109.8L78 L80 W100 W106 V114 F116 V391L78-L334 HydrophobicContact CD2-CB 4.11Å; L78-L334 HydrophobicContact CD2-CD1 4.33Å; L80-L334 HydrophobicContact CD1-CD1 4.35Å; L80-L334 HydrophobicContact CD2-CD1 3.98Å; L80-L334 HydrophobicContact CD2-CD2 3.93Å; W100-L334 HydrophobicContact CH2-CB 4.48Å; W100-L334 HydrophobicContact CH2-CD2 4Å; W100-L334 HydrophobicContact CZ2-CD2 4.37Å; W106-L334 HydrophobicContact CB-CD2 3.99Å; W106-L334 HydrophobicContact CD2-CD2 3.69Å; W106-L334 HydrophobicContact CE3-CD2 4.08Å; W106-L334 HydrophobicContact CG-CD2 3.65Å; V114-L334 HydrophobicContact CB-CD1 3.92Å; V114-L334 HydrophobicContact CG2-CD1 3.81Å; F116-L334 HydrophobicContact CB-CD1 4.4Å; L334-V391 HydrophobicContact CB-CB 4.26Å; L334-V391 HydrophobicContact CB-CG2 4.18Å; L334-V391 HydrophobicContact CD2-CB 4.49Å; L334-V391 HydrophobicContact CD2-CG2 4.08Å; L334-V391 HydrophobicContact CG-CB 4.42Å; L334-V391 HydrophobicContact CG-CG2 3.87Å; L334-V391 PolarHBondContact O-N 3.32Å
335Y96.5Very high79.2Confident23 Ų2350.7 Ų50.79%0.0927%0.268CS..EExtended strand (participates in β ladder)trans-128.3147.2178-62.6-102.3000110.6V114 Q115 V299 S300 S331 N333 F389 Q390V114-Y335 CarbonylContact C-O 3.54Å; V114-Y335 WeakPolarHBondContact CA-O 3.06Å; V114-Y335 WeakPolarHBondContact CB-O 3.08Å; Q115-Y335 PolarHBondContact N-O 3.13Å; Q115-Y335 PolarHBondContact O-N 2.86Å; V299-Y335 HydrophobicContact CB-CD1 4.47Å; V299-Y335 HydrophobicContact CG2-CD1 4.22Å; V299-Y335 HydrophobicContact CG2-CG 4.23Å; S300-Y335 VanDerWaalsContact CB-CD2 3.45Å; S331-Y335 PolarHBondContact OG-OH 2.8Å; N333-Y335 HydrophobicContact CB-CE2 3.79Å; N333-Y335 VanDerWaalsContact O-CD2 3.29Å; N333-Y335 WeakPolarHBondContact O-CD2 3.34Å; N333-Y335 WeakPolarHBondContact O-CE2 3.36Å; Y335-F389 CarbonylContact C-O 3.52Å; Y335-F389 VanDerWaalsContact CA-O 3.3Å; Y335-F389 WeakPolarHBondContact CA-O 3.26Å; Y335-Q390 VanDerWaalsContact CD1-CA 3.45Å; Y335-Q390 HydrophobicContact CD1-CB 3.87Å; Y335-Q390 HydrophobicContact CD1-CG 4.44Å; Y335-Q390 VanDerWaalsContact CD1-N 3.34Å; Y335-Q390 HydrophobicContact CE1-CB 3.61Å; Y335-Q390 HydrophobicContact CE1-CG 4.08Å
336L96.9Very high82.4Confident18 Ų1845.8 Ų45.89%0.09424%0.243CC..EExtended strand (participates in β ladder)trans-76.1144.5169-59.5175.2000110W106 P338 L341 F385 F389 V391 I443W106-L336 HydrophobicContact CH2-CD2 4.45Å; W106-L336 HydrophobicContact CZ2-CD2 4.22Å; L336-P338 WeakPolarHBondContact O-CD 3.43Å; L336-L341 HydrophobicContact CB-CD1 3.87Å; L336-L341 HydrophobicContact CB-CD2 4.31Å; L336-L341 HydrophobicContact CB-CG 4.28Å; L336-L341 HydrophobicContact CD1-CD1 4.12Å; L336-L341 HydrophobicContact CD1-CD2 4.45Å; L336-F385 HydrophobicContact CD1-CE1 3.86Å; L336-F385 HydrophobicContact CD1-CZ 4.42Å; L336-F389 PolarHBondContact N-O 3.32Å; L336-V391 HydrophobicContact CD2-CG2 3.88Å; L336-V391 HydrophobicContact CG-CG2 3.95Å; L336-I443 HydrophobicContact CD1-CD1 3.97Å
337D95.6Very high85.1Confident2 Ų240 Ų401%0.01121%0.205CC..  trans-87.6118.6-179.9-173.8-89.4000112.1V113 Q115 R120 E339 W340 L341V113-D337 HydrophobicContact CB-CB 3.91Å; V113-D337 HydrophobicContact CG1-CB 3.82Å; V113-D337 VanDerWaalsContact O-CB 3.31Å; V113-D337 WeakPolarHBondContact O-CB 3.37Å; V113-D337 PolarHBondContact O-N 3.38Å; Q115-D337 HydrophobicContact CG-CB 4.18Å; Q115-D337 PolarHBondContact NE2-OD2 3.15Å; R120-D337 IonicContact CZ-OD1 3.76Å; R120-D337 IonicContact CZ-OD2 2.77Å; R120-D337 IonicContact NE-OD1 3.49Å; R120-D337 IonicContact NE-OD2 3.79Å; R120-D337 PolarHBondContact NE-OD2 3.26Å; R120-D337 IonicContact NH2-OD1 2.84Å; R120-D337 PolarHBondContact NH2-OD1 2.86Å; R120-D337 IonicContact NH2-OD2 3.65Å; R120-D337 PolarHBondContact NH2-OD2 2.93Å; D337-E339 VanDerWaalsContact C-N 3.34Å; D337-E339 PolarHBondContact O-N 2.85Å; D337-E339 WeakPolarHBondContact OD1-CB 3.49Å; D337-E339 PolarHBondContact OD1-N 3.33Å; D337-W340 HydrophobicContact CB-CB 4.16Å; D337-W340 WeakPolarHBondContact O-CB 3.49Å; D337-W340 PolarHBondContact O-N 2.91Å; D337-W340 VanDerWaalsContact O-N 3.15Å; D337-W340 PolarHBondContact OD1-N 2.71Å; D337-L341 WeakPolarHBondContact O-CG 3.41Å; D337-L341 PolarHBondContact O-N 2.75Å
338P95.4Very high87.9Confident0 Ų034.5 Ų34.50%018%0.176CC..Hα-helixtrans-63.1-31.8-174.2-25.935.9000115V297 V299 L336 L341 S342 I378 F389V297-P338 HydrophobicContact CG1-CG 4.43Å; V299-P338 HydrophobicContact CG1-CG 3.92Å; L336-P338 WeakPolarHBondContact O-CD 3.43Å; P338-L341 PolarHBondContact O-N 3.06Å; P338-S342 PolarHBondContact O-N 3.42Å; P338-S342 PolarHBondContact O-OG 3.27Å; P338-S342 VanDerWaalsContact O-OG 3.05Å; P338-I378 HydrophobicContact CB-CG2 3.9Å; P338-F389 HydrophobicContact CB-CE1 4.3Å; P338-F389 HydrophobicContact CB-CZ 4.25Å; P338-F389 HydrophobicContact CG-CD1 4.11Å; P338-F389 HydrophobicContact CG-CD2 4.05Å; P338-F389 HydrophobicContact CG-CE1 4.09Å; P338-F389 HydrophobicContact CG-CE2 4.02Å; P338-F389 HydrophobicContact CG-CG 4.09Å; P338-F389 HydrophobicContact CG-CZ 4.04Å
339E95.6Very high90.3Very high4 Ų435.4 Ų35.42%0.01918%0.177CC..Hα-helixtrans-64.5-43.8176.4-174-171.6-15900110.1R120 I165 R166 R167 D337 S342 I343 A373 I378R120-E339 IonicContact CZ-OE2 2.68Å; R120-E339 IonicContact NH1-OE2 3.63Å; R120-E339 PolarHBondContact NH1-OE2 3.1Å; R120-E339 IonicContact NH2-OE2 3.33Å; R120-E339 PolarHBondContact NH2-OE2 2.91Å; I165-E339 HydrophobicContact CD1-CB 4.5Å; I165-E339 HydrophobicContact CD1-CG 4.05Å; R166-E339 PolarHBondContact N-OE1 2.84Å; R167-E339 WeakPolarHBondContact CB-OE2 3.43Å; R167-E339 WeakPolarHBondContact CD-OE2 3.36Å; R167-E339 WeakPolarHBondContact CG-OE2 3.29Å; R167-E339 PolarHBondContact N-OE1 2.96Å; D337-E339 VanDerWaalsContact C-N 3.34Å; D337-E339 PolarHBondContact O-N 2.85Å; D337-E339 WeakPolarHBondContact OD1-CB 3.49Å; D337-E339 PolarHBondContact OD1-N 3.33Å; E339-S342 PolarHBondContact O-N 3.06Å; E339-I343 HydrophobicContact CG-CD1 4.2Å; E339-I343 WeakPolarHBondContact O-CD1 3.43Å; E339-I343 WeakPolarHBondContact O-CG1 3.23Å; E339-I343 PolarHBondContact O-N 3.2Å; E339-A373 HydrophobicContact CG-CB 4.01Å; E339-I378 HydrophobicContact CB-CD1 4.35Å
340W97.5Very high92.2Very high6 Ų628.9 Ų28.92%0.02315%0.147CC..Hα-helixtrans-64.4-43.7176.1172.5-107.8000113.1A111 V113 R161 L162 I165 D337 S342 I343 L344A111-W340 HydrophobicContact CB-CH2 4.04Å; A111-W340 HydrophobicContact CB-CZ2 4.41Å; A111-W340 WeakPolarHBondContact O-CZ2 3.17Å; V113-W340 HydrophobicContact CB-CB 3.7Å; V113-W340 HydrophobicContact CB-CD2 4.48Å; V113-W340 HydrophobicContact CB-CG 3.95Å; V113-W340 HydrophobicContact CG2-CB 3.89Å; V113-W340 HydrophobicContact CG2-CD2 4.03Å; V113-W340 HydrophobicContact CG2-CE3 3.97Å; V113-W340 HydrophobicContact CG2-CG 3.98Å; R161-W340 HydrophobicContact CB-CH2 3.78Å; R161-W340 HydrophobicContact CB-CZ3 3.69Å; L162-W340 HydrophobicContact CD2-CE3 4.26Å; L162-W340 HydrophobicContact CD2-CH2 4.39Å; L162-W340 HydrophobicContact CD2-CZ3 3.78Å; L162-W340 HydrophobicContact CG-CH2 4.5Å; L162-W340 HydrophobicContact CG-CZ3 4.09Å; I165-W340 HydrophobicContact CD1-CB 4.45Å; D337-W340 HydrophobicContact CB-CB 4.16Å; D337-W340 WeakPolarHBondContact O-CB 3.49Å; D337-W340 PolarHBondContact O-N 2.91Å; D337-W340 VanDerWaalsContact O-N 3.15Å; D337-W340 PolarHBondContact OD1-N 2.71Å; W340-S342 VanDerWaalsContact C-N 3.32Å; W340-S342 PolarHBondContact O-N 3.24Å; W340-I343 WeakPolarHBondContact O-CB 3.17Å; W340-I343 PolarHBondContact O-N 3.2Å; W340-L344 HydrophobicContact CD2-CG 4.38Å; W340-L344 HydrophobicContact CH2-CD2 4.23Å; W340-L344 HydrophobicContact CZ2-CD1 4.2Å; W340-L344 HydrophobicContact CZ2-CD2 3.61Å; W340-L344 HydrophobicContact CZ2-CG 3.86Å; W340-L344 PolarHBondContact O-N 3.37Å
341L97.9Very high93.9Very high2 Ų225.5 Ų25.51%0.0113%0.129CC..Hα-helixtrans-62.7-38.2177.1-62-168.8000112L336 D337 P338 L344 R345 L381 F385 F389 L447L336-L341 HydrophobicContact CB-CD1 3.87Å; L336-L341 HydrophobicContact CB-CD2 4.31Å; L336-L341 HydrophobicContact CB-CG 4.28Å; L336-L341 HydrophobicContact CD1-CD1 4.12Å; L336-L341 HydrophobicContact CD1-CD2 4.45Å; D337-L341 WeakPolarHBondContact O-CG 3.41Å; D337-L341 PolarHBondContact O-N 2.75Å; P338-L341 PolarHBondContact O-N 3.06Å; L341-L344 HydrophobicContact CD2-CD1 4.39Å; L341-L344 PolarHBondContact O-N 3.13Å; L341-R345 PolarHBondContact O-N 3.26Å; L341-L381 HydrophobicContact CB-CD1 3.52Å; L341-F385 HydrophobicContact CD1-CE1 4.05Å; L341-F385 HydrophobicContact CD1-CE2 3.99Å; L341-F385 HydrophobicContact CD1-CZ 3.59Å; L341-F389 HydrophobicContact CD1-CD1 4.01Å; L341-F389 HydrophobicContact CD1-CE1 4.15Å; L341-L447 HydrophobicContact CB-CD1 4.24Å; L341-L447 HydrophobicContact CB-CD2 4.17Å; L341-L447 HydrophobicContact CD1-CD1 4.34Å; L341-L447 HydrophobicContact CD2-CD1 3.85Å; L341-L447 HydrophobicContact CG-CD1 4.35Å
342S97.2Very high95.2Very high3 Ų326.2 Ų26.22%0.02114%0.135CC..Hα-helixtrans-65.2-39.6174-63.10000112.1P338 E339 W340 R345 S346 A373 E377 I378 L381P338-S342 PolarHBondContact O-N 3.42Å; P338-S342 PolarHBondContact O-OG 3.27Å; P338-S342 VanDerWaalsContact O-OG 3.05Å; E339-S342 PolarHBondContact O-N 3.06Å; W340-S342 VanDerWaalsContact C-N 3.32Å; W340-S342 PolarHBondContact O-N 3.24Å; S342-R345 PolarHBondContact O-N 3.17Å; S342-S346 VanDerWaalsContact O-CB 3.28Å; S342-S346 WeakPolarHBondContact O-CB 3.45Å; S342-S346 PolarHBondContact O-N 2.95Å; S342-S346 PolarHBondContact O-OG 2.81Å; S342-A373 VanDerWaalsContact CB-CB 3.48Å; S342-E377 PolarHBondContact OG-O 3.35Å; S342-E377 VanDerWaalsContact OG-O 3.08Å; S342-I378 WeakPolarHBondContact OG-CA 3.48Å; S342-I378 PolarHBondContact OG-N 3.3Å; S342-L381 WeakPolarHBondContact OG-CD1 3.34Å
343I97.6Very high95.9Very high0 Ų023.7 Ų23.70%012%0.119CC..Hα-helixtrans-62.7-46.8173.1-69.4157.4000110.7R161 Q164 I165 E339 W340 R345 S346 T347 F371R161-I343 HydrophobicContact CB-CG2 3.92Å; R161-I343 HydrophobicContact CG-CG2 4.06Å; Q164-I343 HydrophobicContact CB-CD1 3.82Å; Q164-I343 HydrophobicContact CB-CG1 3.93Å; Q164-I343 HydrophobicContact CB-CG2 4.14Å; Q164-I343 HydrophobicContact CG-CG2 4.18Å; I165-I343 HydrophobicContact CD1-CD1 3.46Å; I165-I343 VanDerWaalsContact CD1-CD1 3.46Å; I165-I343 HydrophobicContact CG1-CD1 3.93Å; E339-I343 HydrophobicContact CG-CD1 4.2Å; E339-I343 WeakPolarHBondContact O-CD1 3.43Å; E339-I343 WeakPolarHBondContact O-CG1 3.23Å; E339-I343 PolarHBondContact O-N 3.2Å; W340-I343 WeakPolarHBondContact O-CB 3.17Å; W340-I343 PolarHBondContact O-N 3.2Å; I343-R345 PolarHBondContact O-N 2.8Å; I343-S346 PolarHBondContact O-N 2.7Å; I343-S346 PolarHBondContact O-OG 2.94Å; I343-T347 HydrophobicContact CG2-CG2 4.41Å; I343-T347 WeakPolarHBondContact O-CB 3.34Å; I343-T347 WeakPolarHBondContact O-CG2 3.33Å; I343-T347 PolarHBondContact O-N 2.75Å; I343-T347 PolarHBondContact O-OG1 3.36Å; I343-F371 WeakPolarHBondContact CG1-O 3.37Å
344L98Very high95.9Very high2 Ų222.6 Ų22.61%0.0112%0.117CC..Hα-helixtrans-55.6-50.3175.7-78.5-177.9000112.1Y97 W340 L341 T347 N348 L449Y97-L344 HydrophobicContact CD1-CD1 3.92Å; Y97-L344 HydrophobicContact CD1-CD2 4.06Å; Y97-L344 HydrophobicContact CE1-CD1 4.47Å; Y97-L344 HydrophobicContact CE1-CD2 3.98Å; W340-L344 HydrophobicContact CD2-CG 4.38Å; W340-L344 HydrophobicContact CH2-CD2 4.23Å; W340-L344 HydrophobicContact CZ2-CD1 4.2Å; W340-L344 HydrophobicContact CZ2-CD2 3.61Å; W340-L344 HydrophobicContact CZ2-CG 3.86Å; W340-L344 PolarHBondContact O-N 3.37Å; L341-L344 HydrophobicContact CD2-CD1 4.39Å; L341-L344 PolarHBondContact O-N 3.13Å; L344-T347 CarbonylContact O-C 3.6Å; L344-T347 PolarHBondContact O-N 3.24Å; L344-T347 PolarHBondContact O-OG1 2.85Å; L344-N348 PolarHBondContact O-N 3.23Å; L344-L449 HydrophobicContact CB-CD1 4.36Å; L344-L449 HydrophobicContact CB-CD2 4.26Å; L344-L449 HydrophobicContact CD1-CD1 4.34Å
345R96.9Very high95.7Very high95 Ų9529.4 Ų29.436%0.35815%0.146SC..Hα-helixtrans-61.7-48.7-179.1-172.9167.5-167.8-157.27112.1L341 S342 I343 T347 N348 L447 D448L341-R345 PolarHBondContact O-N 3.26Å; S342-R345 PolarHBondContact O-N 3.17Å; I343-R345 PolarHBondContact O-N 2.8Å; R345-T347 VanDerWaalsContact C-N 3.32Å; R345-T347 PolarHBondContact O-N 3.49Å; R345-N348 WeakPolarHBondContact O-CB 3.25Å; R345-N348 PolarHBondContact O-N 3.03Å; R345-L447 WeakPolarHBondContact CG-O 3.43Å; R345-D448 IonicContact CZ-OD2 3.65Å; R345-D448 IonicContact NE-OD2 3.7Å; R345-D448 PolarHBondContact NE-OD2 3.11Å; R345-D448 IonicContact NH2-OD2 2.68Å; R345-D448 PolarHBondContact NH2-OD2 3.41Å
346S96.6Very high95.4Very high20 Ų2032.6 Ų32.614%0.1417%0.168CC..Hα-helixtrans-65.4-31.7-179.769.40000113.5S342 I343 H349 F371S342-S346 VanDerWaalsContact O-CB 3.28Å; S342-S346 WeakPolarHBondContact O-CB 3.45Å; S342-S346 PolarHBondContact O-N 2.95Å; S342-S346 PolarHBondContact O-OG 2.81Å; I343-S346 PolarHBondContact O-N 2.7Å; I343-S346 PolarHBondContact O-OG 2.94Å; S346-H349 PolarHBondContact O-CE1 3.47Å; S346-H349 PolarHBondContact O-ND1 2.86Å; S346-H349 VanDerWaalsContact O-ND1 3.14Å; S346-F371 WeakPolarHBondContact O-CE1 3.22Å
347T96.5Very high95.2Very high0 Ų034.8 Ų34.80%018%0.183CC..THydrogen-bonded Turntrans-98.413.417862.70000113.8F160 R161 I343 L344 R345 H349 L350 F371F160-T347 HydrophobicContact CE1-CG2 4.17Å; R161-T347 HydrophobicContact CG-CG2 4.4Å; R161-T347 WeakPolarHBondContact CG-OG1 3.36Å; R161-T347 PolarHBondContact NE-OG1 3.16Å; R161-T347 PolarHBondContact NH2-O 2.82Å; R161-T347 VanDerWaalsContact NH2-O 3.17Å; I343-T347 HydrophobicContact CG2-CG2 4.41Å; I343-T347 WeakPolarHBondContact O-CB 3.34Å; I343-T347 WeakPolarHBondContact O-CG2 3.33Å; I343-T347 PolarHBondContact O-N 2.75Å; I343-T347 PolarHBondContact O-OG1 3.36Å; L344-T347 CarbonylContact O-C 3.6Å; L344-T347 PolarHBondContact O-N 3.24Å; L344-T347 PolarHBondContact O-OG1 2.85Å; R345-T347 VanDerWaalsContact C-N 3.32Å; R345-T347 PolarHBondContact O-N 3.49Å; T347-H349 VanDerWaalsContact C-N 3.31Å; T347-H349 PolarHBondContact O-N 3.35Å; T347-L350 HydrophobicContact CG2-CD1 4.37Å; T347-L350 WeakPolarHBondContact O-CB 3.47Å; T347-L350 PolarHBondContact O-N 3.42Å; T347-F371 HydrophobicContact CG2-CB 3.61Å; T347-F371 HydrophobicContact CG2-CD1 3.86Å; T347-F371 HydrophobicContact CG2-CD2 4.03Å; T347-F371 HydrophobicContact CG2-CG 3.58Å
