G4VBH6_SCHMA Loading...

Putative peptide chain release factor

AlphaFold DB , UniProt , Accession G4VBH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 794 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
1M53.9Low77.9Confident206 Ų20683.6 Ų83.6100%1.01542%0.421SS*.  0-42.60-82.7172.3168.600111.7V3 S4M1-V3 PolarHBondContact O-N 2.98Å; M1-V3 VanDerWaalsContact O-N 3.1Å; M1-S4 PolarHBondContact O-N 2.95Å; M1-S4 PolarHBondContact O-OG 2.67Å
2A61.2Low78.8Confident5 Ų589.9 Ų89.94%0.04144%0.436CS..G310 helixtrans-64.4-16.6-175.200000115.8S4 L5 V33 L36 E37A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3Å; A2-L5 HydrophobicContact CB-CD1 4.22Å; A2-V33 HydrophobicContact CB-CG1 3.84Å; A2-L36 HydrophobicContact CB-CD2 3.97Å; A2-E37 HydrophobicContact CB-CG 3.65Å
3V64.8Low79.7Confident113 Ų11388.1 Ų88.169%0.68543%0.426SS*.G310 helixtrans-65.7-30.4-179-1780000113.2M1 V33M1-V3 PolarHBondContact O-N 2.98Å; M1-V3 VanDerWaalsContact O-N 3.1Å; V3-V33 HydrophobicContact CG2-CG1 4.17Å
4S72.2Confident80.5Confident104 Ų10481.8 Ų81.873%0.72740%0.396SS*.G310 helixtrans-93.4-0.9-17553.80000114.8M1 A2M1-S4 PolarHBondContact O-N 2.95Å; M1-S4 PolarHBondContact O-OG 2.67Å; A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3Å
5L77.2Confident81.1Confident30 Ų3083.2 Ų83.216%0.15740%0.399CS..SBendtrans-67.8142.6177.4-59.7171.5000110.4A2 E9 L10 R29 L36A2-L5 HydrophobicContact CB-CD1 4.22Å; L5-E9 WeakPolarHBondContact CA-OE2 3.26Å; L5-E9 HydrophobicContact CB-CB 4.39Å; L5-E9 HydrophobicContact CB-CG 4.44Å; L5-E9 VanDerWaalsContact CD2-CD 3.48Å; L5-E9 HydrophobicContact CD2-CG 3.97Å; L5-L10 HydrophobicContact CB-CB 4.45Å; L5-R29 PolarHBondContact O-NH2 3.48Å; L5-L36 HydrophobicContact CD1-CD2 3.52Å
6R86Confident81.6Confident192 Ų19283.6 Ų83.673%0.72541%0.409SS*.  trans-68159.5168.8-62.4-171.6-171.6-175.23110.1D8 E9 L10R6-D8 VanDerWaalsContact C-N 3.31Å; R6-D8 PolarHBondContact O-N 3.45Å; R6-E9 HydrophobicContact CB-CB 4.3Å; R6-E9 PolarHBondContact N-OE2 3.45Å; R6-E9 VanDerWaalsContact N-OE2 3.17Å; R6-E9 WeakPolarHBondContact O-CB 3.29Å; R6-E9 PolarHBondContact O-N 3.16Å; R6-E9 VanDerWaalsContact O-N 3.08Å; R6-L10 WeakPolarHBondContact O-CB 3.25Å; R6-L10 PolarHBondContact O-N 3.42Å
7D87.4Confident82Confident46 Ų4680.5 Ų80.525%0.24639%0.394CS..Hα-helixtrans-64.3-34.5-174.5-71.6-46.6000112.7E9 L10 R11 I24 R29D7-E9 VanDerWaalsContact C-N 3.31Å; D7-E9 PolarHBondContact O-N 2.89Å; D7-L10 PolarHBondContact O-N 3.35Å; D7-R11 VanDerWaalsContact O-CB 3.31Å; D7-R11 WeakPolarHBondContact O-CB 3.35Å; D7-R11 PolarHBondContact O-N 2.93Å; D7-I24 HydrophobicContact CB-CB 4.29Å; D7-I24 HydrophobicContact CB-CG2 3.95Å; D7-I24 WeakPolarHBondContact O-CD1 3.44Å; D7-I24 WeakPolarHBondContact OD1-CG2 3.4Å; D7-R29 VanDerWaalsContact CG-NH1 3.25Å; D7-R29 WeakPolarHBondContact OD1-CD 3.01Å; D7-R29 VanDerWaalsContact OD1-CG 3.32Å; D7-R29 WeakPolarHBondContact OD1-CG 3.31Å; D7-R29 IonicContact OD1-CZ 3.49Å; D7-R29 VanDerWaalsContact OD1-CZ 3.24Å; D7-R29 IonicContact OD1-NE 2.69Å; D7-R29 PolarHBondContact OD1-NE 3.27Å; D7-R29 IonicContact OD1-NH1 3.55Å; D7-R29 PolarHBondContact OD1-NH1 2.93Å; D7-R29 IonicContact OD2-CZ 3.08Å; D7-R29 IonicContact OD2-NE 3.35Å; D7-R29 IonicContact OD2-NH1 3.8Å; D7-R29 PolarHBondContact OD2-NH1 2.85Å
8D86Confident82.1Confident75 Ų7580.4 Ų80.440%0.40142%0.417SS..Hα-helixtrans-72.3-27.2175.5-43.1-73.2000112.8R6 R12R6-D8 VanDerWaalsContact C-N 3.31Å; R6-D8 PolarHBondContact O-N 3.45Å; D8-R12 WeakPolarHBondContact O-CB 3.15Å; D8-R12 VanDerWaalsContact O-CG 3.25Å; D8-R12 WeakPolarHBondContact O-CG 3.49Å; D8-R12 PolarHBondContact O-N 3.06Å; D8-R12 PolarHBondContact O-NE 3.17Å