348N96.4Very high95Very high26 Ų2635.3 Ų35.314%0.13919%0.187CC..G310 helixtrans-60.7-40.6-176.9-177.641000112.4L344 R345 L350 M351 D448 L449 I450L344-N348 PolarHBondContact O-N 3.23Å; R345-N348 WeakPolarHBondContact O-CB 3.25Å; R345-N348 PolarHBondContact O-N 3.03Å; N348-L350 PolarHBondContact O-N 3.31Å; N348-M351 WeakPolarHBondContact O-CB 3.28Å; N348-M351 PolarHBondContact O-N 3.18Å; N348-D448 PolarHBondContact ND2-O 2.93Å; N348-L449 HydrophobicContact CB-CD2 3.94Å; N348-L449 WeakPolarHBondContact OD1-CA 3.43Å; N348-I450 PolarHBondContact ND2-N 2.8Å; N348-I450 PolarHBondContact OD1-N 2.71Å
349H94.2Very high94.7Very high119 Ų11942.4 Ų42.455%0.55122%0.223SC*.G310 helixtrans-61.8-12.7178.567.6-81.3000115S346 T347 F371S346-H349 PolarHBondContact O-CE1 3.47Å; S346-H349 PolarHBondContact O-ND1 2.86Å; S346-H349 VanDerWaalsContact O-ND1 3.14Å; T347-H349 VanDerWaalsContact C-N 3.31Å; T347-H349 PolarHBondContact O-N 3.35Å; H349-F371 AromaticContact CE1-CE1 3.65Å; H349-F371 AromaticContact CE1-CZ 3.71Å; H349-F371 AromaticContact NE2-CZ 3.98Å
350L94.8Very high94.6Very high20 Ų2043.9 Ų43.911%0.10523%0.231CC..G310 helixtrans-88.1-11.5174.3-55.9178.5000112.7L157 F160 T347 N348 L360 P361L157-L350 HydrophobicContact CD1-CB 3.64Å; L157-L350 HydrophobicContact CD1-CD1 4.24Å; F160-L350 HydrophobicContact CD1-CD1 4.26Å; F160-L350 HydrophobicContact CE1-CD1 3.89Å; T347-L350 HydrophobicContact CG2-CD1 4.37Å; T347-L350 WeakPolarHBondContact O-CB 3.47Å; T347-L350 PolarHBondContact O-N 3.42Å; N348-L350 PolarHBondContact O-N 3.31Å; L350-L360 HydrophobicContact CD1-CD2 4.15Å; L350-P361 HydrophobicContact CD2-CG 4.17Å
351M94.5Very high94.1Very high11 Ų1144.2 Ų44.25%0.05423%0.234CC..  trans-77.5134.3175179.255.981.500110.6L157 N348 I450L157-M351 HydrophobicContact CD2-CB 4.24Å; L157-M351 HydrophobicContact CD2-CE 3.91Å; L157-M351 HydrophobicContact CD2-SD 4.19Å; N348-M351 WeakPolarHBondContact O-CB 3.28Å; N348-M351 PolarHBondContact O-N 3.18Å; M351-I450 HydrophobicContact CB-CD1 4.44Å; M351-I450 HydrophobicContact CG-CB 4.3Å; M351-I450 HydrophobicContact CG-CG2 4.11Å
352S92.9Very high93.4Very high40 Ų4050.1 Ų50.128%0.2826%0.261SS..  trans-149.9157.2176.9-177.10000109.5C136 S354C136-S352 VanDerWaalsContact CB-O 3.26Å; C136-S352 WeakPolarHBondContact CB-O 3.18Å; S352-S354 WeakPolarHBondContact OG-CB 3.43Å; S352-S354 PolarHBondContact OG-N 2.88Å; S352-S354 PolarHBondContact OG-OG 2.77Å; S352-S354 VanDerWaalsContact OG-OG 3.11Å
353T93.9Very high92.4Very high32 Ų3256.1 Ų56.120%0.19629%0.287CS..  trans-105.611.117151.70000113H137 Y138 P452 L455 F456H137-T353 WeakPolarHBondContact O-CA 3.43Å; Y138-T353 WeakPolarHBondContact CA-O 3.33Å; Y138-T353 WeakPolarHBondContact CB-O 3.37Å; T353-P452 HydrophobicContact CG2-CB 3.71Å; T353-L455 HydrophobicContact CG2-CB 4.25Å; T353-L455 HydrophobicContact CG2-CD1 4.24Å; T353-F456 HydrophobicContact CG2-CD1 4.22Å; T353-F456 HydrophobicContact CG2-CD2 4.19Å; T353-F456 HydrophobicContact CG2-CE1 3.88Å; T353-F456 HydrophobicContact CG2-CE2 3.84Å; T353-F456 HydrophobicContact CG2-CG 4.36Å; T353-F456 HydrophobicContact CG2-CZ 3.67Å
354S92.8Very high91.5Very high45 Ų4564 Ų6432%0.31532%0.324SS..SBendtrans-79157.3-177.1740000113.5C136 S352 V356C136-S354 WeakPolarHBondContact CB-O 3.37Å; S352-S354 WeakPolarHBondContact OG-CB 3.43Å; S352-S354 PolarHBondContact OG-N 2.88Å; S352-S354 PolarHBondContact OG-OG 2.77Å; S352-S354 VanDerWaalsContact OG-OG 3.11Å; S354-V356 PolarHBondContact O-N 3.43Å; S354-V356 PolarHBondContact OG-N 3.39Å
355K92.3Very high90.5Very high149 Ų14966.7 Ų66.765%0.64834%0.341SS*.SBendtrans-8123.3171-67.3-178.2177.6178.80113.2M135 Y138M135-K355 WeakPolarHBondContact CE-O 3.36Å; Y138-K355 HydrophobicContact CD1-CG 4.06Å; Y138-K355 HydrophobicContact CD2-CD 4.11Å; Y138-K355 HydrophobicContact CD2-CG 3.71Å; Y138-K355 HydrophobicContact CE2-CD 4.47Å; Y138-K355 HydrophobicContact CE2-CG 4.33Å; Y138-K355 HydrophobicContact CG-CD 4.45Å; Y138-K355 HydrophobicContact CG-CG 3.56Å
356V90.9Very high89.6Confident90 Ų9068.7 Ų68.755%0.54537%0.369SS..SBendtrans-99.1142.7176.8-1750000107.9C136 S354 C358C136-V356 PolarHBondContact SG-O 2.62Å; C136-V356 VanDerWaalsContact SG-O 3.32Å; S354-V356 PolarHBondContact O-N 3.43Å; S354-V356 PolarHBondContact OG-N 3.39Å; V356-C358 PolarHBondContact O-N 3.47Å
357P92.6Very high88.9Confident65 Ų6574.2 Ų74.242%0.42239%0.393SS..BIsolated β-bridgetrans-56.4134.2171.2-26.435.1000112.4T134 M135 I359T134-P357 CarbonylContact O-C 3.35Å; T134-P357 WeakPolarHBondContact O-CA 3.26Å; T134-P357 WeakPolarHBondContact O-CB 3.33Å; M135-P357 HydrophobicContact SD-CG 3.94Å; P357-I359 PolarHBondContact O-N 3.31Å
358C89.9Confident88.6Confident13 Ų1379.1 Ų79.19%0.08841%0.412CS..  trans-71.7105.1170.8-175.20000109.2T134 N156 V356 L360T134-C358 PolarHBondContact O-N 3.39Å; N156-C358 PolarHBondContact ND2-O 3.44Å; V356-C358 PolarHBondContact O-N 3.47Å; C358-L360 PolarHBondContact O-N 3.48Å
359I90.1Very high88.2Confident148 Ų14879.6 Ų79.676%0.75942%0.416SS*.  trans-80.6114.4172.3-57.7174.1000107.1P357P357-I359 PolarHBondContact O-N 3.31Å
360L92.8Very high88.1Confident35 Ų3577.2 Ų77.218%0.18341%0.408CS..PPolyproline II helixtrans-87.5148.5177.9-63.2171.3000110.4N156 L157 F160 L350 C358 E362N156-L360 HydrophobicContact CB-CD1 3.84Å; L157-L360 HydrophobicContact CD1-CD2 4.29Å; F160-L360 HydrophobicContact CB-CD1 3.72Å; F160-L360 HydrophobicContact CB-CD2 4.2Å; F160-L360 HydrophobicContact CD1-CD2 4.13Å; F160-L360 HydrophobicContact CD2-CD1 4.08Å; F160-L360 HydrophobicContact CG-CD1 4Å; F160-L360 HydrophobicContact CG-CD2 4.07Å; L350-L360 HydrophobicContact CD1-CD2 4.15Å; C358-L360 PolarHBondContact O-N 3.48Å; L360-E362 PolarHBondContact O-N 3.24Å
361P88.5Confident88.2Confident14 Ų1476.6 Ų76.69%0.09140%0.404CS..PPolyproline II helixtrans-66129.8178.5-23.836000113.1L350 R368 C369 F371L350-P361 HydrophobicContact CD2-CG 4.17Å; P361-R368 VanDerWaalsContact CB-O 3.29Å; P361-R368 WeakPolarHBondContact CB-O 3.4Å; P361-C369 HydrophobicContact CB-CB 4.04Å; P361-C369 WeakPolarHBondContact O-CB 3.41Å; P361-F371 HydrophobicContact CG-CE2 4.09Å; P361-F371 HydrophobicContact CG-CZ 4.44Å
362E82.3Confident88.1Confident125 Ų12576.2 Ų76.258%0.58440%0.402SS*.PPolyproline II helixtrans-103.3159.7179-61.1177.716800111.5L360 E364 T365L360-E362 PolarHBondContact O-N 3.24Å; E362-E364 PolarHBondContact O-N 3.4Å; E362-T365 HydrophobicContact CB-CG2 4.22Å; E362-T365 WeakPolarHBondContact O-CB 3.48Å; E362-T365 PolarHBondContact O-N 3.1Å; E362-T365 PolarHBondContact O-OG1 3.33Å
363K77Confident88.1Confident130 Ų13074.7 Ų74.757%0.56539%0.392SS*.THydrogen-bonded Turntrans-65.2-21.1-177.8-73.9169.5-179.1155.80113.6T365 E530K363-T365 VanDerWaalsContact C-N 3.32Å; K363-E530 IonicContact NZ-OE1 3.82Å; K363-E530 PolarHBondContact NZ-OE1 2.78Å; K363-E530 IonicContact NZ-OE2 3.85Å; K363-E530 PolarHBondContact NZ-OE2 3.23Å
364E77.2Confident88Confident164 Ų16476 Ų7677%0.76640%0.4SS*.THydrogen-bonded Turntrans-79.6-15.4177.6-69.167.7-157.200112.5E362E362-E364 PolarHBondContact O-N 3.4Å
365T76.6Confident87.7Confident60 Ų6075.6 Ų75.637%0.36840%0.395SS..SBendtrans-83.2161.4177.173.20000111.6E362 K363 E367E362-T365 HydrophobicContact CB-CG2 4.22Å; E362-T365 WeakPolarHBondContact O-CB 3.48Å; E362-T365 PolarHBondContact O-N 3.1Å; E362-T365 PolarHBondContact O-OG1 3.33Å; K363-T365 VanDerWaalsContact C-N 3.32Å; T365-E367 PolarHBondContact O-N 3.48Å; T365-E367 PolarHBondContact OG1-N 2.87Å
366S78.6Confident87.6Confident137 Ų13775 Ų7596%0.95840%0.399SS*.SBendtrans-82.63.9173-55.70000113.3
367E82.8Confident87.8Confident136 Ų13673 Ų7364%0.63638%0.383SS*.SBendtrans-93.8162.6-174.4-63.7178.7-177.500110.8T365 C369T365-E367 PolarHBondContact O-N 3.48Å; T365-E367 PolarHBondContact OG1-N 2.87Å; E367-C369 PolarHBondContact O-N 2.68Å
368R89.7Confident87.7Confident103 Ų10370.4 Ų70.439%0.38937%0.366SS..  trans-64.8122.3173.2-178.7176.1-179-178.90.8107.9P361 D370 F371 S372 E377P361-R368 VanDerWaalsContact CB-O 3.29Å; P361-R368 WeakPolarHBondContact CB-O 3.4Å; R368-D370 VanDerWaalsContact CG-O 3.28Å; R368-D370 WeakPolarHBondContact CG-O 3.48Å; R368-D370 PolarHBondContact NE-O 3.09Å; R368-F371 HydrophobicContact CB-CE1 4.13Å; R368-F371 HydrophobicContact CB-CZ 3.97Å; R368-F371 HydrophobicContact CG-CD1 4.07Å; R368-F371 HydrophobicContact CG-CD2 4.48Å; R368-F371 HydrophobicContact CG-CE1 3.84Å; R368-F371 HydrophobicContact CG-CE2 4.3Å; R368-F371 HydrophobicContact CG-CG 4.39Å; R368-F371 HydrophobicContact CG-CZ 3.97Å; R368-F371 WeakPolarHBondContact O-CE2 3.45Å; R368-F371 WeakPolarHBondContact O-CZ 3.24Å; R368-S372 PolarHBondContact NH2-O 2.96Å; R368-E377 IonicContact CZ-OE1 3.84Å; R368-E377 VanDerWaalsContact CZ-OE1 3.31Å; R368-E377 IonicContact NH1-OE1 3.87Å; R368-E377 PolarHBondContact NH1-OE1 2.93Å; R368-E377 IonicContact NH2-OE1 3.99Å; R368-E377 PolarHBondContact NH2-OE1 3.32Å; R368-E377 IonicContact NH2-OE2 2.68Å; R368-E377 PolarHBondContact NH2-OE2 2.54Å; R368-E377 VanDerWaalsContact NH2-OE2 3.15Å
369C88.8Confident87.8Confident36 Ų3675.1 Ų75.124%0.24339%0.386CS..  trans-115-18.4174.157.60000113.6P361 E367P361-C369 HydrophobicContact CB-CB 4.04Å; P361-C369 WeakPolarHBondContact O-CB 3.41Å; E367-C369 PolarHBondContact O-N 2.68Å
370D91.9Very high87.9Confident68 Ų6870.6 Ų70.636%0.36437%0.371SS..  trans-96.6108.5167.7-173.5-9.8000109.2R166 R368 S372R166-D370 IonicContact CZ-OD2 3.9Å; R166-D370 IonicContact NH2-OD1 2.7Å; R166-D370 IonicContact NH2-OD2 2.7Å; R166-D370 PolarHBondContact NH2-OD2 3.02Å; R368-D370 VanDerWaalsContact CG-O 3.28Å; R368-D370 WeakPolarHBondContact CG-O 3.48Å; R368-D370 PolarHBondContact NE-O 3.09Å; D370-S372 WeakPolarHBondContact OD1-CB 3.32Å; D370-S372 PolarHBondContact OD1-N 3.35Å; D370-S372 PolarHBondContact OD1-OG 3.07Å
371F95.4Very high87.9Confident7 Ų769 Ų693%0.03136%0.363CS..  trans-108.517.7177.9-67.1-88.7000112.5F160 Q164 I343 S346 T347 H349 P361 R368 A373F160-F371 AromaticContact CE1-CD2 3.66Å; F160-F371 HydrophobicContact CE1-CD2 3.66Å; F160-F371 HydrophobicContact CE1-CE2 4.08Å; F160-F371 AromaticContact CZ-CD2 3.65Å; F160-F371 HydrophobicContact CZ-CD2 3.65Å; F160-F371 AromaticContact CZ-CE2 3.99Å; F160-F371 HydrophobicContact CZ-CE2 3.99Å; Q164-F371 HydrophobicContact CG-CB 3.99Å; I343-F371 WeakPolarHBondContact CG1-O 3.37Å; S346-F371 WeakPolarHBondContact O-CE1 3.22Å; T347-F371 HydrophobicContact CG2-CB 3.61Å; T347-F371 HydrophobicContact CG2-CD1 3.86Å; T347-F371 HydrophobicContact CG2-CD2 4.03Å; T347-F371 HydrophobicContact CG2-CG 3.58Å; H349-F371 AromaticContact CE1-CE1 3.65Å; H349-F371 AromaticContact CE1-CZ 3.71Å; H349-F371 AromaticContact NE2-CZ 3.98Å; P361-F371 HydrophobicContact CG-CE2 4.09Å; P361-F371 HydrophobicContact CG-CZ 4.44Å; R368-F371 HydrophobicContact CB-CE1 4.13Å; R368-F371 HydrophobicContact CB-CZ 3.97Å; R368-F371 HydrophobicContact CG-CD1 4.07Å; R368-F371 HydrophobicContact CG-CD2 4.48Å; R368-F371 HydrophobicContact CG-CE1 3.84Å; R368-F371 HydrophobicContact CG-CE2 4.3Å; R368-F371 HydrophobicContact CG-CG 4.39Å; R368-F371 HydrophobicContact CG-CZ 3.97Å; R368-F371 WeakPolarHBondContact O-CE2 3.45Å; R368-F371 WeakPolarHBondContact O-CZ 3.24Å; F371-A373 PolarHBondContact O-N 2.7Å
372S93.2Very high88.1Confident3 Ų371 Ų712%0.02137%0.369CS..PPolyproline II helixtrans-54.9139.2165.558.10000110.4Q164 R166 R368 D370 T374Q164-S372 VanDerWaalsContact O-CB 3.26Å; Q164-S372 WeakPolarHBondContact O-CB 3.49Å; R166-S372 PolarHBondContact NE-OG 2.91Å; R166-S372 PolarHBondContact NH1-OG 3.07Å; R166-S372 PolarHBondContact NH2-OG 3.01Å; R368-S372 PolarHBondContact NH2-O 2.96Å; D370-S372 WeakPolarHBondContact OD1-CB 3.32Å; D370-S372 PolarHBondContact OD1-N 3.35Å; D370-S372 PolarHBondContact OD1-OG 3.07Å; S372-T374 PolarHBondContact O-N 2.96Å
373A92.7Very high88.4Confident8 Ų872 Ų727%0.06638%0.379CS..PPolyproline II helixtrans-68.9131-175.500000111E339 S342 F371 I378E339-A373 HydrophobicContact CG-CB 4.01Å; S342-A373 VanDerWaalsContact CB-CB 3.48Å; F371-A373 PolarHBondContact O-N 2.7Å; A373-I378 HydrophobicContact CB-CD1 3.95Å; A373-I378 HydrophobicContact CB-CG1 3.83Å
374T91Very high88.9Confident59 Ų5968 Ų6836%0.36237%0.366SS..PPolyproline II helixtrans-82.2161.1166.957.30000111.1S372 D376 E377 I378S372-T374 PolarHBondContact O-N 2.96Å; T374-D376 VanDerWaalsContact C-N 3.26Å; T374-D376 PolarHBondContact O-N 2.96Å; T374-E377 WeakPolarHBondContact CB-OE2 3.23Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.21Å; T374-E377 PolarHBondContact N-OE2 3.15Å; T374-E377 PolarHBondContact O-N 2.77Å; T374-E377 VanDerWaalsContact O-N 3.17Å; T374-E377 WeakPolarHBondContact OG1-CB 3.06Å; T374-E377 VanDerWaalsContact OG1-CD 3.25Å; T374-E377 WeakPolarHBondContact OG1-CG 3.42Å; T374-E377 PolarHBondContact OG1-N 3.04Å; T374-E377 PolarHBondContact OG1-OE2 3.37Å; T374-I378 PolarHBondContact O-N 3.25Å
375D86.3Confident89.5Confident38 Ų3861.2 Ų61.220%0.20333%0.333CS..Hα-helixtrans-58.9-39.3177.3-58.7-44000111.3L288 I378 Q379L288-D375 WeakPolarHBondContact CD1-OD2 3.34Å; D375-I378 PolarHBondContact O-N 3.31Å; D375-Q379 VanDerWaalsContact O-CB 3.27Å; D375-Q379 WeakPolarHBondContact O-CB 3.45Å; D375-Q379 PolarHBondContact O-N 2.63Å
376D91.8Very high90.1Very high136 Ų13661 Ų6173%0.72734%0.343SS*.Hα-helixtrans-64.8-41175.4-68.8-29.3000112.5T374 I378 Q379 A380T374-D376 VanDerWaalsContact C-N 3.26Å; T374-D376 PolarHBondContact O-N 2.96Å; D376-I378 VanDerWaalsContact C-N 3.34Å; D376-Q379 PolarHBondContact O-N 3.45Å; D376-A380 VanDerWaalsContact O-CB 3.31Å; D376-A380 WeakPolarHBondContact O-CB 3.45Å; D376-A380 PolarHBondContact O-N 3.19Å
377E93.7Very high90.5Very high47 Ų4755.8 Ų55.822%0.2231%0.311CS..Hα-helixtrans-66.9-33.9176.8-76.7165.9137.600112.5S342 R368 T374S342-E377 PolarHBondContact OG-O 3.35Å; S342-E377 VanDerWaalsContact OG-O 3.08Å; R368-E377 IonicContact CZ-OE1 3.84Å; R368-E377 VanDerWaalsContact CZ-OE1 3.31Å; R368-E377 IonicContact NH1-OE1 3.87Å; R368-E377 PolarHBondContact NH1-OE1 2.93Å; R368-E377 IonicContact NH2-OE1 3.99Å; R368-E377 PolarHBondContact NH2-OE1 3.32Å; R368-E377 IonicContact NH2-OE2 2.68Å; R368-E377 PolarHBondContact NH2-OE2 2.54Å; R368-E377 VanDerWaalsContact NH2-OE2 3.15Å; T374-E377 WeakPolarHBondContact CB-OE2 3.23Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.21Å; T374-E377 PolarHBondContact N-OE2 3.15Å; T374-E377 PolarHBondContact O-N 2.77Å; T374-E377 VanDerWaalsContact O-N 3.17Å; T374-E377 WeakPolarHBondContact OG1-CB 3.06Å; T374-E377 VanDerWaalsContact OG1-CD 3.25Å; T374-E377 WeakPolarHBondContact OG1-CG 3.42Å; T374-E377 PolarHBondContact OG1-N 3.04Å; T374-E377 PolarHBondContact OG1-OE2 3.37Å
378I92.1Very high90.9Very high11 Ų1153.4 Ų53.46%0.05630%0.303CS..Hα-helixtrans-72-46.4173.4-69.6172.1000109.9V297 P338 E339 S342 A373 T374 D375 D376 A380 L381 Y382V297-I378 HydrophobicContact CG1-CG2 4.46Å; P338-I378 HydrophobicContact CB-CG2 3.9Å; E339-I378 HydrophobicContact CB-CD1 4.35Å; S342-I378 WeakPolarHBondContact OG-CA 3.48Å; S342-I378 PolarHBondContact OG-N 3.3Å; A373-I378 HydrophobicContact CB-CD1 3.95Å; A373-I378 HydrophobicContact CB-CG1 3.83Å; T374-I378 PolarHBondContact O-N 3.25Å; D375-I378 PolarHBondContact O-N 3.31Å; D376-I378 VanDerWaalsContact C-N 3.34Å; I378-A380 VanDerWaalsContact C-N 3.27Å; I378-A380 PolarHBondContact O-N 3.11Å; I378-L381 WeakPolarHBondContact O-CB 3.45Å; I378-L381 PolarHBondContact O-N 3.3Å; I378-Y382 HydrophobicContact CG2-CE2 4.18Å
379Q91Very high91.2Very high112 Ų11248.7 Ų48.752%0.52329%0.285SS..Hα-helixtrans-62.5-35.1-178.9-172.85754.200112.1D375 D376 L381 Y382D375-Q379 VanDerWaalsContact O-CB 3.27Å; D375-Q379 WeakPolarHBondContact O-CB 3.45Å; D375-Q379 PolarHBondContact O-N 2.63Å; D376-Q379 PolarHBondContact O-N 3.45Å; Q379-L381 PolarHBondContact O-N 2.99Å; Q379-Y382 PolarHBondContact O-N 2.83Å; Q379-Y382 VanDerWaalsContact O-N 3.16Å
380A92.5Very high91.5Very high53 Ų5350.5 Ų50.544%0.43829%0.29SS..THydrogen-bonded Turntrans-64-14.8175.300000114.4D376 I378 P384D376-A380 VanDerWaalsContact O-CB 3.31Å; D376-A380 WeakPolarHBondContact O-CB 3.45Å; D376-A380 PolarHBondContact O-N 3.19Å; I378-A380 VanDerWaalsContact C-N 3.27Å; I378-A380 PolarHBondContact O-N 3.11Å; A380-P384 WeakPolarHBondContact O-CD 2.98Å
381L93.5Very high91.7Very high1 Ų147.7 Ų47.71%0.00528%0.275CS..THydrogen-bonded Turntrans-85.4-17.4174.7-60.8-176.2000113.6L341 S342 I378 Q379 D383 P384 F385 F389 L447L341-L381 HydrophobicContact CB-CD1 3.52Å; S342-L381 WeakPolarHBondContact OG-CD1 3.34Å; I378-L381 WeakPolarHBondContact O-CB 3.45Å; I378-L381 PolarHBondContact O-N 3.3Å; Q379-L381 PolarHBondContact O-N 2.99Å; L381-D383 VanDerWaalsContact C-N 3.28Å; L381-D383 PolarHBondContact O-N 3.05Å; L381-P384 WeakPolarHBondContact O-CD 3.24Å; L381-P384 WeakPolarHBondContact O-CG 3.38Å; L381-F385 HydrophobicContact CB-CD2 4.5Å; L381-F385 WeakPolarHBondContact O-CD2 3.49Å; L381-F385 PolarHBondContact O-N 3.34Å; L381-F389 HydrophobicContact CB-CE1 3.94Å; L381-F389 HydrophobicContact CB-CZ 3.86Å; L381-L447 HydrophobicContact CD1-CD2 4.47Å; L381-L447 HydrophobicContact CD2-CD2 3.61Å
382Y91.1Very high91.6Very high58 Ų5850.4 Ų50.423%0.22729%0.294CS..THydrogen-bonded Turntrans-66.1-30.7-177.5-82.1-105.1000112.8I378 Q379 G386 G387 F389I378-Y382 HydrophobicContact CG2-CE2 4.18Å; Q379-Y382 PolarHBondContact O-N 2.83Å; Q379-Y382 VanDerWaalsContact O-N 3.16Å; Y382-G386 CarbonylContact O-C 3.55Å; Y382-G386 PolarHBondContact O-N 3.04Å; Y382-G386 VanDerWaalsContact O-N 3.14Å; Y382-G387 PolarHBondContact O-N 2.8Å; Y382-F389 HydrophobicContact CD1-CE2 4.01Å; Y382-F389 HydrophobicContact CD2-CE2 4.02Å; Y382-F389 HydrophobicContact CD2-CZ 4.11Å; Y382-F389 AromaticContact CE1-CE2 3.92Å; Y382-F389 HydrophobicContact CE1-CE2 3.92Å; Y382-F389 AromaticContact CE2-CE2 3.93Å; Y382-F389 HydrophobicContact CE2-CE2 3.93Å; Y382-F389 HydrophobicContact CE2-CZ 4.26Å; Y382-F389 HydrophobicContact CG-CE2 4.06Å; Y382-F389 HydrophobicContact CG-CZ 4.36Å; Y382-F389 AromaticContact CZ-CE2 3.88Å
383D89Confident91.6Very high146 Ų14655.4 Ų55.478%0.78132%0.32SS*.THydrogen-bonded Turntrans-69.3-56.2178.5-169.266000113L381 F385 G386L381-D383 VanDerWaalsContact C-N 3.28Å; L381-D383 PolarHBondContact O-N 3.05Å; D383-F385 PolarHBondContact O-N 3.5Å; D383-G386 PolarHBondContact O-N 3.16Å
384P86.9Confident91.7Very high45 Ų4557.4 Ų57.429%0.29233%0.33SS..THydrogen-bonded Turntrans-63.2-23.4178.222.8-33.1000114.2A380 L381 M446A380-P384 WeakPolarHBondContact O-CD 2.98Å; L381-P384 WeakPolarHBondContact O-CD 3.24Å; L381-P384 WeakPolarHBondContact O-CG 3.38Å; P384-M446 VanDerWaalsContact O-CE 3.32Å; P384-M446 WeakPolarHBondContact O-CE 3.26Å
385F91.1Very high92Very high21 Ų2156 Ų569%0.09232%0.319CS..THydrogen-bonded Turntrans-93.55174.1-74.3-96000113.6L336 L341 L381 D383 G387 D388 F389 M446 L447L336-F385 HydrophobicContact CD1-CE1 3.86Å; L336-F385 HydrophobicContact CD1-CZ 4.42Å; L341-F385 HydrophobicContact CD1-CE1 4.05Å; L341-F385 HydrophobicContact CD1-CE2 3.99Å; L341-F385 HydrophobicContact CD1-CZ 3.59Å; L381-F385 HydrophobicContact CB-CD2 4.5Å; L381-F385 WeakPolarHBondContact O-CD2 3.49Å; L381-F385 PolarHBondContact O-N 3.34Å; D383-F385 PolarHBondContact O-N 3.5Å; F385-G387 PolarHBondContact O-N 3.34Å; F385-D388 PolarHBondContact O-N 3.42Å; F385-F389 HydrophobicContact CB-CD1 4.11Å; F385-F389 HydrophobicContact CB-CE1 3.92Å; F385-F389 HydrophobicContact CB-CZ 4.18Å; F385-F389 AromaticContact CD1-CD1 3.8Å; F385-F389 HydrophobicContact CD1-CD1 3.8Å; F385-F389 HydrophobicContact CD1-CE1 4.15Å; F385-F389 HydrophobicContact CD2-CD1 4.26Å; F385-F389 AromaticContact CD2-CE1 3.77Å; F385-F389 HydrophobicContact CD2-CE1 3.77Å; F385-F389 HydrophobicContact CE1-CD1 4.34Å; F385-F389 HydrophobicContact CE2-CE1 4.38Å; F385-F389 AromaticContact CG-CD1 3.77Å; F385-F389 HydrophobicContact CG-CD1 3.77Å; F385-F389 AromaticContact CG-CE1 3.65Å; F385-F389 HydrophobicContact CG-CE1 3.65Å; F385-F389 HydrophobicContact CG-CZ 4.38Å; F385-M446 HydrophobicContact CB-CE 4.47Å; F385-M446 HydrophobicContact CD1-CE 3.46Å; F385-M446 VanDerWaalsContact CD1-CE 3.46Å; F385-M446 HydrophobicContact CD2-CE 4.04Å; F385-M446 HydrophobicContact CE1-CE 3.46Å; F385-M446 VanDerWaalsContact CE1-CE 3.46Å; F385-M446 HydrophobicContact CE1-SD 4.16Å; F385-M446 HydrophobicContact CE2-CB 4.32Å; F385-M446 HydrophobicContact CE2-CE 4.05Å; F385-M446 HydrophobicContact CG-CE 3.76Å; F385-M446 HydrophobicContact CZ-CB 4.19Å; F385-M446 HydrophobicContact CZ-CE 3.77Å; F385-M446 HydrophobicContact CZ-SD 4.31Å; F385-L447 HydrophobicContact CE2-CD2 3.74Å; F385-L447 HydrophobicContact CE2-CG 4.16Å; F385-L447 HydrophobicContact CZ-CD1 4.42Å; F385-L447 HydrophobicContact CZ-CD2 4.2Å; F385-L447 HydrophobicContact CZ-CG 4.21Å
386G89Confident92.4Very high55 Ų5558.4 Ų58.457%0.56733%0.329SS*.THydrogen-bonded Turntrans62.912.9-17900000115.2K305 Y382 D383 D388K305-G386 PolarHBondContact NZ-O 2.93Å; K305-G386 VanDerWaalsContact NZ-O 3.12Å; Y382-G386 CarbonylContact O-C 3.55Å; Y382-G386 PolarHBondContact O-N 3.04Å; Y382-G386 VanDerWaalsContact O-N 3.14Å; D383-G386 PolarHBondContact O-N 3.16Å; G386-D388 VanDerWaalsContact C-N 3.34Å
387G87.6Confident92.5Very high28 Ų2857.6 Ų57.629%0.28932%0.315SS..THydrogen-bonded Turntrans7516.1-170.500000114.5Y382 F385Y382-G387 PolarHBondContact O-N 2.8Å; F385-G387 PolarHBondContact O-N 3.34Å
388D90.8Very high92.5Very high87 Ų8756.5 Ų56.547%0.46531%0.312SS..  trans-127.7116.7174-170.12.3000110.7F385 G386 Q390F385-D388 PolarHBondContact O-N 3.42Å; G386-D388 VanDerWaalsContact C-N 3.34Å; D388-Q390 VanDerWaalsContact C-N 3.34Å; D388-Q390 VanDerWaalsContact OD1-CB 3.27Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.45Å; D388-Q390 PolarHBondContact OD1-N 2.78Å
389F94.7Very high92.6Very high3 Ų357.4 Ų57.41%0.01332%0.321CS..  trans-95.411.8179.1-67.8-89.5000112.3V299 Y335 L336 P338 L341 L381 Y382 F385 V391V299-F389 HydrophobicContact CB-CB 4.48Å; V299-F389 HydrophobicContact CG1-CD2 3.83Å; V299-F389 HydrophobicContact CG1-CG 4.47Å; V299-F389 HydrophobicContact CG2-CB 4.1Å; Y335-F389 CarbonylContact C-O 3.52Å; Y335-F389 VanDerWaalsContact CA-O 3.3Å; Y335-F389 WeakPolarHBondContact CA-O 3.26Å; L336-F389 PolarHBondContact N-O 3.32Å; P338-F389 HydrophobicContact CB-CE1 4.3Å; P338-F389 HydrophobicContact CB-CZ 4.25Å; P338-F389 HydrophobicContact CG-CD1 4.11Å; P338-F389 HydrophobicContact CG-CD2 4.05Å; P338-F389 HydrophobicContact CG-CE1 4.09Å; P338-F389 HydrophobicContact CG-CE2 4.02Å; P338-F389 HydrophobicContact CG-CG 4.09Å; P338-F389 HydrophobicContact CG-CZ 4.04Å; L341-F389 HydrophobicContact CD1-CD1 4.01Å; L341-F389 HydrophobicContact CD1-CE1 4.15Å; L381-F389 HydrophobicContact CB-CE1 3.94Å; L381-F389 HydrophobicContact CB-CZ 3.86Å; Y382-F389 HydrophobicContact CD1-CE2 4.01Å; Y382-F389 HydrophobicContact CD2-CE2 4.02Å; Y382-F389 HydrophobicContact CD2-CZ 4.11Å; Y382-F389 AromaticContact CE1-CE2 3.92Å; Y382-F389 HydrophobicContact CE1-CE2 3.92Å; Y382-F389 AromaticContact CE2-CE2 3.93Å; Y382-F389 HydrophobicContact CE2-CE2 3.93Å; Y382-F389 HydrophobicContact CE2-CZ 4.26Å; Y382-F389 HydrophobicContact CG-CE2 4.06Å; Y382-F389 HydrophobicContact CG-CZ 4.36Å; Y382-F389 AromaticContact CZ-CE2 3.88Å; F385-F389 HydrophobicContact CB-CD1 4.11Å; F385-F389 HydrophobicContact CB-CE1 3.92Å; F385-F389 HydrophobicContact CB-CZ 4.18Å; F385-F389 AromaticContact CD1-CD1 3.8Å; F385-F389 HydrophobicContact CD1-CD1 3.8Å; F385-F389 HydrophobicContact CD1-CE1 4.15Å; F385-F389 HydrophobicContact CD2-CD1 4.26Å; F385-F389 AromaticContact CD2-CE1 3.77Å; F385-F389 HydrophobicContact CD2-CE1 3.77Å; F385-F389 HydrophobicContact CE1-CD1 4.34Å; F385-F389 HydrophobicContact CE2-CE1 4.38Å; F385-F389 AromaticContact CG-CD1 3.77Å; F385-F389 HydrophobicContact CG-CD1 3.77Å; F385-F389 AromaticContact CG-CE1 3.65Å; F385-F389 HydrophobicContact CG-CE1 3.65Å; F385-F389 HydrophobicContact CG-CZ 4.38Å; F389-V391 PolarHBondContact O-N 2.78Å
390Q95.5Very high92.7Very high74 Ų7455.8 Ų55.835%0.34633%0.327SS..BIsolated β-bridgetrans-58.8133.6175.1-167.2-178.2-61.600110.3N333 Y335 D388 P392N333-Q390 HydrophobicContact CB-CG 3.94Å; N333-Q390 VanDerWaalsContact ND2-CD 3.31Å; N333-Q390 PolarHBondContact ND2-NE2 3.37Å; N333-Q390 PolarHBondContact ND2-OE1 3.25Å; Y335-Q390 VanDerWaalsContact CD1-CA 3.45Å; Y335-Q390 HydrophobicContact CD1-CB 3.87Å; Y335-Q390 HydrophobicContact CD1-CG 4.44Å; Y335-Q390 VanDerWaalsContact CD1-N 3.34Å; Y335-Q390 HydrophobicContact CE1-CB 3.61Å; Y335-Q390 HydrophobicContact CE1-CG 4.08Å; D388-Q390 VanDerWaalsContact C-N 3.34Å; D388-Q390 VanDerWaalsContact OD1-CB 3.27Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.45Å; D388-Q390 PolarHBondContact OD1-N 2.78Å; Q390-P392 WeakPolarHBondContact O-CD 3.3Å
391V95.9Very high92.7Very high9 Ų955.8 Ų55.86%0.05532%0.319CS..PPolyproline II helixtrans-66.8122.5171.6178.40000108.5W100 W106 L334 L336 F389W100-V391 HydrophobicContact CZ2-CB 4.27Å; W100-V391 HydrophobicContact CZ2-CG1 3.58Å; W106-V391 HydrophobicContact CE3-CG1 3.89Å; W106-V391 HydrophobicContact CH2-CG1 3.78Å; W106-V391 HydrophobicContact CH2-CG2 4.28Å; W106-V391 HydrophobicContact CZ3-CB 4.5Å; W106-V391 HydrophobicContact CZ3-CG1 3.27Å; W106-V391 HydrophobicContact CZ3-CG2 4.44Å; L334-V391 HydrophobicContact CB-CB 4.26Å; L334-V391 HydrophobicContact CB-CG2 4.18Å; L334-V391 HydrophobicContact CD2-CB 4.49Å; L334-V391 HydrophobicContact CD2-CG2 4.08Å; L334-V391 HydrophobicContact CG-CB 4.42Å; L334-V391 HydrophobicContact CG-CG2 3.87Å; L334-V391 PolarHBondContact O-N 3.32Å; L336-V391 HydrophobicContact CD2-CG2 3.88Å; L336-V391 HydrophobicContact CG-CG2 3.95Å; F389-V391 PolarHBondContact O-N 2.78Å
392P94.1Very high92.6Very high65 Ų6557.4 Ų57.442%0.42233%0.325SS..PPolyproline II helixtrans-69.8148.8176.929-34.4000111W100 Q390 N394W100-P392 PolarHBondContact NE1-O 3.46Å; Q390-P392 WeakPolarHBondContact O-CD 3.3Å; P392-N394 VanDerWaalsContact C-N 3.25Å; P392-N394 HydrophobicContact CB-CB 4.32Å; P392-N394 HydrophobicContact CG-CB 4.3Å; P392-N394 PolarHBondContact O-N 2.87Å; P392-N394 PolarHBondContact O-OD1 3.5Å
393D92.9Very high92.5Very high108 Ų10858.9 Ų58.958%0.57833%0.333SS*.  trans-79.777170.2-161-1.6000108.5R74R74-D393 IonicContact NH1-OD2 3.61Å; R74-D393 IonicContact NH2-OD2 3.18Å; R74-D393 PolarHBondContact NH2-OD2 2.86Å
394N94.9Very high92.1Very high50 Ų5054.6 Ų54.627%0.26731%0.313SS..  trans-119.634.5-173.170.4-23.2000112.8P392 E396 Q439P392-N394 VanDerWaalsContact C-N 3.25Å; P392-N394 HydrophobicContact CB-CB 4.32Å; P392-N394 HydrophobicContact CG-CB 4.3Å; P392-N394 PolarHBondContact O-N 2.87Å; P392-N394 PolarHBondContact O-OD1 3.5Å; N394-E396 PolarHBondContact O-N 3.49Å; N394-Q439 WeakPolarHBondContact O-CG 3.4Å