9E89.1Confident82.3Confident82 Ų8279.5 Ų79.538%0.38341%0.41SS..Hα-helixtrans-75.4-46.4174.4-166179.2-160.100110L5 R6 D7 R11 R12 E13L5-E9 WeakPolarHBondContact CA-OE2 3.26Å; L5-E9 HydrophobicContact CB-CB 4.39Å; L5-E9 HydrophobicContact CB-CG 4.44Å; L5-E9 VanDerWaalsContact CD2-CD 3.48Å; L5-E9 HydrophobicContact CD2-CG 3.97Å; R6-E9 HydrophobicContact CB-CB 4.3Å; R6-E9 PolarHBondContact N-OE2 3.45Å; R6-E9 VanDerWaalsContact N-OE2 3.17Å; R6-E9 WeakPolarHBondContact O-CB 3.29Å; R6-E9 PolarHBondContact O-N 3.16Å; R6-E9 VanDerWaalsContact O-N 3.08Å; D7-E9 VanDerWaalsContact C-N 3.31Å; D7-E9 PolarHBondContact O-N 2.89Å; E9-R11 VanDerWaalsContact C-N 3.3Å; E9-R11 PolarHBondContact O-N 2.73Å; E9-R12 PolarHBondContact O-N 3.34Å; E9-R12 VanDerWaalsContact O-N 3.15Å; E9-E13 WeakPolarHBondContact O-CB 3.44Å; E9-E13 PolarHBondContact O-N 3.15Å
10L89.5Confident82.4Confident0 Ų081.3 Ų81.30%042%0.42CS..Hα-helixtrans-58.7-39.5170.9178.860.3000111.9L5 R6 D7 L14 I24 R29 V33 L36L5-L10 HydrophobicContact CB-CB 4.45Å; R6-L10 WeakPolarHBondContact O-CB 3.25Å; R6-L10 PolarHBondContact O-N 3.42Å; D7-L10 PolarHBondContact O-N 3.35Å; L10-L14 HydrophobicContact CD1-CD1 4.18Å; L10-L14 HydrophobicContact CD1-CG 4.41Å; L10-L14 HydrophobicContact CG-CD1 4.34Å; L10-L14 WeakPolarHBondContact O-CB 3.1Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.3Å; L10-I24 HydrophobicContact CB-CD1 4.44Å; L10-I24 HydrophobicContact CD2-CD1 4.32Å; L10-I24 HydrophobicContact CD2-CG2 4.34Å; L10-I24 HydrophobicContact CG-CD1 4.2Å; L10-R29 HydrophobicContact CD2-CG 3.92Å; L10-V33 HydrophobicContact CD1-CG2 4.25Å; L10-V33 HydrophobicContact CD2-CG2 3.79Å; L10-L36 HydrophobicContact CD1-CB 4.12Å; L10-L36 HydrophobicContact CD1-CD2 3.94Å
11R89.8Confident82.4Confident67 Ų6777.9 Ų77.925%0.25340%0.403SS..Hα-helixtrans-64.4-43.2173.3175.6171.1-93.1-175.3-5.4112.2D7 E9 K15 P21 G22 I24D7-R11 VanDerWaalsContact O-CB 3.31Å; D7-R11 WeakPolarHBondContact O-CB 3.35Å; D7-R11 PolarHBondContact O-N 2.93Å; E9-R11 VanDerWaalsContact C-N 3.3Å; E9-R11 PolarHBondContact O-N 2.73Å; R11-K15 HydrophobicContact CG-CD 4.45Å; R11-K15 WeakPolarHBondContact O-CG 3.38Å; R11-K15 PolarHBondContact O-N 3.38Å; R11-P21 HydrophobicContact CB-CG 4.3Å; R11-P21 HydrophobicContact CG-CG 4.08Å; R11-G22 PolarHBondContact NH2-O 3.49Å; R11-I24 HydrophobicContact CB-CD1 3.79Å
12R88.9Confident83.7Confident159 Ų15969.1 Ų69.160%0.637%0.365SS*.Hα-helixtrans-66.8-48.9177.3-79.7174.7-71.8175.70.1111.7D8 E9 L14 K15 T16D8-R12 WeakPolarHBondContact O-CB 3.15Å; D8-R12 VanDerWaalsContact O-CG 3.25Å; D8-R12 WeakPolarHBondContact O-CG 3.49Å; D8-R12 PolarHBondContact O-N 3.06Å; D8-R12 PolarHBondContact O-NE 3.17Å; E9-R12 PolarHBondContact O-N 3.34Å; E9-R12 VanDerWaalsContact O-N 3.15Å; R12-L14 VanDerWaalsContact C-N 3.34Å; R12-L14 PolarHBondContact O-N 3.49Å; R12-K15 PolarHBondContact O-N 2.81Å; R12-K15 VanDerWaalsContact O-N 3.12Å; R12-T16 WeakPolarHBondContact O-CG2 3.32Å; R12-T16 PolarHBondContact O-N 2.71Å; R12-T16 PolarHBondContact O-OG1 2.89Å
13E89.5Confident84.5Confident66 Ų6669.6 Ų69.631%0.30837%0.368SS..Hα-helixtrans-62.2-35.7178.7-97.6-70.4111.600113.1E9 T16 L17 L36 Q40E9-E13 WeakPolarHBondContact O-CB 3.44Å; E9-E13 PolarHBondContact O-N 3.15Å; E13-T16 WeakPolarHBondContact CA-OG1 3.38Å; E13-T16 PolarHBondContact O-OG1 3Å; E13-L17 WeakPolarHBondContact O-CG 3.29Å; E13-L17 PolarHBondContact O-N 2.91Å; E13-L36 HydrophobicContact CB-CD1 3.68Å; E13-L36 HydrophobicContact CB-CD2 4.07Å; E13-Q40 PolarHBondContact OE2-NE2 2.79Å
14L90.9Very high85.4Confident0 Ų065.3 Ų65.30%034%0.341CS..Hα-helixtrans-67.1-41.7172.3-78.4171.9000112L10 R12 L17 G18 F19 P21 Y32 K35 L36 L39L10-L14 HydrophobicContact CD1-CD1 4.18Å; L10-L14 HydrophobicContact CD1-CG 4.41Å; L10-L14 HydrophobicContact CG-CD1 4.34Å; L10-L14 WeakPolarHBondContact O-CB 3.1Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.3Å; R12-L14 VanDerWaalsContact C-N 3.34Å; R12-L14 PolarHBondContact O-N 3.49Å; L14-L17 CarbonylContact O-C 3.39Å; L14-L17 PolarHBondContact O-N 3.22Å; L14-L17 VanDerWaalsContact O-N 3.15Å; L14-G18 PolarHBondContact O-N 3.01Å; L14-F19 CarbonylContact C-O 3.54Å; L14-F19 HydrophobicContact CB-CD1 4.18Å; L14-F19 HydrophobicContact CD1-CD1 4.21Å; L14-F19 HydrophobicContact CD1-CE1 4.47Å; L14-F19 HydrophobicContact CD2-CD1 3.95Å; L14-F19 HydrophobicContact CG-CD1 4.35Å; L14-F19 PolarHBondContact O-N 2.89Å; L14-P21 HydrophobicContact CB-CG 4.16Å; L14-P21 HydrophobicContact CD1-CB 4Å; L14-P21 HydrophobicContact CD1-CG 4.06Å; L14-Y32 HydrophobicContact CD1-CD1 3.96Å; L14-Y32 HydrophobicContact CD1-CG 4.05Å; L14-K35 HydrophobicContact CD2-CB 4.38Å; L14-K35 HydrophobicContact CD2-CG 4.02Å; L14-L36 HydrophobicContact CD2-CB 3.93Å; L14-L36 HydrophobicContact CD2-CD1 3.87Å; L14-L36 HydrophobicContact CG-CB 4.39Å; L14-L36 HydrophobicContact CG-CD1 4.02Å; L14-L39 HydrophobicContact CD2-CD1 4.01Å