395F97.3Very high91.4Very high28 Ų2859 Ų5912%0.12333%0.334CS..  trans-61.1131.7171.1172.3-109.1000111Y69 E71 W100 V101 P103 R397Y69-F395 HydrophobicContact CD2-CE2 4.1Å; Y69-F395 AromaticContact CD2-CZ 3.73Å; Y69-F395 HydrophobicContact CD2-CZ 3.73Å; Y69-F395 HydrophobicContact CE2-CE2 4.22Å; Y69-F395 AromaticContact CE2-CZ 3.93Å; Y69-F395 HydrophobicContact CE2-CZ 3.93Å; E71-F395 HydrophobicContact CG-CE1 4.03Å; W100-F395 HydrophobicContact CB-CB 3.9Å; W100-F395 HydrophobicContact CB-CD2 4.2Å; W100-F395 HydrophobicContact CB-CG 4.49Å; V101-F395 VanDerWaalsContact C-CE2 3.46Å; V101-F395 WeakPolarHBondContact O-CE2 3.43Å; P103-F395 HydrophobicContact CG-CD1 3.7Å; P103-F395 HydrophobicContact CG-CE1 4.21Å; P103-F395 HydrophobicContact CG-CG 4.31Å; F395-R397 HydrophobicContact CE1-CG 3.8Å; F395-R397 HydrophobicContact CZ-CG 3.73Å
396E94.5Very high90.1Very high90 Ų9062.7 Ų62.742%0.42135%0.352SS..  trans-134.6141.2172.9-170.5178.9158.200109.4N394 T398 P438N394-E396 PolarHBondContact O-N 3.49Å; E396-T398 PolarHBondContact O-N 3.28Å; E396-P438 WeakPolarHBondContact OE2-CG 3.28Å
397R95.1Very high88.5Confident118 Ų11860.8 Ų60.845%0.44533%0.329SS..  trans-80.3107.6179.7-74.1177.9-71.2-177.2-3.6110.7Y69 E71 F395Y69-R397 HydrophobicContact CE1-CB 4.39Å; Y69-R397 HydrophobicContact CE1-CG 4.14Å; Y69-R397 HydrophobicContact CE2-CB 4.31Å; Y69-R397 HydrophobicContact CE2-CG 4.05Å; Y69-R397 VanDerWaalsContact O-CD 3.25Å; Y69-R397 WeakPolarHBondContact O-CD 3.47Å; Y69-R397 WeakPolarHBondContact O-CG 3.34Å; Y69-R397 VanDerWaalsContact OH-C 3.26Å; Y69-R397 VanDerWaalsContact OH-CA 3.28Å; Y69-R397 WeakPolarHBondContact OH-CA 3.47Å; Y69-R397 WeakPolarHBondContact OH-CB 3.11Å; E71-R397 IonicContact OE1-CZ 3.39Å; E71-R397 IonicContact OE1-NE 2.68Å; E71-R397 PolarHBondContact OE1-NE 3.33Å; E71-R397 IonicContact OE1-NH2 2.69Å; E71-R397 PolarHBondContact OE1-NH2 3.07Å; F395-R397 HydrophobicContact CE1-CG 3.8Å; F395-R397 HydrophobicContact CZ-CG 3.73Å
398T93.5Very high86.7Confident25 Ų2564.4 Ų64.415%0.15334%0.342CS..  trans-88.4-8.1-175.658.80000115.4R45 Y69 E94 E396 F435 N437R45-T398 PolarHBondContact NH1-OG1 3.1Å; Y69-T398 PolarHBondContact OH-N 2.88Å; E94-T398 VanDerWaalsContact OE2-CB 3.26Å; E94-T398 WeakPolarHBondContact OE2-CB 3.48Å; E94-T398 PolarHBondContact OE2-OG1 3.47Å; E396-T398 PolarHBondContact O-N 3.28Å; T398-F435 HydrophobicContact CG2-CD1 3.83Å; T398-F435 HydrophobicContact CG2-CE1 3.36Å; T398-F435 HydrophobicContact CG2-CZ 4.3Å; T398-N437 WeakPolarHBondContact CG2-ND2 3.37Å
399A93Very high84.7Confident29 Ų2967.6 Ų67.624%0.2435%0.354CS..SBendtrans-142.4160.8177.600000112.3Y69Y69-A399 WeakPolarHBondContact CE1-O 3.46Å; Y69-A399 PolarHBondContact OH-N 3.33Å; Y69-A399 PolarHBondContact OH-O 2.96Å
400A92.7Very high82.5Confident79 Ų7974 Ų7465%0.65339%0.386SS*.PPolyproline II helixtrans-59.8140.6177.600000112.5N46N46-A400 WeakPolarHBondContact CB-O 3.31Å; N46-A400 PolarHBondContact ND2-O 2.81Å
401I93Very high80.3Confident53 Ų5372.8 Ų72.827%0.27238%0.382SS..PPolyproline II helixtrans-71.2145.4176.658.7171.4000111.7Y69 A70 K403Y69-I401 HydrophobicContact CD1-CG2 4.22Å; Y69-I401 HydrophobicContact CE1-CG2 4.02Å; A70-I401 HydrophobicContact CB-CB 4.16Å; A70-I401 HydrophobicContact CB-CG2 3.79Å; I401-K403 HydrophobicContact CD1-CG 4.25Å; I401-K403 HydrophobicContact CG1-CG 4.11Å
402Y93Very high77.9Confident34 Ų3477.9 Ų77.913%0.13341%0.413CS..PPolyproline II helixtrans-67.5137.5167.7-177.4-131000111R45 P47 M62 W66 P404R45-Y402 WeakPolarHBondContact O-CB 3.12Å; R45-Y402 PolarHBondContact O-N 3.03Å; P47-Y402 HydrophobicContact CG-CD2 3.67Å; P47-Y402 HydrophobicContact CG-CE2 3.72Å; M62-Y402 HydrophobicContact CB-CD1 4.46Å; M62-Y402 HydrophobicContact CB-CE1 4.3Å; M62-Y402 HydrophobicContact CE-CD1 3.97Å; M62-Y402 HydrophobicContact CE-CG 3.92Å; M62-Y402 HydrophobicContact CG-CD1 4Å; M62-Y402 HydrophobicContact CG-CE1 3.76Å; M62-Y402 HydrophobicContact CG-CG 4.48Å; M62-Y402 HydrophobicContact SD-CD1 4.46Å; M62-Y402 HydrophobicContact SD-CG 4.41Å; W66-Y402 AromaticContact CD2-CD1 3.69Å; W66-Y402 HydrophobicContact CD2-CD1 3.69Å; W66-Y402 HydrophobicContact CD2-CG 4.44Å; W66-Y402 AromaticContact CE2-CD1 3.8Å; W66-Y402 HydrophobicContact CE3-CD1 4Å; W66-Y402 HydrophobicContact CG-CD1 4.06Å; W66-Y402 HydrophobicContact CH2-CD1 4.49Å; W66-Y402 HydrophobicContact CZ2-CD1 4.21Å; W66-Y402 HydrophobicContact CZ3-CD1 4.39Å; Y402-P404 HydrophobicContact CE1-CB 3.9Å; Y402-P404 HydrophobicContact CE1-CG 4.23Å
403K87.4Confident75.7Confident90 Ų9083.5 Ų83.539%0.39143%0.431SS..  trans-135.192.4177.7-65.3-179.7-177.4176.10110.2I401 N405 E406I401-K403 HydrophobicContact CD1-CG 4.25Å; I401-K403 HydrophobicContact CG1-CG 4.11Å; K403-N405 PolarHBondContact O-N 3.18Å; K403-N405 VanDerWaalsContact O-N 3.09Å; K403-E406 HydrophobicContact CB-CB 4.12Å; K403-E406 HydrophobicContact CB-CG 4.24Å; K403-E406 HydrophobicContact CD-CB 4.49Å; K403-E406 HydrophobicContact CD-CG 3.99Å; K403-E406 VanDerWaalsContact CD-OE1 3.27Å; K403-E406 WeakPolarHBondContact CD-OE1 3.15Å; K403-E406 WeakPolarHBondContact CD-OE2 3.25Å; K403-E406 IonicContact NZ-OE1 3.75Å; K403-E406 PolarHBondContact NZ-OE1 2.85Å; K403-E406 IonicContact NZ-OE2 3.27Å; K403-E406 PolarHBondContact NZ-OE2 2.94Å; K403-E406 PolarHBondContact O-N 3.37Å
404P81.7Confident73.6Confident55 Ų5584.8 Ų84.836%0.35744%0.443SS..THydrogen-bonded Turntrans-58.7-29.5-172.420.2-31.8000113.9W66 Y402 T407W66-P404 HydrophobicContact CH2-CG 4.08Å; Y402-P404 HydrophobicContact CE1-CB 3.9Å; Y402-P404 HydrophobicContact CE1-CG 4.23Å; P404-T407 PolarHBondContact O-OG1 2.44Å
405N72.5Confident71.7Confident137 Ų13787.1 Ų87.173%0.73346%0.459SS*.THydrogen-bonded Turntrans-88.5-16.8-176.3-61-20.9000114.4K403 T407K403-N405 PolarHBondContact O-N 3.18Å; K403-N405 VanDerWaalsContact O-N 3.09Å; N405-T407 VanDerWaalsContact C-N 3.27Å; N405-T407 PolarHBondContact O-N 3.08Å
406E63.6Low69.8Low99 Ų9991.7 Ų91.746%0.46349%0.494SS..G310 helixtrans-75.8-18.4177.3-80-173.7-170.800112.3K403 D408 Q409K403-E406 HydrophobicContact CB-CB 4.12Å; K403-E406 HydrophobicContact CB-CG 4.24Å; K403-E406 HydrophobicContact CD-CB 4.49Å; K403-E406 HydrophobicContact CD-CG 3.99Å; K403-E406 VanDerWaalsContact CD-OE1 3.27Å; K403-E406 WeakPolarHBondContact CD-OE1 3.15Å; K403-E406 WeakPolarHBondContact CD-OE2 3.25Å; K403-E406 IonicContact NZ-OE1 3.75Å; K403-E406 PolarHBondContact NZ-OE1 2.85Å; K403-E406 IonicContact NZ-OE2 3.27Å; K403-E406 PolarHBondContact NZ-OE2 2.94Å; K403-E406 PolarHBondContact O-N 3.37Å; E406-D408 PolarHBondContact O-N 3.15Å; E406-D408 VanDerWaalsContact O-N 3.1Å; E406-Q409 WeakPolarHBondContact O-CB 3.47Å; E406-Q409 PolarHBondContact O-N 3.46Å
407T55.1Low68.3Low16 Ų1691.6 Ų91.610%0.09850%0.5CS..G310 helixtrans-56.9-25.6176-14.60000113.7P404 N405 Q409 M410 I419 Q424P404-T407 PolarHBondContact O-OG1 2.44Å; N405-T407 VanDerWaalsContact C-N 3.27Å; N405-T407 PolarHBondContact O-N 3.08Å; T407-Q409 VanDerWaalsContact C-N 3.26Å; T407-Q409 PolarHBondContact O-N 2.81Å; T407-M410 PolarHBondContact O-N 2.83Å; T407-I419 HydrophobicContact CG2-CB 4.04Å; T407-I419 HydrophobicContact CG2-CD1 4.4Å; T407-I419 HydrophobicContact CG2-CG1 4.42Å; T407-Q424 HydrophobicContact CG2-CG 4.25Å
408D50.3Low67.1Low103 Ų10390.3 Ų90.355%0.55151%0.507SS*.G310 helixtrans-67-24.3174.6-79.3-23.2000113.1E406 N411E406-D408 PolarHBondContact O-N 3.15Å; E406-D408 VanDerWaalsContact O-N 3.1Å; D408-N411 WeakPolarHBondContact O-CB 3.45Å; D408-N411 PolarHBondContact O-N 3.35Å
409Q47.4Very low66.4Low154 Ų15491.1 Ų91.172%0.7251%0.51SS*.THydrogen-bonded Turntrans-79-23.1179.3-59.2-167.527.700112.9E406 T407 N411E406-Q409 WeakPolarHBondContact O-CB 3.47Å; E406-Q409 PolarHBondContact O-N 3.46Å; T407-Q409 VanDerWaalsContact C-N 3.26Å; T407-Q409 PolarHBondContact O-N 2.81Å; Q409-N411 PolarHBondContact O-N 2.68Å
410M50Low66.2Low138 Ų13892.4 Ų92.468%0.6852%0.517SS*.THydrogen-bonded Turntrans-67-18.7169.9-77.2-165.9176.100112.6T407 T412 I419T407-M410 PolarHBondContact O-N 2.83Å; M410-T412 PolarHBondContact O-N 3.33Å; M410-I419 HydrophobicContact CB-CD1 3.82Å; M410-I419 HydrophobicContact SD-CD1 4.1Å
411N48.8Very low66Low49 Ų4990.7 Ų90.726%0.26250%0.497SS..  trans-74.848.7175.6-80.2-34000113.3D408 Q409 K413 T417D408-N411 WeakPolarHBondContact O-CB 3.45Å; D408-N411 PolarHBondContact O-N 3.35Å; Q409-N411 PolarHBondContact O-N 2.68Å; N411-K413 VanDerWaalsContact C-N 3.32Å; N411-K413 PolarHBondContact O-N 2.8Å; N411-T417 PolarHBondContact ND2-O 3.05Å; N411-T417 VanDerWaalsContact ND2-O 3.12Å
412T44.5Very low65.9Low116 Ų11690.5 Ų90.571%0.71250%0.498SS*.  trans-70.789.9165.756.90000110.5M410M410-T412 PolarHBondContact O-N 3.33Å
413K48.9Very low65.7Low182 Ų18294.3 Ų94.379%0.79152%0.517SS*.SBendtrans100.1107.6175-56.2157.5-174.4167.50115N411N411-K413 VanDerWaalsContact C-N 3.32Å; N411-K413 PolarHBondContact O-N 2.8Å
414T49.3Very low65.8Low136 Ų13691.3 Ų91.383%0.83450%0.504SS*.SBendtrans64.250.5145.156.50000119
415T54.6Low66.2Low98 Ų9888.7 Ų88.760%0.60149%0.487SS*.  trans-161.4136.9137.5190000109.3T417T415-T417 PolarHBondContact O-N 3.26Å
416S57.5Low66.9Low124 Ų12486.8 Ų86.887%0.86748%0.477SS*.  trans-88.136.4-178.762.40000112.9
417T62.9Low68Low89 Ų8985.1 Ų85.155%0.54648%0.48SS..  trans-112.2127.9-176-46.80000108.6N411 T415N411-T417 PolarHBondContact ND2-O 3.05Å; N411-T417 VanDerWaalsContact ND2-O 3.12Å; T415-T417 PolarHBondContact O-N 3.26Å
418P68.6Low69.4Low90 Ų9086.9 Ų86.958%0.58449%0.489SS*.PPolyproline II helixtrans-58.8141.7171.7-24.434.6000111.4S420P418-S420 PolarHBondContact O-N 3.21Å
419I80.5Confident70.7Confident42 Ų4284.7 Ų84.722%0.21548%0.477CS..PPolyproline II helixtrans-65.2130.5173.8-58.9176.9000108.2T407 M410 Q423 Q424T407-I419 HydrophobicContact CG2-CB 4.04Å; T407-I419 HydrophobicContact CG2-CD1 4.4Å; T407-I419 HydrophobicContact CG2-CG1 4.42Å; M410-I419 HydrophobicContact CB-CD1 3.82Å; M410-I419 HydrophobicContact SD-CD1 4.1Å; I419-Q423 HydrophobicContact CG2-CB 3.4Å; I419-Q423 VanDerWaalsContact CG2-CB 3.4Å; I419-Q423 HydrophobicContact CG2-CG 4.44Å; I419-Q424 HydrophobicContact CB-CG 4.23Å; I419-Q424 HydrophobicContact CG2-CG 3.83Å; I419-Q424 PolarHBondContact O-NE2 3.32Å
420S87.8Confident71.6Confident56 Ų5686.5 Ų86.539%0.39248%0.482SS..PPolyproline II helixtrans-68152.8-176.976.70000111.9P418 V422 Q423 Q424P418-S420 PolarHBondContact O-N 3.21Å; S420-V422 PolarHBondContact O-N 3.35Å; S420-V422 VanDerWaalsContact O-N 3.15Å; S420-Q423 WeakPolarHBondContact O-CA 3.18Å; S420-Q423 WeakPolarHBondContact O-CB 3.46Å; S420-Q423 PolarHBondContact O-N 3.17Å; S420-Q423 WeakPolarHBondContact OG-CG 3.48Å; S420-Q423 PolarHBondContact OG-N 3.39Å; S420-Q423 PolarHBondContact OG-OE1 2.64Å; S420-Q424 WeakPolarHBondContact O-CG 3.47Å; S420-Q424 PolarHBondContact O-N 3.11Å
421L89Confident72.2Confident44 Ų4486.6 Ų86.623%0.2348%0.481CS..Hα-helixtrans-54.2-36.8177.9-75.2176.7000112.5P47 L50 M62 Q423 Q424 A425P47-L421 HydrophobicContact CG-CD2 4.36Å; L50-L421 HydrophobicContact CD1-CB 4.43Å; M62-L421 HydrophobicContact CG-CD1 4.31Å; M62-L421 HydrophobicContact CG-CD2 3.79Å; M62-L421 HydrophobicContact SD-CD2 4.48Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 3.02Å; L421-Q424 PolarHBondContact O-N 3.02Å; L421-A425 WeakPolarHBondContact O-CB 3.46Å; L421-A425 PolarHBondContact O-N 2.72Å
422V89.7Confident73.1Confident48 Ų4885.7 Ų85.729%0.29148%0.476SS..Hα-helixtrans-64.4-36.8175.3-178.30000111.8S57 Y60 S420 N426S57-V422 WeakPolarHBondContact O-CG2 3.41Å; Y60-V422 HydrophobicContact CD2-CG2 4.02Å; S420-V422 PolarHBondContact O-N 3.35Å; S420-V422 VanDerWaalsContact O-N 3.15Å; V422-N426 WeakPolarHBondContact O-CB 3.31Å; V422-N426 VanDerWaalsContact O-CG 3.27Å; V422-N426 PolarHBondContact O-N 2.87Å; V422-N426 VanDerWaalsContact O-N 3.12Å; V422-N426 PolarHBondContact O-ND2 3.05Å
423Q89.5Confident74.4Confident114 Ų11488.3 Ų88.353%0.53348%0.48SS..Hα-helixtrans-71.8-41.4175.2-72.2169.6-43.700111.7I419 S420 L421 N426 A427I419-Q423 HydrophobicContact CG2-CB 3.4Å; I419-Q423 VanDerWaalsContact CG2-CB 3.4Å; I419-Q423 HydrophobicContact CG2-CG 4.44Å; S420-Q423 WeakPolarHBondContact O-CA 3.18Å; S420-Q423 WeakPolarHBondContact O-CB 3.46Å; S420-Q423 PolarHBondContact O-N 3.17Å; S420-Q423 WeakPolarHBondContact OG-CG 3.48Å; S420-Q423 PolarHBondContact OG-N 3.39Å; S420-Q423 PolarHBondContact OG-OE1 2.64Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 3.02Å; Q423-N426 PolarHBondContact O-N 3.37Å; Q423-A427 WeakPolarHBondContact O-CB 3.11Å; Q423-A427 PolarHBondContact O-N 2.92Å
424Q90Very high76.1Confident27 Ų2780.9 Ų80.913%0.12645%0.449CS..Hα-helixtrans-61.6-49.5175.6-62.3178.239.700111.1P47 T407 I419 S420 L421 N426 A427 L428P47-Q424 HydrophobicContact CB-CB 3.86Å; P47-Q424 HydrophobicContact CG-CB 4.15Å; T407-Q424 HydrophobicContact CG2-CG 4.25Å; I419-Q424 HydrophobicContact CB-CG 4.23Å; I419-Q424 HydrophobicContact CG2-CG 3.83Å; I419-Q424 PolarHBondContact O-NE2 3.32Å; S420-Q424 WeakPolarHBondContact O-CG 3.47Å; S420-Q424 PolarHBondContact O-N 3.11Å; L421-Q424 PolarHBondContact O-N 3.02Å; Q424-N426 PolarHBondContact O-N 3.48Å; Q424-A427 PolarHBondContact O-N 3.22Å; Q424-A427 VanDerWaalsContact O-N 3.16Å; Q424-L428 PolarHBondContact O-N 3.43Å
425A90.2Very high77.8Confident0 Ų078.2 Ų78.20%043%0.426CS..Hα-helixtrans-56.5-49.317700000111.9P47 L50 T51 Y60 L421 A427 L428 N429P47-A425 HydrophobicContact CB-CB 4.48Å; P47-A425 VanDerWaalsContact O-CA 3.23Å; P47-A425 WeakPolarHBondContact O-CA 3.43Å; P47-A425 WeakPolarHBondContact O-CB 3.42Å; L50-A425 HydrophobicContact CB-CB 4.31Å; L50-A425 HydrophobicContact CD1-CB 4.41Å; T51-A425 HydrophobicContact CG2-CB 3.8Å; Y60-A425 HydrophobicContact CE2-CB 4.31Å; L421-A425 WeakPolarHBondContact O-CB 3.46Å; L421-A425 PolarHBondContact O-N 2.72Å; A425-A427 VanDerWaalsContact C-N 3.3Å; A425-A427 PolarHBondContact O-N 3.02Å; A425-L428 PolarHBondContact O-N 2.75Å; A425-N429 WeakPolarHBondContact O-CB 3.37Å; A425-N429 PolarHBondContact O-N 3Å
426N87Confident79.4Confident97 Ų9774.4 Ų74.452%0.51940%0.403SS..Hα-helixtrans-65.9-28.2178-77.2-47.5000114V422 Q423 Q424V422-N426 WeakPolarHBondContact O-CB 3.31Å; V422-N426 VanDerWaalsContact O-CG 3.27Å; V422-N426 PolarHBondContact O-N 2.87Å; V422-N426 VanDerWaalsContact O-N 3.12Å; V422-N426 PolarHBondContact O-ND2 3.05Å; Q423-N426 PolarHBondContact O-N 3.37Å; Q424-N426 PolarHBondContact O-N 3.48Å
427A86.2Confident81.2Confident64 Ų6468.5 Ų68.553%0.52936%0.361SS..Hα-helixtrans-71.4-50175.300000111.1Q423 Q424 A425 N429Q423-A427 WeakPolarHBondContact O-CB 3.11Å; Q423-A427 PolarHBondContact O-N 2.92Å; Q424-A427 PolarHBondContact O-N 3.22Å; Q424-A427 VanDerWaalsContact O-N 3.16Å; A425-A427 VanDerWaalsContact C-N 3.3Å; A425-A427 PolarHBondContact O-N 3.02Å; A427-N429 VanDerWaalsContact C-N 3.34Å; A427-N429 PolarHBondContact O-N 3.25Å
428L84Confident82.7Confident54 Ų5466.2 Ų66.228%0.28335%0.348SS..Hα-helixtrans-75.2-18.3-178.8-61174.5000113.6P47 Q424 A425 K430 E431P47-L428 HydrophobicContact CB-CD1 4.32Å; Q424-L428 PolarHBondContact O-N 3.43Å; A425-L428 PolarHBondContact O-N 2.75Å; L428-K430 PolarHBondContact O-N 3.03Å; L428-E431 PolarHBondContact O-N 3.06Å
429N78.4Confident84Confident57 Ų5762.4 Ų62.431%0.30532%0.323SS..G310 helixtrans-54.8-23.5177.7-165.753.6000114.1T51 A425 A427 E431 Q432T51-N429 VanDerWaalsContact CB-OD1 3.28Å; T51-N429 WeakPolarHBondContact CB-OD1 3.42Å; T51-N429 HydrophobicContact CG2-CB 4.05Å; T51-N429 PolarHBondContact OG1-OD1 2.98Å; A425-N429 WeakPolarHBondContact O-CB 3.37Å; A425-N429 PolarHBondContact O-N 3Å; A427-N429 VanDerWaalsContact C-N 3.34Å; A427-N429 PolarHBondContact O-N 3.25Å; N429-E431 VanDerWaalsContact C-N 3.3Å; N429-Q432 PolarHBondContact OD1-OE1 3.15Å
430K65.8Low84.8Confident191 Ų19160.4 Ų60.483%0.8331%0.312SS*.G310 helixtrans-76.2-17.3177.2-64.1-176.3-178.81780113.8L428L428-K430 PolarHBondContact O-N 3.03Å
431E63.3Low85.2Confident140 Ų14058.3 Ų58.365%0.65430%0.296SS*.G310 helixtrans-98.24.6-178.5-62.5176.8174.800111.9L428 N429 Q433L428-E431 PolarHBondContact O-N 3.06Å; N429-E431 VanDerWaalsContact C-N 3.3Å; E431-Q433 VanDerWaalsContact C-N 3.27Å; E431-Q433 PolarHBondContact O-N 3.05Å
432Q67.3Low85.5Confident31 Ų3158.9 Ų58.915%0.14530%0.299CS..  trans-6687173.1-75.3-172.5-10.400111.1S48 T51 P141 N429S48-Q432 PolarHBondContact O-NE2 3.34Å; T51-Q432 PolarHBondContact OG1-NE2 3.05Å; P141-Q432 HydrophobicContact CB-CB 4.37Å; N429-Q432 PolarHBondContact OD1-OE1 3.15Å
433Q72.4Confident85.7Confident170 Ų17057.4 Ų57.479%0.79429%0.29SS*.  trans-90.4138.1167.4-62.6-175.610.600108.6E431 F435E431-Q433 VanDerWaalsContact C-N 3.27Å; E431-Q433 PolarHBondContact O-N 3.05Å; Q433-F435 PolarHBondContact O-N 2.88Å
434L84.2Confident86.1Confident27 Ų2752 Ų5214%0.14126%0.264CS..  trans-61.2131165.6172.868.9000109N453 F456 L457L434-N453 HydrophobicContact CD1-CB 4.21Å; L434-F456 HydrophobicContact CD2-CB 3.21Å; L434-F456 HydrophobicContact CD2-CG 4.31Å; L434-L457 HydrophobicContact CB-CD2 4.14Å; L434-L457 HydrophobicContact CD2-CD2 3.86Å; L434-L457 HydrophobicContact CD2-CG 3.66Å; L434-L457 HydrophobicContact CG-CD2 4.08Å; L434-L457 HydrophobicContact CG-CG 4Å
435F85.4Confident86.3Confident80 Ų8051 Ų5135%0.35126%0.26SS..  trans-123151.4-179.5-173.9-101.3000110.5T398 Q433T398-F435 HydrophobicContact CG2-CD1 3.83Å; T398-F435 HydrophobicContact CG2-CE1 3.36Å; T398-F435 HydrophobicContact CG2-CZ 4.3Å; Q433-F435 PolarHBondContact O-N 2.88Å
436S88.2Confident86.4Confident17 Ų1752.7 Ų52.712%0.11927%0.269CS..  trans-112.3110.1177.1-159.50000108.9E441 N451S436-E441 VanDerWaalsContact CB-OE1 3.22Å; S436-E441 WeakPolarHBondContact CB-OE1 3.35Å; S436-E441 PolarHBondContact OG-OE1 2.83Å; S436-N451 PolarHBondContact OG-ND2 3.42Å
437N94.8Very high86.7Confident0 Ų048 Ų480%024%0.244CC..  trans-68.7131.3-172-163.5-62.4000111.5E94 L95 T398 Q439 T440 E441E94-N437 HydrophobicContact CB-CB 4.11Å; E94-N437 WeakPolarHBondContact O-CB 3.44Å; L95-N437 HydrophobicContact CD2-CB 3.94Å; T398-N437 WeakPolarHBondContact CG2-ND2 3.37Å; N437-Q439 PolarHBondContact O-N 2.91Å; N437-Q439 VanDerWaalsContact O-N 3.12Å; N437-Q439 WeakPolarHBondContact OD1-CB 3.36Å; N437-Q439 WeakPolarHBondContact OD1-CG 3.41Å; N437-Q439 PolarHBondContact OD1-N 3.18Å; N437-T440 WeakPolarHBondContact O-CA 3.49Å; N437-T440 WeakPolarHBondContact O-CB 3.47Å; N437-T440 PolarHBondContact O-N 3.48Å; N437-E441 PolarHBondContact O-N 3.37Å
438P94.6Very high87.1Confident42 Ų4249.9 Ų49.927%0.27325%0.245SC..Hα-helixtrans-52.5-33175.7-30.236.8000114.4E396 L442E396-P438 WeakPolarHBondContact OE2-CG 3.28Å; P438-L442 WeakPolarHBondContact O-CB 3.25Å; P438-L442 PolarHBondContact O-N 2.85Å
439Q96.5Very high87.7Confident10 Ų1047.4 Ų47.45%0.04723%0.232CC..Hα-helixtrans-66.2-43.3174.9-60.2177.569.800111.7L95 W100 N394 N437 L442 I443L95-Q439 HydrophobicContact CD2-CB 4.12Å; W100-Q439 PolarHBondContact O-NE2 3.27Å; N394-Q439 WeakPolarHBondContact O-CG 3.4Å; N437-Q439 PolarHBondContact O-N 2.91Å; N437-Q439 VanDerWaalsContact O-N 3.12Å; N437-Q439 WeakPolarHBondContact OD1-CB 3.36Å; N437-Q439 WeakPolarHBondContact OD1-CG 3.41Å; N437-Q439 PolarHBondContact OD1-N 3.18Å; Q439-L442 PolarHBondContact O-N 3.44Å; Q439-I443 WeakPolarHBondContact O-CG2 3.43Å; Q439-I443 PolarHBondContact O-N 2.93Å; Q439-I443 VanDerWaalsContact O-N 3.08Å
440T96.9Very high88.5Confident0 Ų046.7 Ų46.70%023%0.228CC..Hα-helixtrans-66.4-42.8175.9-62.50000111.3E94 P96 Y97 N437 I443 C444E94-T440 PolarHBondContact O-OG1 2.92Å; P96-T440 HydrophobicContact CG-CG2 4.09Å; Y97-T440 HydrophobicContact CD2-CG2 4.42Å; N437-T440 WeakPolarHBondContact O-CA 3.49Å; N437-T440 WeakPolarHBondContact O-CB 3.47Å; N437-T440 PolarHBondContact O-N 3.48Å; T440-I443 WeakPolarHBondContact O-CG2 3.41Å; T440-C444 VanDerWaalsContact O-CB 3.28Å; T440-C444 WeakPolarHBondContact O-CB 3.27Å; T440-C444 PolarHBondContact O-N 3.16Å; T440-C444 PolarHBondContact O-SG 3.01Å
441E95.8Very high89.9Confident11 Ų1137.6 Ų37.65%0.05119%0.188CC..Hα-helixtrans-61.2-44.6175.6-63.6-69.5-16400111.4S436 N437 C444 A445 N451 Y462 L467S436-E441 VanDerWaalsContact CB-OE1 3.22Å; S436-E441 WeakPolarHBondContact CB-OE1 3.35Å; S436-E441 PolarHBondContact OG-OE1 2.83Å; N437-E441 PolarHBondContact O-N 3.37Å; E441-C444 PolarHBondContact O-N 2.7Å; E441-A445 WeakPolarHBondContact O-CB 3.4Å; E441-A445 PolarHBondContact O-N 2.84Å; E441-N451 PolarHBondContact OE1-ND2 3.32Å; E441-N451 PolarHBondContact OE2-ND2 2.65Å; E441-Y462 HydrophobicContact CB-CD2 4.17Å; E441-Y462 VanDerWaalsContact CD-CD2 3.42Å; E441-Y462 HydrophobicContact CG-CD2 3.97Å; E441-Y462 HydrophobicContact CG-CE2 4.15Å; E441-Y462 WeakPolarHBondContact OE1-CE2 3.21Å; E441-L467 HydrophobicContact CB-CD1 4.36Å; E441-L467 HydrophobicContact CB-CD2 4.27Å
442L94.4Very high91.5Very high57 Ų5731 Ų3130%0.29816%0.158SC..Hα-helixtrans-59.7-52.8177.9178.161.7000111.9P438 Q439 C444 A445 M446P438-L442 WeakPolarHBondContact O-CB 3.25Å; P438-L442 PolarHBondContact O-N 2.85Å; Q439-L442 PolarHBondContact O-N 3.44Å; L442-C444 VanDerWaalsContact C-N 3.3Å; L442-C444 PolarHBondContact O-N 3.03Å; L442-A445 PolarHBondContact O-N 3.32Å; L442-M446 HydrophobicContact CD1-CG 4.17Å; L442-M446 HydrophobicContact CD1-SD 4.04Å; L442-M446 HydrophobicContact CG-SD 4.06Å; L442-M446 VanDerWaalsContact O-CG 3.31Å; L442-M446 WeakPolarHBondContact O-CG 3.42Å; L442-M446 PolarHBondContact O-N 3Å
443I95.6Very high92.8Very high17 Ų1729.6 Ų29.69%0.08715%0.151CC..Hα-helixtrans-67.7-32-178.7-164.9165.8000112.1Y97 L336 Q439 T440 L447Y97-I443 HydrophobicContact CD2-CG2 4.46Å; L336-I443 HydrophobicContact CD1-CD1 3.97Å; Q439-I443 WeakPolarHBondContact O-CG2 3.43Å; Q439-I443 PolarHBondContact O-N 2.93Å; Q439-I443 VanDerWaalsContact O-N 3.08Å; T440-I443 WeakPolarHBondContact O-CG2 3.41Å; I443-L447 HydrophobicContact CD1-CD1 4.44Å; I443-L447 HydrophobicContact CG1-CD1 3.83Å; I443-L447 WeakPolarHBondContact O-CB 3.34Å; I443-L447 PolarHBondContact O-N 3.45Å
444C96.5Very high93.8Very high0 Ų021.6 Ų21.60%011%0.114CC..Hα-helixtrans-65.6-44.5173.5-68.90000111.6Y97 T440 E441 L442 L447 D448 L449 N451Y97-C444 VanDerWaalsContact CE2-SG 3.56Å; T440-C444 VanDerWaalsContact O-CB 3.28Å; T440-C444 WeakPolarHBondContact O-CB 3.27Å; T440-C444 PolarHBondContact O-N 3.16Å; T440-C444 PolarHBondContact O-SG 3.01Å; E441-C444 PolarHBondContact O-N 2.7Å; L442-C444 VanDerWaalsContact C-N 3.3Å; L442-C444 PolarHBondContact O-N 3.03Å; C444-L447 PolarHBondContact O-N 3.47Å; C444-D448 CarbonylContact O-C 3.56Å; C444-D448 WeakPolarHBondContact O-CA 3.19Å; C444-D448 PolarHBondContact O-N 2.83Å; C444-L449 HydrophobicContact CB-CB 4.18Å; C444-L449 PolarHBondContact O-N 3.44Å; C444-N451 HydrophobicContact CB-CB 4.28Å
445A94.1Very high94.2Very high5 Ų523.4 Ų23.44%0.04112%0.124CC..Hα-helixtrans-66.1-39.3177.600000112.9E441 L442 L447 Y462 L464 L467E441-A445 WeakPolarHBondContact O-CB 3.4Å; E441-A445 PolarHBondContact O-N 2.84Å; L442-A445 PolarHBondContact O-N 3.32Å; A445-L447 PolarHBondContact O-N 3.11Å; A445-Y462 VanDerWaalsContact CB-O 3.32Å; A445-Y462 WeakPolarHBondContact CB-O 3.42Å; A445-L464 HydrophobicContact CB-CD2 3.78Å; A445-L464 HydrophobicContact CB-CG 4.07Å; A445-L464 WeakPolarHBondContact O-CG 3.42Å; A445-L467 HydrophobicContact CB-CD1 3.35Å
446M92.5Very high94.5Very high36 Ų3621.7 Ų21.718%0.17712%0.116CC..Hα-helixtrans-65.4-21.5177.8-71.7-179.28000114P384 F385 L442 L464P384-M446 VanDerWaalsContact O-CE 3.32Å; P384-M446 WeakPolarHBondContact O-CE 3.26Å; F385-M446 HydrophobicContact CB-CE 4.47Å; F385-M446 HydrophobicContact CD1-CE 3.46Å; F385-M446 VanDerWaalsContact CD1-CE 3.46Å; F385-M446 HydrophobicContact CD2-CE 4.04Å; F385-M446 HydrophobicContact CE1-CE 3.46Å; F385-M446 VanDerWaalsContact CE1-CE 3.46Å; F385-M446 HydrophobicContact CE1-SD 4.16Å; F385-M446 HydrophobicContact CE2-CB 4.32Å; F385-M446 HydrophobicContact CE2-CE 4.05Å; F385-M446 HydrophobicContact CG-CE 3.76Å; F385-M446 HydrophobicContact CZ-CB 4.19Å; F385-M446 HydrophobicContact CZ-CE 3.77Å; F385-M446 HydrophobicContact CZ-SD 4.31Å; L442-M446 HydrophobicContact CD1-CG 4.17Å; L442-M446 HydrophobicContact CD1-SD 4.04Å; L442-M446 HydrophobicContact CG-SD 4.06Å; L442-M446 VanDerWaalsContact O-CG 3.31Å; L442-M446 WeakPolarHBondContact O-CG 3.42Å; L442-M446 PolarHBondContact O-N 3Å; M446-L464 HydrophobicContact CG-CD2 3.82Å
447L94.5Very high94.7Very high0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-124.16.6-171.7-69.2171.9000113.9L341 R345 L381 F385 I443 C444 A445 L449L341-L447 HydrophobicContact CB-CD1 4.24Å; L341-L447 HydrophobicContact CB-CD2 4.17Å; L341-L447 HydrophobicContact CD1-CD1 4.34Å; L341-L447 HydrophobicContact CD2-CD1 3.85Å; L341-L447 HydrophobicContact CG-CD1 4.35Å; R345-L447 WeakPolarHBondContact CG-O 3.43Å; L381-L447 HydrophobicContact CD1-CD2 4.47Å; L381-L447 HydrophobicContact CD2-CD2 3.61Å; F385-L447 HydrophobicContact CE2-CD2 3.74Å; F385-L447 HydrophobicContact CE2-CG 4.16Å; F385-L447 HydrophobicContact CZ-CD1 4.42Å; F385-L447 HydrophobicContact CZ-CD2 4.2Å; F385-L447 HydrophobicContact CZ-CG 4.21Å; I443-L447 HydrophobicContact CD1-CD1 4.44Å; I443-L447 HydrophobicContact CG1-CD1 3.83Å; I443-L447 WeakPolarHBondContact O-CB 3.34Å; I443-L447 PolarHBondContact O-N 3.45Å; C444-L447 PolarHBondContact O-N 3.47Å; A445-L447 PolarHBondContact O-N 3.11Å; L447-L449 VanDerWaalsContact C-N 3.28Å; L447-L449 HydrophobicContact CB-CD1 3.9Å; L447-L449 HydrophobicContact CB-CD2 4.18Å; L447-L449 HydrophobicContact CB-CG 3.64Å; L447-L449 HydrophobicContact CD1-CD1 4.01Å; L447-L449 PolarHBondContact O-N 3.44Å
448D93.7Very high94.4Very high103 Ų10327.8 Ų27.855%0.55117%0.165SC*.THydrogen-bonded Turntrans54.237.9-172.7-49-63.9000113.7R345 N348 C444R345-D448 IonicContact CZ-OD2 3.65Å; R345-D448 IonicContact NE-OD2 3.7Å; R345-D448 PolarHBondContact NE-OD2 3.11Å; R345-D448 IonicContact NH2-OD2 2.68Å; R345-D448 PolarHBondContact NH2-OD2 3.41Å; N348-D448 PolarHBondContact ND2-O 2.93Å; C444-D448 CarbonylContact O-C 3.56Å; C444-D448 WeakPolarHBondContact O-CA 3.19Å; C444-D448 PolarHBondContact O-N 2.83Å
449L96.3Very high94.2Very high2 Ų231.3 Ų31.31%0.0118%0.176CC..  trans-87.6153-177.1-52.6175.2000113.4Y97 L344 N348 C444 L447 N451 S461Y97-L449 HydrophobicContact CD1-CD1 4.29Å; Y97-L449 HydrophobicContact CD2-CD1 4.48Å; Y97-L449 HydrophobicContact CE1-CD1 4.09Å; Y97-L449 HydrophobicContact CE2-CB 4.48Å; Y97-L449 HydrophobicContact CE2-CD1 4.31Å; Y97-L449 HydrophobicContact CG-CD1 4.48Å; L344-L449 HydrophobicContact CB-CD1 4.36Å; L344-L449 HydrophobicContact CB-CD2 4.26Å; L344-L449 HydrophobicContact CD1-CD1 4.34Å; N348-L449 HydrophobicContact CB-CD2 3.94Å; N348-L449 WeakPolarHBondContact OD1-CA 3.43Å; C444-L449 HydrophobicContact CB-CB 4.18Å; C444-L449 PolarHBondContact O-N 3.44Å; L447-L449 VanDerWaalsContact C-N 3.28Å; L447-L449 HydrophobicContact CB-CD1 3.9Å; L447-L449 HydrophobicContact CB-CD2 4.18Å; L447-L449 HydrophobicContact CB-CG 3.64Å; L447-L449 HydrophobicContact CD1-CD1 4.01Å; L447-L449 PolarHBondContact O-N 3.44Å; L449-N451 PolarHBondContact O-N 3.17Å; L449-S461 WeakPolarHBondContact O-CB 3.5Å; L449-S461 PolarHBondContact O-OG 3.29Å
450I95.4Very high93.8Very high42 Ų4239.1 Ų39.122%0.21521%0.212CC..  trans-71118.7166.5-69.8170.4000109Y97 N348 M351 P452 L455 S461Y97-I450 PolarHBondContact OH-O 3.39Å; N348-I450 PolarHBondContact ND2-N 2.8Å; N348-I450 PolarHBondContact OD1-N 2.71Å; M351-I450 HydrophobicContact CB-CD1 4.44Å; M351-I450 HydrophobicContact CG-CB 4.3Å; M351-I450 HydrophobicContact CG-CG2 4.11Å; I450-P452 WeakPolarHBondContact O-CD 3.12Å; I450-L455 HydrophobicContact CG2-CD1 3.34Å; I450-L455 HydrophobicContact CG2-CG 3.92Å; I450-S461 WeakPolarHBondContact CA-OG 3.28Å