15K89.7Confident85.9Confident103 Ų10362.8 Ų62.845%0.44832%0.321SS..Hα-helixtrans-65.2-38.9176.4-75.5175.9179.9-950112.6R11 R12 L17 G18 F19 D20R11-K15 HydrophobicContact CG-CD 4.45Å; R11-K15 WeakPolarHBondContact O-CG 3.38Å; R11-K15 PolarHBondContact O-N 3.38Å; R12-K15 PolarHBondContact O-N 2.81Å; R12-K15 VanDerWaalsContact O-N 3.12Å; K15-L17 PolarHBondContact O-N 3.22Å; K15-G18 PolarHBondContact O-N 3.24Å; K15-F19 WeakPolarHBondContact CA-O 3.14Å; K15-F19 PolarHBondContact N-O 2.82Å; K15-D20 VanDerWaalsContact CE-OD1 3.26Å; K15-D20 WeakPolarHBondContact CE-OD1 3.45Å; K15-D20 WeakPolarHBondContact CG-OD1 3.32Å; K15-D20 IonicContact NZ-OD1 3.04Å; K15-D20 PolarHBondContact NZ-OD1 3.28Å
16T89.7Confident86Confident90 Ų9066.2 Ų66.255%0.55235%0.354SS*.Hα-helixtrans-68-13.9174.959.10000113.3R12 E13R12-T16 WeakPolarHBondContact O-CG2 3.32Å; R12-T16 PolarHBondContact O-N 2.71Å; R12-T16 PolarHBondContact O-OG1 2.89Å; E13-T16 WeakPolarHBondContact CA-OG1 3.38Å; E13-T16 PolarHBondContact O-OG1 3Å
17L87.6Confident85.7Confident31 Ų3160.1 Ų60.116%0.16234%0.338CS..THydrogen-bonded Turntrans-103.215.6171.7-61175.2000113.2E13 L14 K15 L36 L39 Q40E13-L17 WeakPolarHBondContact O-CG 3.29Å; E13-L17 PolarHBondContact O-N 2.91Å; L14-L17 CarbonylContact O-C 3.39Å; L14-L17 PolarHBondContact O-N 3.22Å; L14-L17 VanDerWaalsContact O-N 3.15Å; K15-L17 PolarHBondContact O-N 3.22Å; L17-L36 HydrophobicContact CD1-CD1 3.64Å; L17-L39 HydrophobicContact CB-CB 4.17Å; L17-L39 HydrophobicContact CB-CD1 4.03Å; L17-L39 HydrophobicContact CD1-CB 3.77Å; L17-Q40 HydrophobicContact CD1-CG 3.65Å
18G84.6Confident85.6Confident78 Ų7858.1 Ų58.180%0.80433%0.328SS*.THydrogen-bonded Turntrans77.321173.300000115.2L14 K15L14-G18 PolarHBondContact O-N 3.01Å; K15-G18 PolarHBondContact O-N 3.24Å
19F84.9Confident85.6Confident64 Ų6458.3 Ų58.328%0.28132%0.323SS..  trans-122.5118.7177.7-177.6-94.9000110.6L14 K15 P21 Y32 K35 L39L14-F19 CarbonylContact C-O 3.54Å; L14-F19 HydrophobicContact CB-CD1 4.18Å; L14-F19 HydrophobicContact CD1-CD1 4.21Å; L14-F19 HydrophobicContact CD1-CE1 4.47Å; L14-F19 HydrophobicContact CD2-CD1 3.95Å; L14-F19 HydrophobicContact CG-CD1 4.35Å; L14-F19 PolarHBondContact O-N 2.89Å; K15-F19 WeakPolarHBondContact CA-O 3.14Å; K15-F19 PolarHBondContact N-O 2.82Å; F19-P21 HydrophobicContact CE1-CB 4.24Å; F19-P21 WeakPolarHBondContact O-CD 3.46Å; F19-Y32 AromaticContact CE1-CD1 3.91Å; F19-Y32 HydrophobicContact CE1-CD1 3.91Å; F19-Y32 AromaticContact CE1-CE1 3.76Å; F19-Y32 HydrophobicContact CE1-CE1 3.76Å; F19-Y32 HydrophobicContact CZ-CE1 4.21Å; F19-K35 HydrophobicContact CD1-CG 4.18Å; F19-K35 HydrophobicContact CE1-CG 4.11Å; F19-K35 HydrophobicContact CG-CG 4.41Å; F19-K35 HydrophobicContact CZ-CG 4.27Å; F19-L39 HydrophobicContact CB-CD1 3.86Å; F19-L39 HydrophobicContact CG-CD1 4.48Å
20D84.6Confident85.5Confident115 Ų11557.9 Ų57.962%0.61533%0.329SS*.  trans-84.8107173.6-90.9-43.7000110.7K15K15-D20 VanDerWaalsContact CE-OD1 3.26Å; K15-D20 WeakPolarHBondContact CE-OD1 3.45Å; K15-D20 WeakPolarHBondContact CG-OD1 3.32Å; K15-D20 IonicContact NZ-OD1 3.04Å; K15-D20 PolarHBondContact NZ-OD1 3.28Å
21P82.3Confident85.3Confident10 Ų1062 Ų627%0.06535%0.354CS..  trans-78.6145.9172.532.8-34.1000111.3R11 L14 F19 I24 Y32R11-P21 HydrophobicContact CB-CG 4.3Å; R11-P21 HydrophobicContact CG-CG 4.08Å; L14-P21 HydrophobicContact CB-CG 4.16Å; L14-P21 HydrophobicContact CD1-CB 4Å; L14-P21 HydrophobicContact CD1-CG 4.06Å; F19-P21 HydrophobicContact CE1-CB 4.24Å; F19-P21 WeakPolarHBondContact O-CD 3.46Å; P21-I24 HydrophobicContact CB-CD1 4.4Å; P21-I24 HydrophobicContact CB-CG1 4.44Å; P21-I24 HydrophobicContact CG-CD1 4.28Å; P21-Y32 HydrophobicContact CB-CD1 3.9Å; P21-Y32 HydrophobicContact CB-CD2 4.3Å; P21-Y32 HydrophobicContact CB-CE1 3.68Å; P21-Y32 HydrophobicContact CB-CE2 4.06Å; P21-Y32 HydrophobicContact CB-CG 4.24Å
22G81.1Confident85.3Confident21 Ų2159.7 Ų59.722%0.21635%0.345CS..  trans-74-145.7171.600000112.6R11 I24 Y32R11-G22 PolarHBondContact NH2-O 3.49Å; G22-I24 PolarHBondContact O-N 3.17Å; G22-Y32 PolarHBondContact N-OH 3.38Å; G22-Y32 VanDerWaalsContact N-OH 3.12Å
23P78.9Confident85.4Confident16 Ų1652.9 Ų52.910%0.10432%0.321CS..  trans-63.1121.5172.623.7-31.4000110.8T25 T28 I191 Y758P23-T25 HydrophobicContact CB-CG2 4.21Å; P23-T28 PolarHBondContact O-OG1 3.04Å; P23-I191 HydrophobicContact CB-CD1 3.7Å; P23-I191 HydrophobicContact CG-CD1 3.96Å; P23-Y758 HydrophobicContact CG-CD1 4.21Å; P23-Y758 HydrophobicContact CG-CE1 3.57Å
24I82.9Confident85.3Confident23 Ų2357 Ų5712%0.11834%0.338CS..  trans-87.2112.7169.5-51.4-169.6000106.9D7 L10 R11 P21 G22 T28 R29 Y32D7-I24 HydrophobicContact CB-CB 4.29Å; D7-I24 HydrophobicContact CB-CG2 3.95Å; D7-I24 WeakPolarHBondContact O-CD1 3.44Å; D7-I24 WeakPolarHBondContact OD1-CG2 3.4Å; L10-I24 HydrophobicContact CB-CD1 4.44Å; L10-I24 HydrophobicContact CD2-CD1 4.32Å; L10-I24 HydrophobicContact CD2-CG2 4.34Å; L10-I24 HydrophobicContact CG-CD1 4.2Å; R11-I24 HydrophobicContact CB-CD1 3.79Å; P21-I24 HydrophobicContact CB-CD1 4.4Å; P21-I24 HydrophobicContact CB-CG1 4.44Å; P21-I24 HydrophobicContact CG-CD1 4.28Å; G22-I24 PolarHBondContact O-N 3.17Å; I24-T28 WeakPolarHBondContact CA-OG1 3.23Å; I24-R29 HydrophobicContact CG2-CB 3.94Å; I24-R29 HydrophobicContact CG2-CG 4.2Å; I24-Y32 HydrophobicContact CB-CD2 4.37Å; I24-Y32 HydrophobicContact CD1-CD2 4.27Å; I24-Y32 HydrophobicContact CG1-CD2 3.77Å; I24-Y32 HydrophobicContact CG1-CE2 3.97Å; I24-Y32 HydrophobicContact CG2-CD2 4.28Å
25T82.9Confident85.2Confident51 Ų5160.3 Ų60.331%0.31335%0.352SS..  trans-126.7170179.370.20000108.6P23 T27 T28 R29P23-T25 HydrophobicContact CB-CG2 4.21Å; T25-T27 PolarHBondContact O-N 3.17Å; T25-T27 PolarHBondContact OG1-N 3.1Å; T25-T27 PolarHBondContact OG1-OG1 2.75Å; T25-T27 VanDerWaalsContact OG1-OG1 3.1Å; T25-T28 PolarHBondContact N-OG1 3.17Å; T25-T28 PolarHBondContact O-N 2.69Å; T25-T28 PolarHBondContact OG1-N 3.24Å; T25-T28 PolarHBondContact OG1-OG1 3.45Å; T25-R29 VanDerWaalsContact O-CB 3.3Å; T25-R29 WeakPolarHBondContact O-CB 3.43Å; T25-R29 PolarHBondContact O-N 3.27Å
26A80.7Confident85.2Confident102 Ų10255.4 Ų55.484%0.84333%0.331SS*.THydrogen-bonded Turntrans-51.8-29.3174.200000113.5
27T78.8Confident85.2Confident64 Ų6455.2 Ų55.239%0.39332%0.324SS..THydrogen-bonded Turntrans-83.3-35.8177.765.90000113.3T25T25-T27 PolarHBondContact O-N 3.17Å; T25-T27 PolarHBondContact OG1-N 3.1Å; T25-T27 PolarHBondContact OG1-OG1 2.75Å; T25-T27 VanDerWaalsContact OG1-OG1 3.1Å
28T84.5Confident85.3Confident3 Ų359.3 Ų59.32%0.01834%0.34CS..THydrogen-bonded Turntrans-89.8-26.8-177.361.60000114P23 I24 T25 S30 V31 Y32 L763P23-T28 PolarHBondContact O-OG1 3.04Å; I24-T28 WeakPolarHBondContact CA-OG1 3.23Å; T25-T28 PolarHBondContact N-OG1 3.17Å; T25-T28 PolarHBondContact O-N 2.69Å; T25-T28 PolarHBondContact OG1-N 3.24Å; T25-T28 PolarHBondContact OG1-OG1 3.45Å; T28-S30 VanDerWaalsContact C-N 3.28Å; T28-S30 PolarHBondContact O-N 3.2Å; T28-V31 WeakPolarHBondContact O-CA 3.34Å; T28-V31 WeakPolarHBondContact O-CB 3.46Å; T28-V31 PolarHBondContact O-N 3.19Å; T28-Y32 WeakPolarHBondContact O-CD2 3.3Å; T28-Y32 PolarHBondContact O-N 3.06Å; T28-L763 HydrophobicContact CG2-CB 3.98Å; T28-L763 HydrophobicContact CG2-CD2 3.88Å