451N96.2Very high93.4Very high0 Ų040.7 Ų40.70%022%0.223CC..  trans-84.8111.3167.2-179.7-13.8000108.9S436 E441 C444 L449 N453 A454 L455 S461S436-N451 PolarHBondContact OG-ND2 3.42Å; E441-N451 PolarHBondContact OE1-ND2 3.32Å; E441-N451 PolarHBondContact OE2-ND2 2.65Å; C444-N451 HydrophobicContact CB-CB 4.28Å; L449-N451 PolarHBondContact O-N 3.17Å; N451-N453 VanDerWaalsContact C-N 3.27Å; N451-N453 PolarHBondContact O-N 3.36Å; N451-N453 WeakPolarHBondContact OD1-CB 3.45Å; N451-N453 PolarHBondContact OD1-N 3.44Å; N451-A454 HydrophobicContact CB-CB 3.83Å; N451-A454 PolarHBondContact O-N 2.78Å; N451-A454 PolarHBondContact OD1-N 3.29Å; N451-L455 PolarHBondContact O-N 2.79Å; N451-L455 VanDerWaalsContact O-N 3.07Å; N451-S461 PolarHBondContact N-OG 3.27Å
452P95.2Very high92.8Very high2 Ų242.9 Ų42.91%0.01323%0.231CC..Hα-helixtrans-64.8-31.4-177.726.9-34.4000112.3P96 T353 I450 L455 F456P96-P452 HydrophobicContact CB-CG 4.2Å; P96-P452 HydrophobicContact CG-CG 3.78Å; T353-P452 HydrophobicContact CG2-CB 3.71Å; I450-P452 WeakPolarHBondContact O-CD 3.12Å; P452-L455 PolarHBondContact O-N 3.35Å; P452-F456 HydrophobicContact CB-CE2 4.49Å; P452-F456 WeakPolarHBondContact O-CD2 3.12Å; P452-F456 WeakPolarHBondContact O-CG 3.38Å; P452-F456 PolarHBondContact O-N 2.94Å
453N94.9Very high92.6Very high1 Ų142.7 Ų42.71%0.00524%0.235CC..Hα-helixtrans-71-37.1177.8-61.2-50.6000111.5Q93 L434 N451 L457Q93-N453 PolarHBondContact O-ND2 2.99Å; Q93-N453 PolarHBondContact O-OD1 2.77Å; L434-N453 HydrophobicContact CD1-CB 4.21Å; N451-N453 VanDerWaalsContact C-N 3.27Å; N451-N453 PolarHBondContact O-N 3.36Å; N451-N453 WeakPolarHBondContact OD1-CB 3.45Å; N451-N453 PolarHBondContact OD1-N 3.44Å; N453-L457 WeakPolarHBondContact O-CG 3.27Å; N453-L457 PolarHBondContact O-N 3.44Å; N453-L457 VanDerWaalsContact O-N 3.11Å
454A93.4Very high92Very high1 Ų145.7 Ų45.71%0.00825%0.251CS..Hα-helixtrans-62.6-44.7170.400000111.3N451 F456 L457 G458 K459N451-A454 HydrophobicContact CB-CB 3.83Å; N451-A454 PolarHBondContact O-N 2.78Å; N451-A454 PolarHBondContact OD1-N 3.29Å; A454-F456 PolarHBondContact O-N 2.89Å; A454-L457 CarbonylContact O-C 3.57Å; A454-L457 WeakPolarHBondContact O-CA 3.46Å; A454-L457 WeakPolarHBondContact O-CB 3.21Å; A454-L457 PolarHBondContact O-N 2.87Å; A454-L457 VanDerWaalsContact O-N 3.1Å; A454-G458 PolarHBondContact O-N 2.74Å; A454-K459 CarbonylContact C-O 3.58Å; A454-K459 VanDerWaalsContact C-O 3.3Å; A454-K459 HydrophobicContact CB-CB 4.36Å; A454-K459 WeakPolarHBondContact O-CA 3.23Å; A454-K459 PolarHBondContact O-N 3.06Å; A454-K459 VanDerWaalsContact O-O 3.11Å
455L92.7Very high91.5Very high66 Ų6652.2 Ų52.235%0.34629%0.285SS..Hα-helixtrans-60.2-45.1177-73.1-172.1000112.9T353 I450 N451 P452 L457 G458 K459T353-L455 HydrophobicContact CG2-CB 4.25Å; T353-L455 HydrophobicContact CG2-CD1 4.24Å; I450-L455 HydrophobicContact CG2-CD1 3.34Å; I450-L455 HydrophobicContact CG2-CG 3.92Å; N451-L455 PolarHBondContact O-N 2.79Å; N451-L455 VanDerWaalsContact O-N 3.07Å; P452-L455 PolarHBondContact O-N 3.35Å; L455-L457 PolarHBondContact O-N 2.84Å; L455-G458 WeakPolarHBondContact O-CA 3.11Å; L455-G458 PolarHBondContact O-N 3.05Å; L455-K459 PolarHBondContact N-O 2.94Å
456F92.8Very high91.2Very high44 Ų4456.6 Ų56.619%0.19330%0.304CS..Hα-helixtrans-65-26.6176.3-71.3-55.1000112.5H137 E139 H140 T353 L434 P452 A454 G458H137-F456 WeakPolarHBondContact O-CZ 3.46Å; E139-F456 WeakPolarHBondContact O-CE2 3.44Å; E139-F456 WeakPolarHBondContact O-CZ 3.42Å; H140-F456 HydrophobicContact CB-CD1 4.23Å; H140-F456 HydrophobicContact CB-CD2 4.06Å; H140-F456 HydrophobicContact CB-CE1 4.33Å; H140-F456 HydrophobicContact CB-CE2 4.18Å; H140-F456 HydrophobicContact CB-CG 4.09Å; H140-F456 HydrophobicContact CB-CZ 4.31Å; H140-F456 AromaticContact CD2-CD1 3.58Å; H140-F456 AromaticContact CD2-CE1 3.64Å; T353-F456 HydrophobicContact CG2-CD1 4.22Å; T353-F456 HydrophobicContact CG2-CD2 4.19Å; T353-F456 HydrophobicContact CG2-CE1 3.88Å; T353-F456 HydrophobicContact CG2-CE2 3.84Å; T353-F456 HydrophobicContact CG2-CG 4.36Å; T353-F456 HydrophobicContact CG2-CZ 3.67Å; L434-F456 HydrophobicContact CD2-CB 3.21Å; L434-F456 HydrophobicContact CD2-CG 4.31Å; P452-F456 HydrophobicContact CB-CE2 4.49Å; P452-F456 WeakPolarHBondContact O-CD2 3.12Å; P452-F456 WeakPolarHBondContact O-CG 3.38Å; P452-F456 PolarHBondContact O-N 2.94Å; A454-F456 PolarHBondContact O-N 2.89Å; F456-G458 PolarHBondContact O-N 3.17Å
457L91.4Very high90.8Very high70 Ų7056 Ų5637%0.36630%0.301SS..THydrogen-bonded Turntrans-77.91.2169.2-71.8173.4000113.9L434 N453 A454 L455 K459L434-L457 HydrophobicContact CB-CD2 4.14Å; L434-L457 HydrophobicContact CD2-CD2 3.86Å; L434-L457 HydrophobicContact CD2-CG 3.66Å; L434-L457 HydrophobicContact CG-CD2 4.08Å; L434-L457 HydrophobicContact CG-CG 4Å; N453-L457 WeakPolarHBondContact O-CG 3.27Å; N453-L457 PolarHBondContact O-N 3.44Å; N453-L457 VanDerWaalsContact O-N 3.11Å; A454-L457 CarbonylContact O-C 3.57Å; A454-L457 WeakPolarHBondContact O-CA 3.46Å; A454-L457 WeakPolarHBondContact O-CB 3.21Å; A454-L457 PolarHBondContact O-N 2.87Å; A454-L457 VanDerWaalsContact O-N 3.1Å; L455-L457 PolarHBondContact O-N 2.84Å; L457-K459 VanDerWaalsContact C-N 3.28Å; L457-K459 HydrophobicContact CB-CD 4.36Å; L457-K459 HydrophobicContact CB-CG 4.25Å; L457-K459 PolarHBondContact O-N 3.22Å
458G89.9Confident90.3Very high75 Ų7558.2 Ų58.277%0.77332%0.317SS*.THydrogen-bonded Turntrans71.420.6-175.300000113.9A454 L455 F456A454-G458 PolarHBondContact O-N 2.74Å; L455-G458 WeakPolarHBondContact O-CA 3.11Å; L455-G458 PolarHBondContact O-N 3.05Å; F456-G458 PolarHBondContact O-N 3.17Å
459K89.8Confident89.9Confident116 Ų11655.8 Ų55.850%0.50431%0.312SS..  trans-109.2161.5179.9-59.6-178.6-177.8-1790110.7A454 L455 L457A454-K459 CarbonylContact C-O 3.58Å; A454-K459 VanDerWaalsContact C-O 3.3Å; A454-K459 HydrophobicContact CB-CB 4.36Å; A454-K459 WeakPolarHBondContact O-CA 3.23Å; A454-K459 PolarHBondContact O-N 3.06Å; A454-K459 VanDerWaalsContact O-O 3.11Å; L455-K459 PolarHBondContact N-O 2.94Å; L457-K459 VanDerWaalsContact C-N 3.28Å; L457-K459 HydrophobicContact CB-CD 4.36Å; L457-K459 HydrophobicContact CB-CG 4.25Å; L457-K459 PolarHBondContact O-N 3.22Å
460Q88.2Confident89.2Confident173 Ų17359.4 Ų59.481%0.80833%0.329SS*.PPolyproline II helixtrans-87.2160.3165.6-65.8-176.1-26.300109.7
461S88.3Confident88.5Confident34 Ų3462.3 Ų62.324%0.23834%0.344CS..PPolyproline II helixtrans-57.6143.7165.3-51.80000109.9L449 I450 N451L449-S461 WeakPolarHBondContact O-CB 3.5Å; L449-S461 PolarHBondContact O-OG 3.29Å; I450-S461 WeakPolarHBondContact CA-OG 3.28Å; N451-S461 PolarHBondContact N-OG 3.27Å
462Y84.2Confident87.7Confident57 Ų5768 Ų6822%0.22437%0.37CS..PPolyproline II helixtrans-68.2146.2169.9-63.8-68.9000111.8E441 A445 E466 L467 Q470E441-Y462 HydrophobicContact CB-CD2 4.17Å; E441-Y462 VanDerWaalsContact CD-CD2 3.42Å; E441-Y462 HydrophobicContact CG-CD2 3.97Å; E441-Y462 HydrophobicContact CG-CE2 4.15Å; E441-Y462 WeakPolarHBondContact OE1-CE2 3.21Å; A445-Y462 VanDerWaalsContact CB-O 3.32Å; A445-Y462 WeakPolarHBondContact CB-O 3.42Å; Y462-E466 HydrophobicContact CD1-CB 4.01Å; Y462-L467 HydrophobicContact CD2-CG 4.4Å; Y462-L467 HydrophobicContact CG-CG 4.28Å; Y462-Q470 VanDerWaalsContact CE1-NE2 3.25Å; Y462-Q470 PolarHBondContact OH-NE2 2.88Å
463S88.3Confident87Confident53 Ų5370.3 Ų70.337%0.37139%0.387SS..PPolyproline II helixtrans-78.2159.5158.864.80000111.2L465 E466 L467S463-L465 PolarHBondContact O-N 3.37Å; S463-E466 WeakPolarHBondContact CB-OE2 3.48Å; S463-E466 PolarHBondContact N-OE2 3.48Å; S463-E466 PolarHBondContact O-N 3.36Å; S463-E466 VanDerWaalsContact O-N 3.15Å; S463-E466 VanDerWaalsContact OG-CD 3.28Å; S463-E466 WeakPolarHBondContact OG-CG 3.03Å; S463-E466 PolarHBondContact OG-N 3.39Å; S463-E466 PolarHBondContact OG-OE2 3.06Å; S463-L467 PolarHBondContact O-N 2.8Å; S463-L467 VanDerWaalsContact O-N 3.12Å
464L84Confident86.2Confident80 Ų8075.3 Ų75.342%0.41941%0.408SS..Hα-helixtrans-56.8-32.5173.8-73.7173.8000112.7A445 M446 S468A445-L464 HydrophobicContact CB-CD2 3.78Å; A445-L464 HydrophobicContact CB-CG 4.07Å; A445-L464 WeakPolarHBondContact O-CG 3.42Å; M446-L464 HydrophobicContact CG-CD2 3.82Å; L464-S468 WeakPolarHBondContact O-CB 3.44Å; L464-S468 PolarHBondContact O-N 2.57Å; L464-S468 PolarHBondContact O-OG 2.97Å
465L86.2Confident85.5Confident136 Ų13681.3 Ų81.371%0.71243%0.434SS*.Hα-helixtrans-66.3-44.3178.4-174.364.1000111.3S463 S468 A469S463-L465 PolarHBondContact O-N 3.37Å; L465-S468 PolarHBondContact O-N 3.46Å; L465-S468 PolarHBondContact O-OG 2.7Å; L465-A469 PolarHBondContact O-N 3.35Å
466E86.8Confident84.7Confident98 Ų9882.8 Ų82.846%0.45844%0.443SS..Hα-helixtrans-66.8-43.5178.8-70.4159140.500112Y462 S463 S468 A469 Q470Y462-E466 HydrophobicContact CD1-CB 4.01Å; S463-E466 WeakPolarHBondContact CB-OE2 3.48Å; S463-E466 PolarHBondContact N-OE2 3.48Å; S463-E466 PolarHBondContact O-N 3.36Å; S463-E466 VanDerWaalsContact O-N 3.15Å; S463-E466 VanDerWaalsContact OG-CD 3.28Å; S463-E466 WeakPolarHBondContact OG-CG 3.03Å; S463-E466 PolarHBondContact OG-N 3.39Å; S463-E466 PolarHBondContact OG-OE2 3.06Å; E466-S468 VanDerWaalsContact C-N 3.33Å; E466-S468 PolarHBondContact O-N 2.77Å; E466-A469 PolarHBondContact O-N 2.79Å; E466-Q470 WeakPolarHBondContact O-CG 3.48Å; E466-Q470 PolarHBondContact O-N 3.05Å
467L84Confident83.7Confident22 Ų2286.9 Ų86.912%0.11546%0.462CS..Hα-helixtrans-61.1-41.4173-87.2155.9000112E441 A445 Y462 S463 A469 Q470 L471E441-L467 HydrophobicContact CB-CD1 4.36Å; E441-L467 HydrophobicContact CB-CD2 4.27Å; A445-L467 HydrophobicContact CB-CD1 3.35Å; Y462-L467 HydrophobicContact CD2-CG 4.4Å; Y462-L467 HydrophobicContact CG-CG 4.28Å; S463-L467 PolarHBondContact O-N 2.8Å; S463-L467 VanDerWaalsContact O-N 3.12Å; L467-A469 VanDerWaalsContact C-N 3.29Å; L467-A469 PolarHBondContact O-N 2.65Å; L467-Q470 PolarHBondContact O-N 3.19Å; L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 WeakPolarHBondContact O-CG 3.18Å; L467-L471 PolarHBondContact O-N 3.04Å
468S84.6Confident82.7Confident48 Ų4890.1 Ų90.134%0.33648%0.475SS..Hα-helixtrans-63.4-35.917775.70000112.6L464 L465 E466 Q472L464-S468 WeakPolarHBondContact O-CB 3.44Å; L464-S468 PolarHBondContact O-N 2.57Å; L464-S468 PolarHBondContact O-OG 2.97Å; L465-S468 PolarHBondContact O-N 3.46Å; L465-S468 PolarHBondContact O-OG 2.7Å; E466-S468 VanDerWaalsContact C-N 3.33Å; E466-S468 PolarHBondContact O-N 2.77Å; S468-Q472 WeakPolarHBondContact O-CG 2.92Å; S468-Q472 PolarHBondContact O-N 3.23Å; S468-Q472 VanDerWaalsContact O-N 3.08Å
469A85Confident81.4Confident52 Ų5293.1 Ų93.143%0.4347%0.469SS..Hα-helixtrans-71-40.317600000112.1L465 E466 L467 L471 Q472 S473L465-A469 PolarHBondContact O-N 3.35Å; E466-A469 PolarHBondContact O-N 2.79Å; L467-A469 VanDerWaalsContact C-N 3.29Å; L467-A469 PolarHBondContact O-N 2.65Å; A469-L471 VanDerWaalsContact C-N 3.34Å; A469-Q472 PolarHBondContact O-N 3.32Å; A469-S473 PolarHBondContact O-N 3.45Å
470Q82.2Confident80Confident78 Ų7893.2 Ų93.236%0.36448%0.476SS..Hα-helixtrans-65.2-36.2174.4-72.2-177.3-300112.7Y462 E466 L467 Q472 S473 K474Y462-Q470 VanDerWaalsContact CE1-NE2 3.25Å; Y462-Q470 PolarHBondContact OH-NE2 2.88Å; E466-Q470 WeakPolarHBondContact O-CG 3.48Å; E466-Q470 PolarHBondContact O-N 3.05Å; L467-Q470 PolarHBondContact O-N 3.19Å; Q470-Q472 VanDerWaalsContact C-N 3.32Å; Q470-S473 PolarHBondContact O-OG 3.2Å; Q470-K474 WeakPolarHBondContact O-CG 3.48Å; Q470-K474 PolarHBondContact O-N 3.12Å; Q470-K474 VanDerWaalsContact O-N 3.11Å
471L81Confident78.5Confident103 Ų10391.7 Ų91.754%0.53947%0.473SS..Hα-helixtrans-72.7-24.5175.1-71.9170.6000112.9L467 A469 K475L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 WeakPolarHBondContact O-CG 3.18Å; L467-L471 PolarHBondContact O-N 3.04Å; A469-L471 VanDerWaalsContact C-N 3.34Å; L471-K475 WeakPolarHBondContact O-CG 3.34Å
472Q79.3Confident76.8Confident119 Ų11997.1 Ų97.156%0.55650%0.499SS*.Hα-helixtrans-74.5-51.3170.3-76.4171.2-3.900110.4S468 A469 Q470 K474 K475 D476S468-Q472 WeakPolarHBondContact O-CG 2.92Å; S468-Q472 PolarHBondContact O-N 3.23Å; S468-Q472 VanDerWaalsContact O-N 3.08Å; A469-Q472 PolarHBondContact O-N 3.32Å; Q470-Q472 VanDerWaalsContact C-N 3.32Å; Q472-K474 VanDerWaalsContact C-N 3.3Å; Q472-K474 PolarHBondContact O-N 2.8Å; Q472-K475 WeakPolarHBondContact O-CA 3.45Å; Q472-K475 WeakPolarHBondContact O-CB 3.46Å; Q472-K475 PolarHBondContact O-N 2.85Å; Q472-D476 VanDerWaalsContact O-CG 3.3Å; Q472-D476 PolarHBondContact O-N 3.17Å
473S80.8Confident75.1Confident51 Ų51102.9 Ų102.936%0.35753%0.528SS..Hα-helixtrans-60.3-37.3-17967.80000113.2A469 Q470 K475 D476 E477A469-S473 PolarHBondContact O-N 3.45Å; Q470-S473 PolarHBondContact O-OG 3.2Å; S473-K475 VanDerWaalsContact C-N 3.3Å; S473-K475 PolarHBondContact O-N 2.93Å; S473-D476 PolarHBondContact O-N 3.42Å; S473-E477 WeakPolarHBondContact O-CB 3.36Å; S473-E477 WeakPolarHBondContact O-CG 3.48Å; S473-E477 PolarHBondContact O-N 3.02Å
474K78.4Confident72.8Confident106 Ų106105.5 Ų105.546%0.46154%0.542SS..Hα-helixtrans-61.5-36.1173-79.8-172.3172.8-167.30113.2Q470 Q472 E478Q470-K474 WeakPolarHBondContact O-CG 3.48Å; Q470-K474 PolarHBondContact O-N 3.12Å; Q470-K474 VanDerWaalsContact O-N 3.11Å; Q472-K474 VanDerWaalsContact C-N 3.3Å; Q472-K474 PolarHBondContact O-N 2.8Å; K474-E478 WeakPolarHBondContact O-CG 3.19Å; K474-E478 PolarHBondContact O-N 3.37Å