29R87.4Confident85.5Confident80 Ų8056.9 Ų56.930%0.30231%0.309SS..Hα-helixtrans-50.7-44.1-179.4-172178.6-174155.7-8.4112.7L5 D7 L10 I24 T25 V31 Y32 V33L5-R29 PolarHBondContact O-NH2 3.48Å; D7-R29 VanDerWaalsContact CG-NH1 3.25Å; D7-R29 WeakPolarHBondContact OD1-CD 3.01Å; D7-R29 VanDerWaalsContact OD1-CG 3.32Å; D7-R29 WeakPolarHBondContact OD1-CG 3.31Å; D7-R29 IonicContact OD1-CZ 3.49Å; D7-R29 VanDerWaalsContact OD1-CZ 3.24Å; D7-R29 IonicContact OD1-NE 2.69Å; D7-R29 PolarHBondContact OD1-NE 3.27Å; D7-R29 IonicContact OD1-NH1 3.55Å; D7-R29 PolarHBondContact OD1-NH1 2.93Å; D7-R29 IonicContact OD2-CZ 3.08Å; D7-R29 IonicContact OD2-NE 3.35Å; D7-R29 IonicContact OD2-NH1 3.8Å; D7-R29 PolarHBondContact OD2-NH1 2.85Å; L10-R29 HydrophobicContact CD2-CG 3.92Å; I24-R29 HydrophobicContact CG2-CB 3.94Å; I24-R29 HydrophobicContact CG2-CG 4.2Å; T25-R29 VanDerWaalsContact O-CB 3.3Å; T25-R29 WeakPolarHBondContact O-CB 3.43Å; T25-R29 PolarHBondContact O-N 3.27Å; R29-V31 VanDerWaalsContact C-N 3.26Å; R29-V31 PolarHBondContact O-N 2.85Å; R29-Y32 PolarHBondContact O-N 3.01Å; R29-V33 HydrophobicContact CG-CG2 4.37Å; R29-V33 WeakPolarHBondContact O-CB 3.12Å; R29-V33 VanDerWaalsContact O-CG2 3.31Å; R29-V33 WeakPolarHBondContact O-CG2 3.47Å; R29-V33 PolarHBondContact O-N 3.28Å
30S85.7Confident85.6Confident72 Ų7256.6 Ų56.650%0.50331%0.308SS..Hα-helixtrans-63.9-26.5178.971.70000114.5T28 K34T28-S30 VanDerWaalsContact C-N 3.28Å; T28-S30 PolarHBondContact O-N 3.2Å; S30-K34 WeakPolarHBondContact O-CG 3.32Å
31V86.2Confident85.8Confident87 Ų8758.7 Ų58.753%0.52731%0.312SS..Hα-helixtrans-80.5-43.3174.7-176.60000109.9T28 R29 K34 K35T28-V31 WeakPolarHBondContact O-CA 3.34Å; T28-V31 WeakPolarHBondContact O-CB 3.46Å; T28-V31 PolarHBondContact O-N 3.19Å; R29-V31 VanDerWaalsContact C-N 3.26Å; R29-V31 PolarHBondContact O-N 2.85Å; V31-K34 PolarHBondContact O-N 2.88Å; V31-K35 WeakPolarHBondContact O-CB 3.45Å; V31-K35 PolarHBondContact O-N 3.14Å
32Y90.4Very high85.8Confident19 Ų1962.3 Ų62.38%0.07533%0.328CS..Hα-helixtrans-65.5-39.8178.1-70.9-42000112.8L14 F19 P21 G22 I24 T28 R29 K34 K35 L36 Y758L14-Y32 HydrophobicContact CD1-CD1 3.96Å; L14-Y32 HydrophobicContact CD1-CG 4.05Å; F19-Y32 AromaticContact CE1-CD1 3.91Å; F19-Y32 HydrophobicContact CE1-CD1 3.91Å; F19-Y32 AromaticContact CE1-CE1 3.76Å; F19-Y32 HydrophobicContact CE1-CE1 3.76Å; F19-Y32 HydrophobicContact CZ-CE1 4.21Å; P21-Y32 HydrophobicContact CB-CD1 3.9Å; P21-Y32 HydrophobicContact CB-CD2 4.3Å; P21-Y32 HydrophobicContact CB-CE1 3.68Å; P21-Y32 HydrophobicContact CB-CE2 4.06Å; P21-Y32 HydrophobicContact CB-CG 4.24Å; G22-Y32 PolarHBondContact N-OH 3.38Å; G22-Y32 VanDerWaalsContact N-OH 3.12Å; I24-Y32 HydrophobicContact CB-CD2 4.37Å; I24-Y32 HydrophobicContact CD1-CD2 4.27Å; I24-Y32 HydrophobicContact CG1-CD2 3.77Å; I24-Y32 HydrophobicContact CG1-CE2 3.97Å; I24-Y32 HydrophobicContact CG2-CD2 4.28Å; T28-Y32 WeakPolarHBondContact O-CD2 3.3Å; T28-Y32 PolarHBondContact O-N 3.06Å; R29-Y32 PolarHBondContact O-N 3.01Å; Y32-K34 PolarHBondContact O-N 2.91Å; Y32-K35 PolarHBondContact O-N 3.49Å; Y32-L36 PolarHBondContact O-N 3.1Å; Y32-Y758 PolarHBondContact OH-OH 3.01Å
33V89.1Confident85.9Confident15 Ų1568 Ų689%0.09134%0.343CS..Hα-helixtrans-56.7-47170.61670000111.3A2 V3 L10 R29 L36 E37A2-V33 HydrophobicContact CB-CG1 3.84Å; V3-V33 HydrophobicContact CG2-CG1 4.17Å; L10-V33 HydrophobicContact CD1-CG2 4.25Å; L10-V33 HydrophobicContact CD2-CG2 3.79Å; R29-V33 HydrophobicContact CG-CG2 4.37Å; R29-V33 WeakPolarHBondContact O-CB 3.12Å; R29-V33 VanDerWaalsContact O-CG2 3.31Å; R29-V33 WeakPolarHBondContact O-CG2 3.47Å; R29-V33 PolarHBondContact O-N 3.28Å; V33-L36 WeakPolarHBondContact O-CB 3.45Å; V33-L36 PolarHBondContact O-N 3.1Å; V33-E37 PolarHBondContact O-N 3.33Å
34K88.9Confident85.8Confident153 Ų15374.2 Ų74.267%0.66537%0.368SS*.Hα-helixtrans-68-35.3177.6-73.3177.5179178.20113.2S30 V31 Y32 L36 K38S30-K34 WeakPolarHBondContact O-CG 3.32Å; V31-K34 PolarHBondContact O-N 2.88Å; Y32-K34 PolarHBondContact O-N 2.91Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-K38 WeakPolarHBondContact O-CB 3.44Å; K34-K38 PolarHBondContact O-N 3.23Å
35K87.8Confident85.3Confident69 Ų6976.7 Ų76.730%0.339%0.387SS..Hα-helixtrans-65.4-38.7173.6178.958.4170.5168.20110.8L14 F19 V31 Y32 K38 L39L14-K35 HydrophobicContact CD2-CB 4.38Å; L14-K35 HydrophobicContact CD2-CG 4.02Å; F19-K35 HydrophobicContact CD1-CG 4.18Å; F19-K35 HydrophobicContact CE1-CG 4.11Å; F19-K35 HydrophobicContact CG-CG 4.41Å; F19-K35 HydrophobicContact CZ-CG 4.27Å; V31-K35 WeakPolarHBondContact O-CB 3.45Å; V31-K35 PolarHBondContact O-N 3.14Å; Y32-K35 PolarHBondContact O-N 3.49Å; K35-K38 PolarHBondContact O-N 2.99Å; K35-L39 HydrophobicContact CD-CD1 4.2Å; K35-L39 HydrophobicContact CD-CG 4.23Å; K35-L39 HydrophobicContact CG-CD1 4.2Å; K35-L39 WeakPolarHBondContact O-CG 3.25Å; K35-L39 PolarHBondContact O-N 3.49Å
36L90.3Very high84.7Confident0 Ų077.7 Ų77.70%040%0.397CS..Hα-helixtrans-63.7-51.7175-171.673.4000111.3A2 L5 L10 E13 L14 L17 Y32 V33 K34 K38 L39 Q40A2-L36 HydrophobicContact CB-CD2 3.97Å; L5-L36 HydrophobicContact CD1-CD2 3.52Å; L10-L36 HydrophobicContact CD1-CB 4.12Å; L10-L36 HydrophobicContact CD1-CD2 3.94Å; E13-L36 HydrophobicContact CB-CD1 3.68Å; E13-L36 HydrophobicContact CB-CD2 4.07Å; L14-L36 HydrophobicContact CD2-CB 3.93Å; L14-L36 HydrophobicContact CD2-CD1 3.87Å; L14-L36 HydrophobicContact CG-CB 4.39Å; L14-L36 HydrophobicContact CG-CD1 4.02Å; L17-L36 HydrophobicContact CD1-CD1 3.64Å; Y32-L36 PolarHBondContact O-N 3.1Å; V33-L36 WeakPolarHBondContact O-CB 3.45Å; V33-L36 PolarHBondContact O-N 3.1Å; K34-L36 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 3.2Å; L36-L39 PolarHBondContact O-N 3.18Å; L36-L39 VanDerWaalsContact O-N 3.15Å; L36-Q40 HydrophobicContact CD1-CG 4.47Å; L36-Q40 HydrophobicContact CG-CG 4.28Å; L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 WeakPolarHBondContact O-CG 3.44Å; L36-Q40 PolarHBondContact O-N 2.76Å
37E89.2Confident84.2Confident86 Ų8677.3 Ų77.340%0.40238%0.379SS..Hα-helixtrans-60.3-33.7178.9-68.9-175.7152.700112.2A2 V33 K41A2-E37 HydrophobicContact CB-CG 3.65Å; V33-E37 PolarHBondContact O-N 3.33Å; E37-K41 WeakPolarHBondContact O-CB 3.44Å; E37-K41 PolarHBondContact O-N 2.91Å; E37-K41 VanDerWaalsContact O-N 3.12Å
38K89.8Confident83.3Confident118 Ų11878.4 Ų78.451%0.51339%0.386SS..Hα-helixtrans-65.7-52.3171.5-178.8174.5170.31770112.2K34 K35 L36 Q40 K41 E42K34-K38 WeakPolarHBondContact O-CB 3.44Å; K34-K38 PolarHBondContact O-N 3.23Å; K35-K38 PolarHBondContact O-N 2.99Å; L36-K38 PolarHBondContact O-N 3.2Å; K38-Q40 PolarHBondContact O-N 2.86Å; K38-K41 WeakPolarHBondContact O-CB 3.3Å; K38-K41 PolarHBondContact O-N 2.8Å; K38-K41 VanDerWaalsContact O-N 3.11Å; K38-E42 WeakPolarHBondContact CE-OE1 3.41Å; K38-E42 WeakPolarHBondContact CE-OE2 3.43Å; K38-E42 HydrophobicContact CG-CG 4.47Å; K38-E42 IonicContact NZ-OE1 2.82Å; K38-E42 PolarHBondContact NZ-OE1 2.85Å; K38-E42 WeakPolarHBondContact O-CG 3.28Å; K38-E42 PolarHBondContact O-N 2.83Å
39L88.4Confident81.9Confident27 Ų2780.5 Ų80.514%0.14141%0.408CS..Hα-helixtrans-63.1-40.7-179-71.7172000112.2L14 L17 F19 K35 L36 K41 E42 R43L14-L39 HydrophobicContact CD2-CD1 4.01Å; L17-L39 HydrophobicContact CB-CB 4.17Å; L17-L39 HydrophobicContact CB-CD1 4.03Å; L17-L39 HydrophobicContact CD1-CB 3.77Å; F19-L39 HydrophobicContact CB-CD1 3.86Å; F19-L39 HydrophobicContact CG-CD1 4.48Å; K35-L39 HydrophobicContact CD-CD1 4.2Å; K35-L39 HydrophobicContact CD-CG 4.23Å; K35-L39 HydrophobicContact CG-CD1 4.2Å; K35-L39 WeakPolarHBondContact O-CG 3.25Å; K35-L39 PolarHBondContact O-N 3.49Å; L36-L39 PolarHBondContact O-N 3.18Å; L36-L39 VanDerWaalsContact O-N 3.15Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.28Å; L39-E42 PolarHBondContact O-N 2.93Å; L39-R43 WeakPolarHBondContact O-CB 3.23Å; L39-R43 PolarHBondContact O-N 2.77Å
40Q87.7Confident80.3Confident57 Ų5782.4 Ų82.427%0.26643%0.429SS..Hα-helixtrans-63.4-34174-71.9-176.3-8.800112E13 L17 L36 K38 K44E13-Q40 PolarHBondContact OE2-NE2 2.79Å; L17-Q40 HydrophobicContact CD1-CG 3.65Å; L36-Q40 HydrophobicContact CD1-CG 4.47Å; L36-Q40 HydrophobicContact CG-CG 4.28Å; L36-Q40 WeakPolarHBondContact O-CB 3.49Å; L36-Q40 WeakPolarHBondContact O-CG 3.44Å; L36-Q40 PolarHBondContact O-N 2.76Å; K38-Q40 PolarHBondContact O-N 2.86Å; Q40-K44 VanDerWaalsContact O-CG 3.31Å; Q40-K44 WeakPolarHBondContact O-CG 3.36Å; Q40-K44 PolarHBondContact O-N 3.21Å; Q40-K44 VanDerWaalsContact O-N 3.16Å