475K77.3Confident70.5Confident127 Ų127111.5 Ų111.555%0.55257%0.568SS**Hα-helixtrans-74.7-39.5177.3-73.7177.6176.6-171.80111.9L471 Q472 S473 E477 E478 E479L471-K475 WeakPolarHBondContact O-CG 3.34Å; Q472-K475 WeakPolarHBondContact O-CA 3.45Å; Q472-K475 WeakPolarHBondContact O-CB 3.46Å; Q472-K475 PolarHBondContact O-N 2.85Å; S473-K475 VanDerWaalsContact C-N 3.3Å; S473-K475 PolarHBondContact O-N 2.93Å; K475-E477 VanDerWaalsContact C-N 3.27Å; K475-E477 PolarHBondContact O-N 3.02Å; K475-E478 PolarHBondContact O-N 3.02Å; K475-E479 WeakPolarHBondContact O-CB 3.23Å; K475-E479 WeakPolarHBondContact O-CG 3.39Å; K475-E479 PolarHBondContact O-N 2.85Å
476D76.3Confident68.1Low97 Ų97107.7 Ų107.752%0.51956%0.561SS.*Hα-helixtrans-61.3-40.2174.7-57.4-26.5000110Q472 S473 D480Q472-D476 VanDerWaalsContact O-CG 3.3Å; Q472-D476 PolarHBondContact O-N 3.17Å; S473-D476 PolarHBondContact O-N 3.42Å; D476-D480 WeakPolarHBondContact O-CB 3.09Å; D476-D480 PolarHBondContact O-N 3.09Å
477E72.2Confident65.6Low130 Ų130110.8 Ų110.861%0.60758%0.581SS**Hα-helixtrans-65.1-41.7172.9-73.9170.5-169.100113.1S473 K475 D481S473-E477 WeakPolarHBondContact O-CB 3.36Å; S473-E477 WeakPolarHBondContact O-CG 3.48Å; S473-E477 PolarHBondContact O-N 3.02Å; K475-E477 VanDerWaalsContact C-N 3.27Å; K475-E477 PolarHBondContact O-N 3.02Å; E477-D481 PolarHBondContact O-N 2.85Å
478E69.6Low63.6Low137 Ų137115.3 Ų115.364%0.6461%0.611SS**Hα-helixtrans-69.2-35.3176-75.9173.2-17000112.9K474 K475K474-E478 WeakPolarHBondContact O-CG 3.19Å; K474-E478 PolarHBondContact O-N 3.37Å; K475-E478 PolarHBondContact O-N 3.02Å
479E62.9Low61.2Low138 Ų138122 Ų12265%0.64564%0.638SS**Hα-helixtrans-74.8-35.5176.8-73.4-176.4-162.200112.3K475 D482K475-E479 WeakPolarHBondContact O-CB 3.23Å; K475-E479 WeakPolarHBondContact O-CG 3.39Å; K475-E479 PolarHBondContact O-N 2.85Å; E479-D482 PolarHBondContact O-N 3.03Å
480D60.6Low58.6Low119 Ų119128.2 Ų128.264%0.63666%0.657SS**Hα-helixtrans-66.8-36.8175.9-90.6-14.3000112.2D476 D482 E483 V484D476-D480 WeakPolarHBondContact O-CB 3.09Å; D476-D480 PolarHBondContact O-N 3.09Å; D480-D482 VanDerWaalsContact C-N 3.31Å; D480-D482 PolarHBondContact O-N 3.08Å; D480-E483 PolarHBondContact O-N 3.33Å; D480-V484 WeakPolarHBondContact O-CG2 3.28Å
481D57.4Low56Low140 Ų140132.1 Ų132.175%0.74968%0.681SS**Hα-helixtrans-66.3-30.5177.5-97.1-10.9000112.6E477E477-D481 PolarHBondContact O-N 2.85Å
482D51.7Low53.5Low149 Ų149134.6 Ų134.680%0.79769%0.693SS**Hα-helixtrans-75-19.7178.8-99.9-7.3000113.5E479 D480E479-D482 PolarHBondContact O-N 3.03Å; D480-D482 VanDerWaalsContact C-N 3.31Å; D480-D482 PolarHBondContact O-N 3.08Å
483E48.4Very low51.1Low178 Ų178134.5 Ų134.583%0.83270%0.704SS**THydrogen-bonded Turntrans-86.1-4.6177.4-72.1-146.2157.500114.5D480 E485D480-E483 PolarHBondContact O-N 3.33Å; E483-E485 PolarHBondContact O-N 3.11Å
484V41.1Very low48.6Very low108 Ų108140.6 Ų140.666%0.65573%0.727SS**  trans-10040.9-174.1-155.80000114.8D480 G486D480-V484 WeakPolarHBondContact O-CG2 3.28Å; V484-G486 PolarHBondContact O-N 2.84Å
485E35.4Very low46.4Very low206 Ų206143.3 Ų143.396%0.96375%0.747SS**  trans-74.754153.8-81.5-151.1148.100111.3E483E483-E485 PolarHBondContact O-N 3.11Å
486G35.3Very low44.1Very low55 Ų55145 Ų14557%0.56776%0.762SS**  trans-117.796.5-179.100000112.3V484V484-G486 PolarHBondContact O-N 2.84Å
487N34.2Very low42Very low163 Ų163147.2 Ų147.287%0.87278%0.779SS**  trans-26.4132.2-177.2-111.3-23.7000117.1
488P41.7Very low40Very low117 Ų117150 Ų15076%0.7679%0.789SS**  trans-84.1125.6-173.933.2-34.2000113
489E34.1Very low38Very low190 Ų190150.7 Ų150.789%0.88880%0.797SS**  trans-128.7109157.9-75.7-166.6166.300110.9
490E29.8Very low36.5Very low181 Ų181151.5 Ų151.585%0.84681%0.805SS**  trans21.1120.3150.9-55.9-17616500119.1
491N29.5Very low34.9Very low160 Ų160154 Ų15486%0.85681%0.813SS**  -156.5116.4123.2-102.3-65.8000111.6
492I26.9Very low33.7Very low156 Ų156154.2 Ų154.280%0.881%0.814SS**  trans-83.4121.7170-66.7159.5000107.8
493C29.1Very low32.5Very low117 Ų117155.9 Ų155.979%0.79182%0.817SS**  trans-137.4100.6165.3-73.70000108.3
494E28.9Very low31.7Very low178 Ų178155.4 Ų155.483%0.83282%0.819SS**  trans-69.4137.1165.8-59171146.900108.8
495D31.8Very low31.1Very low164 Ų164157 Ų15788%0.87782%0.824SS**  trans-153118.4155.7-107.7-34000110.9
496D29.3Very low30.8Very low163 Ų163153.5 Ų153.587%0.87282%0.817SS**  trans-67.8126176.7-76.7-59.5000111.6
497V32.4Very low30.5Very low143 Ų143156.2 Ų156.287%0.86782%0.819SS**  trans-126.9133.3159-174.40000110.7
498K30.4Very low30.2Very low189 Ų189157.8 Ų157.882%0.82282%0.821SS**  trans-83.1150.9-161.5-65.7161.8-178167.50113D500K498-D500 PolarHBondContact O-N 2.88Å
499N26.9Very low29.6Very low151 Ų151162.1 Ų162.181%0.80782%0.823SS**  trans-53.7130.7161.2-57.9-23.5000110.8
500D30.7Very low29.6Very low155 Ų155158.6 Ų158.683%0.82982%0.817SS**  trans-118.9108.6157-105.4-30.5000108K498 N502K498-D500 PolarHBondContact O-N 2.88Å; D500-N502 PolarHBondContact O-N 3.24Å
501E28.3Very low29.6Very low171 Ų171157.8 Ų157.880%0.79982%0.817SS**  trans-74.4113.6174.2-64.2178166.400109.2
502N31.3Very low29.6Very low145 Ų145158.2 Ų158.278%0.77582%0.82SS**  trans-117.8109.9166.4-89.1-54.2000110.4D500 L504D500-N502 PolarHBondContact O-N 3.24Å; N502-L504 PolarHBondContact O-N 3.13Å
503Q27.8Very low29.6Very low184 Ų184157 Ų15786%0.8682%0.819SS**PPolyproline II helixtrans-67.1121.6174.9-64.4170.26.600109.2
504L30.3Very low29.4Very low167 Ų167158.2 Ų158.287%0.87482%0.818SS**PPolyproline II helixtrans-90.1120.3173.3-74.9168.3000109.7N502N502-L504 PolarHBondContact O-N 3.13Å
505D29.3Very low29.4Very low141 Ų141156.1 Ų156.175%0.75482%0.817SS**PPolyproline II helixtrans-78.7130-175.5-167.916.8000111.4N507D505-N507 PolarHBondContact O-N 3.13Å; D505-N507 VanDerWaalsContact O-N 3.08Å
506V29.3Very low28.9Very low134 Ų134153 Ų15381%0.81281%0.808SS**  trans-80.495.1-169.5-178.30000109.7
507N29.4Very low28.7Very low112 Ų112156.9 Ų156.960%0.59981%0.811SS**  trans-95.9116.1172-77.9-85.1000110.9D505 Y509D505-N507 PolarHBondContact O-N 3.13Å; D505-N507 VanDerWaalsContact O-N 3.08Å; N507-Y509 WeakPolarHBondContact O-CD2 3.41Å; N507-Y509 VanDerWaalsContact O-CD2 3.28Å; N507-Y509 PolarHBondContact O-N 2.98Å
508E27.6Very low28.4Very low196 Ų196157.8 Ų157.892%0.91681%0.809SS**  trans-66.4110.2178.5-170.3173.2-147.200110.3
509Y29.1Very low28.1Very low208 Ų208152.1 Ų152.182%0.81680%0.798SS**  trans-89.5139.9-179.5-85.1-86.8000112.1N507N507-Y509 WeakPolarHBondContact O-CD2 3.41Å; N507-Y509 VanDerWaalsContact O-CD2 3.28Å; N507-Y509 PolarHBondContact O-N 2.98Å
510P32.9Very low28.2Very low115 Ų115151.1 Ų151.175%0.74780%0.803SS**  trans-80.8150.4-173.5-7.526.1000113.2D512P510-D512 PolarHBondContact O-N 2.99Å
511L29.8Very low27.9Very low165 Ų165150.9 Ų150.986%0.86480%0.801SS**  trans-62.9112.6174.5-67.6157.9000111.8V513L511-V513 PolarHBondContact O-N 3.19Å
512D29.6Very low27.8Very low168 Ų168148 Ų14890%0.89880%0.801SS**  trans-7999.3171.1-112.5-25.5000110.2P510 N514P510-D512 PolarHBondContact O-N 2.99Å; D512-N514 PolarHBondContact O-N 3.01Å
513V26.9Very low27.6Very low131 Ų131151.1 Ų151.179%0.79481%0.807SS**  trans-84.7104.7177.6178.50000109.4L511L511-V513 PolarHBondContact O-N 3.19Å
514N25.1Very low27.7Very low142 Ų142147.9 Ų147.976%0.75980%0.8SS**  trans-152.265.6174.2-141.1-2.5000115.4D512D512-N514 PolarHBondContact O-N 3.01Å
515T29.3Very low27.4Very low134 Ų134149.7 Ų149.782%0.82280%0.801SS**  trans-124.888.416826.60000110.6W517T515-W517 PolarHBondContact O-N 3Å
516S22.3Very low27.4Very low98 Ų98150.7 Ų150.769%0.68580%0.801SS**  trans-91.380.3-173.450.30000113.5
517W24.8Very low27.3Very low245 Ų245150 Ų15093%0.92880%0.802SS**  trans-126.880.6170.4-72.769.3000110.1T515T515-W517 PolarHBondContact O-N 3Å
518I25.2Very low27.3Very low162 Ų162153.2 Ų153.283%0.83181%0.811SS**  trans-118.2131.8-178.2-71.2-180000111.9
519A25.1Very low27.3Very low71 Ų71150.8 Ų150.859%0.58781%0.81SS**  trans65.4115158.900000119.3
520S27.9Very low27.4Very low130 Ų130147.8 Ų147.891%0.90980%0.803SS**  trans-133.8100.1130.2-750000108.3
521D25Very low27.2Very low149 Ų149150.1 Ų150.180%0.79780%0.798SS**  trans-60.8137179.7-71.7-59.2000112.2
522S24.9Very low27.4Very low112 Ų112146 Ų14678%0.78378%0.777SS**  17399.8126.238.90000111.4
523F27Very low27.4Very low209 Ų209140.4 Ų140.492%0.91775%0.75SS**  trans-139.7148.5162.1-141.8-100.7000113.1
524V30Very low27.7Very low117 Ų117140.7 Ų140.771%0.70974%0.744SS**  trans-83.3133.1-165.7176.80000110.6E526V524-E526 PolarHBondContact O-N 2.97Å
525K25.7Very low28Very low205 Ų205139.7 Ų139.789%0.89174%0.739SS**  trans-69.9109.2172.4-70-177.4174.7-174.70110.7
526E27.5Very low27.8Very low161 Ų161136.7 Ų136.775%0.75272%0.724SS**  trans-123.2126.6154.6-70.5-164.3158.900109.6V524V524-E526 PolarHBondContact O-N 2.97Å
527S27.5Very low28.1Very low120 Ų120136.6 Ų136.684%0.83972%0.723SS**  trans-81.5118-172.453.10000111.3
528F30.7Very low28.2Very low179 Ų179134.4 Ų134.479%0.78572%0.72SS**  trans-122.1124.9165-80.8-87.4000109.7E530F528-E530 PolarHBondContact O-N 3.03Å
529T27.3Very low28.3Very low146 Ų146132.1 Ų132.190%0.89671%0.714SS**  trans-74.5114.3176.447.70000109.5
530E30.1Very low28.5Very low144 Ų144133.2 Ų133.267%0.67372%0.717SS**  trans-69.6145.7168.1-167.1149.5-134.100110K363 F528 D532K363-E530 IonicContact NZ-OE1 3.82Å; K363-E530 PolarHBondContact NZ-OE1 2.78Å; K363-E530 IonicContact NZ-OE2 3.85Å; K363-E530 PolarHBondContact NZ-OE2 3.23Å; F528-E530 PolarHBondContact O-N 3.03Å; E530-D532 PolarHBondContact O-N 3.44Å
531Y28.4Very low28.3Very low165 Ų165134.5 Ų134.565%0.64771%0.714SS**  trans-79107.7-178.7173.8-96000109.3P533Y531-P533 HydrophobicContact CE1-CB 4.1Å; Y531-P533 VanDerWaalsContact O-CD 3.26Å; Y531-P533 WeakPolarHBondContact O-CD 3.48Å
532D34.1Very low28.6Very low79 Ų79133.5 Ų133.542%0.42271%0.713SS.*  trans-86.8106.8173.1172.119.8000110.2E530 M534 N535E530-D532 PolarHBondContact O-N 3.44Å; D532-M534 VanDerWaalsContact OD1-CB 3.24Å; D532-M534 PolarHBondContact OD1-N 3.09Å; D532-M534 WeakPolarHBondContact OD1-CB 3.48Å; D532-M534 PolarHBondContact O-N 3.47Å; D532-N535 PolarHBondContact O-N 2.98Å; D532-N535 PolarHBondContact OD2-ND2 2.98Å
533P30.5Very low28.8Very low50 Ų50135.8 Ų135.833%0.32572%0.717SS.*G310 helixtrans-66.7-14.5179.128.1-34.8000113.4Y531 N535Y531-P533 HydrophobicContact CE1-CB 4.1Å; Y531-P533 VanDerWaalsContact O-CD 3.26Å; Y531-P533 WeakPolarHBondContact O-CD 3.48Å; P533-N535 PolarHBondContact O-N 3.19Å
534M33.6Very low28.7Very low136 Ų136135.4 Ų135.467%0.6772%0.718SS**G310 helixtrans-73.8-6.8176-56.7-66.1-88.600112.9D532D532-M534 VanDerWaalsContact OD1-CB 3.24Å; D532-M534 PolarHBondContact OD1-N 3.09Å; D532-M534 WeakPolarHBondContact OD1-CB 3.48Å; D532-M534 PolarHBondContact O-N 3.47Å
535N30Very low28.7Very low121 Ų121135.6 Ų135.665%0.64772%0.724SS**G310 helixtrans-117.626.7-175.9-112.1-43.8000114.2D532 P533 S537D532-N535 PolarHBondContact O-N 2.98Å; D532-N535 PolarHBondContact OD2-ND2 2.98Å; P533-N535 PolarHBondContact O-N 3.19Å; N535-S537 PolarHBondContact O-N 2.86Å
536S26.9Very low28.9Very low72 Ų72131.3 Ų131.350%0.50372%0.72SS.*  trans-6960.5-177.761.60000114.9F538S536-F538 PolarHBondContact O-N 2.79Å
537S27.5Very low28.7Very low96 Ų96132.1 Ų132.167%0.67172%0.723SS**  trans-7958.6171.953.10000112.4N535 V539N535-S537 PolarHBondContact O-N 2.86Å; S537-V539 PolarHBondContact O-N 2.98Å
538F26.6Very low28.9Very low198 Ų198134 Ų13487%0.86872%0.724SS**  trans-71.178.7164.2-104.8-85.1000109.5S536 S540S536-F538 PolarHBondContact O-N 2.79Å; F538-S540 PolarHBondContact O-N 2.89Å
539V28.5Very low29.4Very low115 Ų115130.9 Ų130.970%0.69772%0.722SS**  trans-67.494.1177.4-177.90000109.2S537 N541S537-V539 PolarHBondContact O-N 2.98Å; V539-N541 PolarHBondContact O-N 2.89Å
540S28Very low29.5Very low94 Ų94132 Ų13266%0.65772%0.721SS**  trans-64.3112.3166.547.50000108.9F538 T542F538-S540 PolarHBondContact O-N 2.89Å; S540-T542 PolarHBondContact O-N 3.48Å; S540-T542 VanDerWaalsContact C-N 3.29Å
541N23.6Very low29.5Very low157 Ų157134.3 Ų134.384%0.8473%0.728SS**  trans-64.284.2179-85.7-44.7000111.3V539V539-N541 PolarHBondContact O-N 2.89Å
542T32Very low29.2Very low128 Ų128133.7 Ų133.779%0.78574%0.737SS**PPolyproline II helixtrans-100.6129.9167.845.10000110S540S540-T542 PolarHBondContact O-N 3.48Å; S540-T542 VanDerWaalsContact C-N 3.29Å
543N29.6Very low29Very low160 Ų160135.8 Ų135.886%0.85675%0.752SS**PPolyproline II helixtrans-68.6152.1-163.4-79.6-63.4000114S545N543-S545 PolarHBondContact O-N 3.41Å
544Q24.7Very low28.8Very low200 Ų200140 Ų14094%0.93577%0.772SS**PPolyproline II helixtrans-48.1126.7174.8-60.4166.93.100112.4
545S30.4Very low28.5Very low122 Ų122139.8 Ų139.885%0.85377%0.773SS**  trans-136.1133.715466.40000110.5N543N543-S545 PolarHBondContact O-N 3.41Å
546S28.8Very low28.3Very low115 Ų115144.8 Ų144.880%0.80478%0.784SS**  trans-71.5141.7-160.850.50000115.7
547H24.5Very low28.4Very low177 Ų177147.2 Ų147.282%0.81979%0.792SS**  trans-14.9137.6155-62.3-77.7000118
548N31.3Very low28.4Very low159 Ų159147.8 Ų147.885%0.8580%0.796SS**  -156.2139.1121.9-97.9-46.5000111.2
549P40.7Very low28.4Very low114 Ų114144.6 Ų144.674%0.7479%0.792SS**  trans-91.7135.7-17734.7-32.4000112.1
550I30.3Very low28.5Very low170 Ų170144.9 Ų144.987%0.87279%0.794SS**  trans-122.3136167.5-61.6-175.6000109.9
551K28.6Very low28.5Very low192 Ų192145.2 Ų145.284%0.83580%0.796SS**  trans-73.2150.3-163-65.5165175.8173.60113.6T553K551-T553 PolarHBondContact O-N 3.02Å
552N23.9Very low28.6Very low153 Ų153146 Ų14682%0.81880%0.795SS**  trans-27.6118.6158.6-59.61.9000114
553T29.2Very low28.8Very low122 Ų122143.2 Ų143.275%0.74878%0.775SS**  trans-118.4110.5151.347.20000107.8K551 L555K551-T553 PolarHBondContact O-N 3.02Å; T553-L555 PolarHBondContact O-N 3.36Å
554N25.5Very low29.2Very low139 Ų139141.1 Ų141.174%0.74377%0.77SS**  trans-65.7100.4172.2-64.4-22.2000108.8
555L28.4Very low30.1Very low132 Ų132134 Ų13469%0.69174%0.737SS**  trans-103.6108.6154.5-102.374.9000107.7T553 D557T553-L555 PolarHBondContact O-N 3.36Å; L555-D557 PolarHBondContact O-N 2.83Å
556Y25.1Very low30.3Very low226 Ų226133.7 Ų133.789%0.88672%0.722SS**  trans-74.567.2159.4-76.7-93.4000108.3
557D28.8Very low30.7Very low123 Ų123132.5 Ų132.566%0.65871%0.706SS**  trans-84.3119.6155.5-88.9-38.7000106.9L555 V559L555-D557 PolarHBondContact O-N 2.83Å; D557-V559 PolarHBondContact O-N 3.16Å
558S27.1Very low31.2Very low108 Ų108128.2 Ų128.276%0.75569%0.693SS**  trans-6787.1174.352.60000108.8V560S558-V560 PolarHBondContact O-N 3.45Å
559V28.3Very low31.5Very low130 Ų130123.8 Ų123.879%0.78867%0.668SS**  trans-62.395.8162.4-1790000106.1D557 S561D557-V559 PolarHBondContact O-N 3.16Å; V559-S561 PolarHBondContact O-N 3.46Å
560V29.4Very low31.1Very low121 Ų121124 Ų12473%0.73366%0.664SS**  trans-60.598.8161.41780000104.7S558 Q562S558-V560 PolarHBondContact O-N 3.45Å; V560-Q562 PolarHBondContact O-N 3.34Å
561S29.1Very low31.5Very low102 Ų102118.3 Ų118.371%0.71364%0.635SS**  trans-62.6101.917553.70000107.1V559 N563V559-S561 PolarHBondContact O-N 3.46Å; S561-N563 PolarHBondContact O-N 3.4Å
562Q26Very low31.8Very low172 Ų172114.6 Ų114.680%0.80462%0.623SS**  trans-56.4128.5171.5-70.2-178.3-68.300107.5V560 P564V560-Q562 PolarHBondContact O-N 3.34Å; Q562-P564 WeakPolarHBondContact O-CD 3.45Å
563N34.5Very low32.1Very low71 Ų71115.4 Ų115.438%0.3862%0.622SS.*  trans-68.9119-178.7-175.313.6000107.9S561 E565 E566S561-N563 PolarHBondContact O-N 3.4Å; N563-E565 PolarHBondContact ND2-OE2 3.33Å; N563-E565 PolarHBondContact O-N 2.63Å; N563-E565 PolarHBondContact OD1-OE2 2.85Å; N563-E566 PolarHBondContact O-N 2.93Å
564P38.3Very low32.5Very low116 Ų116112.8 Ų112.875%0.75360%0.603SS**THydrogen-bonded Turntrans-64.9-5.7-177.826.5-35.7000113.9Q562Q562-P564 WeakPolarHBondContact O-CD 3.45Å
565E43.4Very low32.8Very low49 Ų49112.3 Ų112.323%0.22960%0.601CS.*THydrogen-bonded Turntrans-77.3-18.3171.2-58.3170.7154.100113.2R149 N563 L567R149-E565 WeakPolarHBondContact CD-OE1 3.42Å; R149-E565 WeakPolarHBondContact CD-OE2 3.4Å; R149-E565 IonicContact NE-OE2 3.95Å; N563-E565 PolarHBondContact ND2-OE2 3.33Å; N563-E565 PolarHBondContact O-N 2.63Å; N563-E565 PolarHBondContact OD1-OE2 2.85Å; E565-L567 PolarHBondContact O-N 3.35Å
566E34.6Very low33.2Very low117 Ų117110.8 Ų110.855%0.54759%0.593SS.*  trans-79.272.5164.1-72.2-165.9143.500109.5N563 V568N563-E566 PolarHBondContact O-N 2.93Å; E566-V568 VanDerWaalsContact C-N 3.27Å; E566-V568 PolarHBondContact O-N 2.69Å
567L38.9Very low33.5Very low90 Ų90106.6 Ų106.647%0.47159%0.586SS.*  trans-58104.8145.4-75.7180000105.8E565 L569E565-L567 PolarHBondContact O-N 3.35Å; L567-L569 PolarHBondContact O-N 3.45Å
568V34.5Very low33.6Very low87 Ų87109.6 Ų109.653%0.52760%0.596SS.*  trans-52.4115.4-176175.20000107.6E566 D570 D571E566-V568 VanDerWaalsContact C-N 3.27Å; E566-V568 PolarHBondContact O-N 2.69Å; V568-D570 PolarHBondContact O-N 3.27Å; V568-D570 HydrophobicContact CG1-CB 3.91Å; V568-D570 CarbonylContact O-C 3.55Å; V568-D571 PolarHBondContact O-N 2.91Å; V568-D571 WeakPolarHBondContact O-CB 3.43Å
569L36.3Very low33.7Very low66 Ų66112.3 Ų112.335%0.34659%0.594SS.*SBendtrans-59.7-22.3-175.6-85.3160.3000112.4Y59 L567 D571Y59-L569 HydrophobicContact CD1-CD1 3.85Å; Y59-L569 HydrophobicContact CD2-CD1 3.45Å; Y59-L569 VanDerWaalsContact CD2-CD1 3.45Å; Y59-L569 HydrophobicContact CE1-CB 4.14Å; Y59-L569 HydrophobicContact CE1-CD1 3.85Å; Y59-L569 HydrophobicContact CE2-CD1 3.45Å; Y59-L569 VanDerWaalsContact CE2-CD1 3.45Å; Y59-L569 HydrophobicContact CG-CD1 3.65Å; L567-L569 PolarHBondContact O-N 3.45Å; L569-D571 PolarHBondContact O-N 3.43Å; L569-D571 VanDerWaalsContact O-N 3.09Å
570D32.7Very low33.9Very low119 Ų119111.3 Ų111.364%0.63659%0.591SS**  trans-80.245.1169-41.3-45.4000111.5V568 I572V568-D570 PolarHBondContact O-N 3.27Å; V568-D570 HydrophobicContact CG1-CB 3.91Å; V568-D570 CarbonylContact O-C 3.55Å; D570-I572 PolarHBondContact O-N 2.91Å
571D38.8Very low33.8Very low50 Ų50112.6 Ų112.627%0.26759%0.594SS.*  trans-73.971.5175.2-14433.9000109.2K194 V568 L569K194-D571 IonicContact NZ-OD2 2.82Å; K194-D571 PolarHBondContact NZ-OD2 3.35Å; V568-D571 PolarHBondContact O-N 2.91Å; V568-D571 WeakPolarHBondContact O-CB 3.43Å; L569-D571 PolarHBondContact O-N 3.43Å; L569-D571 VanDerWaalsContact O-N 3.09Å
572I34.3Very low33.8Very low113 Ų113115.3 Ų115.358%0.57960%0.595SS**  trans50.3131.6158.9-60.8169.6000116.6R261 D570 D574R261-I572 PolarHBondContact NH2-O 2.96Å; D570-I572 PolarHBondContact O-N 2.91Å; I572-D574 PolarHBondContact O-N 3.41Å
573E32Very low33.9Very low171 Ų171116.4 Ų116.480%0.79960%0.597SS**  trans-58.984.5157.1-68.5177.1170.100109N575E573-N575 PolarHBondContact O-N 2.92Å; E573-N575 PolarHBondContact O-ND2 3.39Å
574D36.4Very low33.6Very low66 Ų66120.7 Ų120.735%0.35362%0.615SS.*  trans-63.888.7166.4-76.8-40.2000106.5R261 I572 D576R261-D574 IonicContact CZ-OD2 2.89Å; R261-D574 IonicContact NH1-OD2 2.68Å; R261-D574 PolarHBondContact NH1-OD2 3.09Å; R261-D574 IonicContact NH2-OD2 2.66Å; R261-D574 PolarHBondContact NH2-OD2 3.16Å; I572-D574 PolarHBondContact O-N 3.41Å; D574-D576 PolarHBondContact O-N 3.1Å
575N32.2Very low33Very low130 Ų130120.4 Ų120.470%0.69562%0.616SS**  trans-66.383.6163.7-72.4-87.1000105.9E573 D577E573-N575 PolarHBondContact O-N 2.92Å; E573-N575 PolarHBondContact O-ND2 3.39Å; N575-D577 PolarHBondContact O-N 3.33Å
576D36.1Very low32.3Very low100 Ų100123.9 Ų123.954%0.53564%0.64SS.*  trans-65.880.5169.2-86.9-35.1000107.4R193 D574 E578R193-D576 IonicContact NH1-OD2 2.64Å; D574-D576 PolarHBondContact O-N 3.1Å; D576-E578 VanDerWaalsContact O-N 3.1Å; D576-E578 PolarHBondContact O-N 3.46Å
577D33.1Very low31.9Very low137 Ų137126 Ų12673%0.73366%0.655SS**  trans-53.7115.1171.6-88.3-36.1000108.7N575 F579N575-D577 PolarHBondContact O-N 3.33Å; D577-F579 PolarHBondContact O-N 3.47Å
578E30.2Very low31.5Very low186 Ų186127.8 Ų127.887%0.86967%0.669SS**  trans-55.2102.4-174.7-157.9177.4-151.500110.8D576 P580D576-E578 VanDerWaalsContact O-N 3.1Å; D576-E578 PolarHBondContact O-N 3.46Å; E578-P580 WeakPolarHBondContact O-CD 3.34Å; E578-P580 VanDerWaalsContact O-N 3.14Å
579F29.2Very low31.2Very low165 Ų165128.6 Ų128.672%0.72468%0.679SS**  trans-59.2113.2-172.4-77.2-83.9000112.4D577D577-F579 PolarHBondContact O-N 3.47Å
580P31.9Very low30.7Very low110 Ų110134.4 Ų134.471%0.71470%0.704SS**  trans-75.8130.6173.7-11.329.3000109.8E578 E582E578-P580 WeakPolarHBondContact O-CD 3.34Å; E578-P580 VanDerWaalsContact O-N 3.14Å; P580-E582 VanDerWaalsContact C-N 3.27Å; P580-E582 PolarHBondContact O-N 3.01Å
581N27.8Very low30.6Very low148 Ų148137.5 Ų137.579%0.79171%0.714SS**  trans-70.972.4177.5-78.2-57.8000112.6F583N581-F583 PolarHBondContact O-N 3.39Å
582E28.6Very low29.9Very low159 Ų159143 Ų14374%0.74374%0.744SS**  trans-90.898.7170.8-69.3-151.6144.300112P580 H584P580-E582 VanDerWaalsContact C-N 3.27Å; P580-E582 PolarHBondContact O-N 3.01Å; E582-H584 PolarHBondContact O-N 3.5Å
583F27.7Very low29.7Very low195 Ų195141.5 Ų141.586%0.85575%0.748SS**  trans-64.292.8171.2-77.4-98.7000111.7N581N581-F583 PolarHBondContact O-N 3.39Å
584H28.6Very low29.3Very low160 Ų160139.3 Ų139.374%0.74175%0.752SS**  trans-92.299.3163.1-83.8-42.1000111.9E582 V586E582-H584 PolarHBondContact O-N 3.5Å; H584-V586 PolarHBondContact O-N 3.12Å; H584-V586 VanDerWaalsContact O-N 3.09Å
585S26.5Very low28.9Very low111 Ų111145.7 Ų145.778%0.77677%0.773SS**  trans-64.4101.717456.70000111.7
586V29Very low28.6Very low121 Ų121144.2 Ų144.273%0.73377%0.773SS**  trans-90.6107169.5-174.30000109H584 V588H584-V586 PolarHBondContact O-N 3.12Å; H584-V586 VanDerWaalsContact O-N 3.09Å; V586-V588 VanDerWaalsContact O-N 3.15Å; V586-V588 PolarHBondContact O-N 2.93Å; V586-V588 HydrophobicContact CG1-CG2 3.96Å
587N25.9Very low28.2Very low163 Ų163148.5 Ų148.587%0.87279%0.789SS**  trans-66.9108170.2-81.6-38.8000109.8
588V30.1Very low28Very low126 Ų126150.3 Ų150.376%0.76479%0.791SS**  trans-113.3133.7165.5-175.40000108.9V586V586-V588 VanDerWaalsContact O-N 3.15Å; V586-V588 PolarHBondContact O-N 2.93Å; V586-V588 HydrophobicContact CG1-CG2 3.96Å
589S27.9Very low28Very low105 Ų105147.7 Ų147.773%0.73479%0.788SS**  trans-70.5148.3-170.148.10000114H591S589-H591 PolarHBondContact O-N 3.35Å
590Q26.5Very low27.9Very low188 Ų188146.3 Ų146.388%0.87979%0.788SS**  trans-50.6127.6173.2-64.4166.1-35.100112.6
591H29.9Very low27.9Very low183 Ų183147.4 Ų147.485%0.84779%0.788SS**  trans-147.4133.5149.4-106.4-68.1000109.5S589 A593S589-H591 PolarHBondContact O-N 3.35Å; H591-A593 PolarHBondContact O-N 2.88Å
592D24.9Very low28Very low165 Ų165147.5 Ų147.588%0.88279%0.788SS**  trans-69.3124.5-170-56.9-75.2000113.3
593A29Very low28Very low82 Ų82148.6 Ų148.668%0.67879%0.79SS**  trans-146.1111.6156.500000108.6H591 Y595H591-A593 PolarHBondContact O-N 2.88Å; A593-Y595 PolarHBondContact O-N 2.79Å
594S24.5Very low28Very low126 Ų126144.8 Ų144.888%0.88179%0.788SS**  trans-74.392.6-178.454.60000111.1
595Y26.6Very low28.3Very low199 Ų199143.2 Ų143.278%0.7878%0.781SS**  trans-95136.2162.7-94.8-89.5000110.8A593A593-Y595 PolarHBondContact O-N 2.79Å
596S27Very low28.6Very low100 Ų100145.4 Ų145.470%0.69978%0.779SS**  trans-58.7151.8179.537.30000111.7F598S596-F598 PolarHBondContact O-N 3.15Å
597Q27Very low28.9Very low189 Ų189143.4 Ų143.488%0.88377%0.767SS**  trans-62.1103.7-173.1-68170.3-23.100111.5T599Q597-T599 PolarHBondContact O-N 2.83Å; Q597-T599 VanDerWaalsContact O-N 3.11Å
598F28.9Very low29.5Very low176 Ų176138.4 Ų138.477%0.77274%0.736SS**  trans-61111.3164.1-81.1-90.8000109.3S596 N600S596-F598 PolarHBondContact O-N 3.15Å; F598-N600 PolarHBondContact O-N 2.85Å
599T29.6Very low29.9Very low131 Ų131136.4 Ų136.480%0.80472%0.72SS**  trans-70.499.516944.50000109Q597 L601Q597-T599 PolarHBondContact O-N 2.83Å; Q597-T599 VanDerWaalsContact O-N 3.11Å; T599-L601 PolarHBondContact O-N 3.31Å
600N28.5Very low30.2Very low136 Ų136132.4 Ų132.473%0.72769%0.692SS**  trans-54.1106.9174-83-50000111.3F598 N602F598-N600 PolarHBondContact O-N 2.85Å; N600-N602 PolarHBondContact O-N 2.83Å
601L32.6Very low30.6Very low133 Ų133131.6 Ų131.670%0.69669%0.688SS**  trans-71.272.2156.6-84.1158.6000108.7T599T599-L601 PolarHBondContact O-N 3.31Å
602N28.5Very low30.7Very low149 Ų149129.2 Ų129.280%0.79768%0.681SS**  trans-13429.6165.5-95.9-29.9000109.6N600 S604N600-N602 PolarHBondContact O-N 2.83Å; N602-S604 PolarHBondContact O-N 2.89Å
603K28.1Very low30.9Very low182 Ų182128.8 Ų128.879%0.79168%0.677SS**SBendtrans-86.786.2169.6-83.2-169.4174.8-178.30109.6E605K603-E605 VanDerWaalsContact O-N 3.09Å; K603-E605 PolarHBondContact O-N 3.31Å
604S29.3Very low31Very low115 Ų115130.2 Ų130.280%0.80468%0.68SS**  trans45.951.115361.70000115.6N602N602-S604 PolarHBondContact O-N 2.89Å
605E34.6Very low31.4Very low127 Ų127132.6 Ų132.659%0.59368%0.683SS**  trans-76.5125161.4-71.5-179.9-178.400107.9K603 V607K603-E605 VanDerWaalsContact O-N 3.09Å; K603-E605 PolarHBondContact O-N 3.31Å; E605-V607 VanDerWaalsContact C-N 3.31Å; E605-V607 PolarHBondContact O-N 3.2Å
606Q33Very low31.9Very low158 Ų158132.3 Ų132.374%0.73871%0.71SS**  trans-72.489.4174-73.2179.6-20.300108.7Y608Q606-Y608 VanDerWaalsContact C-N 3.34Å; Q606-Y608 PolarHBondContact O-N 3.12Å
607V34Very low32.1Very low79 Ų79133.9 Ų133.948%0.47971%0.71SS.*  trans-72.993.5169.8-177.10000107.8E605 I609E605-V607 VanDerWaalsContact C-N 3.31Å; E605-V607 PolarHBondContact O-N 3.2Å; V607-I609 HydrophobicContact CG1-CG1 4.19Å
608Y38.5Very low32.4Very low57 Ų57131 Ų13122%0.22470%0.701CS.*  trans-65.9131.7166.8179.9-111.1000109.2E23 A24 Q606 P610E23-Y608 HydrophobicContact CG-CE2 4.44Å; E23-Y608 VanDerWaalsContact CG-OH 3.26Å; E23-Y608 WeakPolarHBondContact CG-OH 3.43Å; A24-Y608 HydrophobicContact CB-CD1 3.85Å; A24-Y608 HydrophobicContact CB-CE1 4.18Å; A24-Y608 HydrophobicContact CB-CG 4.2Å; Q606-Y608 VanDerWaalsContact C-N 3.34Å; Q606-Y608 PolarHBondContact O-N 3.12Å; Y608-P610 HydrophobicContact CD1-CG 4.21Å; Y608-P610 HydrophobicContact CE1-CB 4.21Å; Y608-P610 HydrophobicContact CE1-CG 3.77Å
609I39.1Very low32.6Very low84 Ų84128.5 Ų128.543%0.43170%0.697SS.*  trans-121.8112.2173.7-59.1178000105.7V607 Q611V607-I609 HydrophobicContact CG1-CG1 4.19Å; I609-Q611 PolarHBondContact O-N 3.31Å
610P34.4Very low32.7Very low21 Ų21128.4 Ų128.414%0.13669%0.691CS.*  trans-58127.1177.5-23.332.1000111.3D20 Y608D20-P610 HydrophobicContact CB-CG 4.49Å; D20-P610 WeakPolarHBondContact OD1-CB 3.02Å; Y608-P610 HydrophobicContact CD1-CG 4.21Å; Y608-P610 HydrophobicContact CE1-CB 4.21Å; Y608-P610 HydrophobicContact CE1-CG 3.77Å
611Q34.1Very low33Very low171 Ų171127.9 Ų127.980%0.79969%0.689SS**  trans-110.3119.3168.8-70.2-169.3-24.700108.5I609 L613I609-Q611 PolarHBondContact O-N 3.31Å; Q611-L613 PolarHBondContact O-N 3Å
612L31.9Very low33Very low133 Ų133127.5 Ų127.570%0.69669%0.688SS**PPolyproline II helixtrans-64132.9172.5-82174.4000110.4P259P259-L612 HydrophobicContact CB-CD1 3.9Å; P259-L612 HydrophobicContact CG-CD1 3.58Å
613L30.1Very low33.4Very low156 Ų156126 Ų12682%0.81768%0.68SS**PPolyproline II helixtrans-65.7137.4163.1-76.3164.6000108.9Q611Q611-L613 PolarHBondContact O-N 3Å
614P30Very low33.8Very low113 Ų113121.7 Ų121.773%0.73467%0.672SS**PPolyproline II helixtrans-68.9137.2-179.928.1-34.1000111.2S616P614-S616 PolarHBondContact O-N 3.01Å
615D33.5Very low34.1Very low176 Ų176122.3 Ų122.394%0.94166%0.661SS**PPolyproline II helixtrans-49.9128.9174.1-66.7-40.3000111.6
616S36.4Very low34.1Very low192 Ų192121.8 Ų121.8100%1.34367%0.667SS**  trans-129.90178.774.80000112.6P614P614-S616 PolarHBondContact O-N 3.01Å

Retrieved 616 of 616 residues in 360.9 ms (Link to these results)

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