41K87.7Confident78.8Confident159 Ų15985.3 Ų85.369%0.69144%0.438SS*.Hα-helixtrans-70.1-45.5173.4-172.6176.2-179179.10111.8E37 K38 L39 R43 K44 S45E37-K41 WeakPolarHBondContact O-CB 3.44Å; E37-K41 PolarHBondContact O-N 2.91Å; E37-K41 VanDerWaalsContact O-N 3.12Å; K38-K41 WeakPolarHBondContact O-CB 3.3Å; K38-K41 PolarHBondContact O-N 2.8Å; K38-K41 VanDerWaalsContact O-N 3.11Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.28Å; K41-R43 PolarHBondContact O-N 2.86Å; K41-K44 PolarHBondContact O-N 2.93Å; K41-K44 VanDerWaalsContact O-N 3.14Å; K41-S45 PolarHBondContact O-N 3.34Å; K41-S45 PolarHBondContact O-OG 2.79Å; K41-S45 VanDerWaalsContact O-OG 3.14Å
42E84Confident77.1Confident87 Ų8786.2 Ų86.241%0.40744%0.444SS..Hα-helixtrans-60.1-44178.6-73.2171.2151.500111.3K38 L39 K44 S45 S46K38-E42 WeakPolarHBondContact CE-OE1 3.41Å; K38-E42 WeakPolarHBondContact CE-OE2 3.43Å; K38-E42 HydrophobicContact CG-CG 4.47Å; K38-E42 IonicContact NZ-OE1 2.82Å; K38-E42 PolarHBondContact NZ-OE1 2.85Å; K38-E42 WeakPolarHBondContact O-CG 3.28Å; K38-E42 PolarHBondContact O-N 2.83Å; L39-E42 PolarHBondContact O-N 2.93Å; E42-K44 PolarHBondContact O-N 2.94Å; E42-S45 WeakPolarHBondContact CA-OG 3.45Å; E42-S45 PolarHBondContact O-N 3.05Å; E42-S45 PolarHBondContact O-OG 2.99Å; E42-S46 PolarHBondContact O-N 3.11Å; E42-S46 VanDerWaalsContact O-N 3.1Å
43R82.1Confident75Confident140 Ų14094.1 Ų94.153%0.52848%0.478SS..Hα-helixtrans-64.9-32.9174-172.4175.3179.1-174.20.8113.6L39 K41 S46 I47L39-R43 WeakPolarHBondContact O-CB 3.23Å; L39-R43 PolarHBondContact O-N 2.77Å; K41-R43 PolarHBondContact O-N 2.86Å; R43-S46 PolarHBondContact O-OG 3.4Å; R43-S46 VanDerWaalsContact O-OG 3.11Å; R43-I47 HydrophobicContact CG-CD1 4.3Å; R43-I47 WeakPolarHBondContact O-CD1 3.08Å; R43-I47 WeakPolarHBondContact O-CG1 3.46Å; R43-I47 PolarHBondContact O-N 2.93Å
44K77.5Confident72.6Confident147 Ų147101.5 Ų101.564%0.63951%0.512SS*.Hα-helixtrans-70.2-39.7173.7-77.9175.5-179.7-179.50111.8Q40 K41 E42 V48Q40-K44 VanDerWaalsContact O-CG 3.31Å; Q40-K44 WeakPolarHBondContact O-CG 3.36Å; Q40-K44 PolarHBondContact O-N 3.21Å; Q40-K44 VanDerWaalsContact O-N 3.16Å; K41-K44 PolarHBondContact O-N 2.93Å; K41-K44 VanDerWaalsContact O-N 3.14Å; E42-K44 PolarHBondContact O-N 2.94Å; K44-V48 WeakPolarHBondContact O-CG2 3.44Å; K44-V48 PolarHBondContact O-N 2.68Å
45S73.1Confident70.4Confident74 Ų74101.4 Ų101.452%0.51752%0.524SS..Hα-helixtrans-65.9-37.7175.738.60000113.7K41 E42 G49K41-S45 PolarHBondContact O-N 3.34Å; K41-S45 PolarHBondContact O-OG 2.79Å; K41-S45 VanDerWaalsContact O-OG 3.14Å; E42-S45 WeakPolarHBondContact CA-OG 3.45Å; E42-S45 PolarHBondContact O-N 3.05Å; E42-S45 PolarHBondContact O-OG 2.99Å; S45-G49 PolarHBondContact O-N 3.44Å
46S69.7Low67.9Low73 Ų73103.5 Ų103.551%0.5155%0.547SS..Hα-helixtrans-69-35.7178.558.90000113E42 R43E42-S46 PolarHBondContact O-N 3.11Å; E42-S46 VanDerWaalsContact O-N 3.1Å; R43-S46 PolarHBondContact O-OG 3.4Å; R43-S46 VanDerWaalsContact O-OG 3.11Å
47I69.9Low65.5Low93 Ų93112.2 Ų112.248%0.47759%0.588SS.*Hα-helixtrans-67.4-45175.5-67.5168.6000111.3R43 G49 V50 L51R43-I47 HydrophobicContact CG-CD1 4.3Å; R43-I47 WeakPolarHBondContact O-CD1 3.08Å; R43-I47 WeakPolarHBondContact O-CG1 3.46Å; R43-I47 PolarHBondContact O-N 2.93Å; I47-G49 PolarHBondContact O-N 3.46Å; I47-V50 PolarHBondContact O-N 2.69Å; I47-L51 HydrophobicContact CG2-CD1 4.18Å; I47-L51 PolarHBondContact O-N 2.62Å
48V60.5Low62.9Low87 Ų87114.8 Ų114.853%0.52761%0.61SS.*Hα-helixtrans-63.9-42.1178.7174.40000111.4K44 V50 L51 T52K44-V48 WeakPolarHBondContact O-CG2 3.44Å; K44-V48 PolarHBondContact O-N 2.68Å; V48-V50 PolarHBondContact O-N 3.18Å; V48-V50 VanDerWaalsContact O-N 3.15Å; V48-L51 PolarHBondContact O-N 3.08Å; V48-L51 VanDerWaalsContact O-N 3.07Å; V48-T52 HydrophobicContact CG1-CG2 3.97Å; V48-T52 PolarHBondContact O-N 2.78Å; V48-T52 PolarHBondContact O-OG1 3.4Å
49G53.5Low60.3Low48 Ų48114.6 Ų114.650%0.49562%0.621SS.*Hα-helixtrans-64.3-15.9179.900000115.6S45 I47S45-G49 PolarHBondContact O-N 3.44Å; I47-G49 PolarHBondContact O-N 3.46Å
50V55.6Low57.8Low120 Ų120123.6 Ų123.673%0.72766%0.658SS**Hα-helixtrans-89.7-34.5172.2174.50000111.5I47 V48I47-V50 PolarHBondContact O-N 2.69Å; V48-V50 PolarHBondContact O-N 3.18Å; V48-V50 VanDerWaalsContact O-N 3.15Å
51L53.7Low55.3Low132 Ų132129.9 Ų129.969%0.69169%0.688SS**Hα-helixtrans-81.6-25.6-177.1-88.4157.7000114.4I47 V48 K53I47-L51 HydrophobicContact CG2-CD1 4.18Å; I47-L51 PolarHBondContact O-N 2.62Å; V48-L51 PolarHBondContact O-N 3.08Å; V48-L51 VanDerWaalsContact O-N 3.07Å; L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 2.74Å
52T50.2Low53Low106 Ų106130.5 Ų130.565%0.6570%0.697SS**THydrogen-bonded Turntrans-92.530.3179.964.60000113.8V48V48-T52 HydrophobicContact CG1-CG2 3.97Å; V48-T52 PolarHBondContact O-N 2.78Å; V48-T52 PolarHBondContact O-OG1 3.4Å
53K46.8Very low50.7Low186 Ų186131.4 Ų131.481%0.80971%0.713SS**THydrogen-bonded Turntrans-116.66.5177-143.7176.6-176.7179.90114.4L51L51-K53 VanDerWaalsContact C-N 3.31Å; L51-K53 PolarHBondContact O-N 2.74Å
54E38.9Very low48.6Very low169 Ų169129.2 Ų129.279%0.7972%0.719SS**SBendtrans-123.1158.9163.7-60.9-172.3150.500108.4
55V42.1Very low46.7Very low151 Ų151132.1 Ų132.192%0.91573%0.731SS**SBendtrans76.547.5179-156.70000117
56S35.9Very low44.9Very low113 Ų113133.9 Ų133.979%0.7974%0.744SS**  trans-163143.2140.854.70000107.6
57E38.3Very low43.4Very low183 Ų183142.2 Ų142.286%0.85576%0.764SS**  cis-135.8158.219.8-58.8170.2143.900111.5
58T34.6Very low41.9Very low140 Ų140147 Ų14786%0.85978%0.782SS**  trans-147.4172.4170.766.30000110.3
59P36.9Very low41Very low115 Ų115148 Ų14875%0.74779%0.793SS**  -126.9171.4-80.936.9-20.8000112.9
60K35.1Very low40.4Very low215 Ų215152 Ų15294%0.93581%0.807SS**  trans-133.3136.7162.5-74.8-169.6175.9178.10112.3
61Q34.5Very low39.5Very low190 Ų190150 Ų15089%0.88881%0.811SS**  trans-86.9151.1-176.2-61.8174.8-14.400111.9
62I40.1Very low38.8Very low172 Ų172148.1 Ų148.188%0.88282%0.815SS**  trans-131.3143152.3-62.8-176.2000107.7
63S35.5Very low38.5Very low106 Ų106150.8 Ų150.874%0.74182%0.823SS**  trans-89.9-178.9-177.6790000111.2
64S38.3Very low38.1Very low93 Ų93149.7 Ų149.765%0.6583%0.826SS**  cis-164155.45.543.40000109.6
65K38.2Very low38.4Very low208 Ų208146.8 Ų146.890%0.90483%0.825SS**  trans162.3159.3130-89.8168.5-178.2175.80111.4
66S35Very low38.3Very low111 Ų111144.5 Ų144.578%0.77682%0.815SS**  trans-138.9155.2-16967.30000114.1
67R38.4Very low38.6Very low248 Ų248144.3 Ų144.394%0.93681%0.814SS**  trans179.7121.4159.4-98.3160-175.9-1720.1105.8
68K38.4Very low38.7Very low195 Ų195141.4 Ų141.485%0.84881%0.814SS**  cis11981.53.7-166.1-174.8177.6-178.20113.5
69S41.2Very low38.8Very low108 Ų108138 Ų13876%0.75581%0.807SS**  trans-160.9150.714949.40000107.9
70T41.3Very low39.2Very low130 Ų130143 Ų14380%0.79882%0.817SS**  cis112.4115.3-3.366.60000115.9
71G37.2Very low39.2Very low78 Ų78142.5 Ų142.580%0.80482%0.818SS**  trans111.2100.8179.800000111.7
72A38.6Very low39.6Very low94 Ų94137.2 Ų137.278%0.77782%0.815SS**  cis91.6114.919.900000116
73I43.7Very low39.4Very low161 Ų161134.5 Ų134.583%0.82681%0.811SS**  trans176.5144.5144.3-93153.2000109
74N38.1Very low39.8Very low164 Ų164134.9 Ų134.988%0.87781%0.813SS**  trans-127.7133.5179.8-72.8-21.7000111.1
75S45.1Very low39.9Very low108 Ų108136.2 Ų136.276%0.75582%0.818SS**  trans-174.8162.1166.554.10000112.8
76S39.2Very low40.1Very low102 Ų102134.3 Ų134.371%0.71382%0.816SS**  -174.5136.3-74.747.30000112.7
77S43.1Very low40.3Very low110 Ų110134.5 Ų134.577%0.76982%0.817SS**  trans69.9146.415875.80000121.3
78S41.4Very low40.1Very low121 Ų121133.8 Ų133.885%0.84681%0.814SS**  trans63.5144.6168.372.60000118.3
79G36.3Very low40.4Very low70 Ų70134.7 Ų134.772%0.72282%0.818SS**  cis127.3108.8-7.200000113.3
80K44.6Very low40.2Very low218 Ų218137.5 Ų137.595%0.94882%0.819SS**  trans-164.6143168-112.2162.1-173.7174.30111.4
81E36.1Very low40.2Very low205 Ų205138.1 Ų138.196%0.95882%0.822SS**  trans-94.9163.9175.7-61.4173.211600111.4
82G41.2Very low40.1Very low80 Ų80140 Ų14083%0.82582%0.818SS**  trans-169.6137.417200000110.2
83S37.4Very low40.3Very low115 Ų115141.7 Ų141.780%0.80482%0.819SS**  trans-134134.7-163.6-175.10000114.2
84S42.4Very low40.1Very low113 Ų113141.8 Ų141.879%0.7982%0.816SS**  trans-154.8121.7160.947.10000107.2
85V40.7Very low40Very low122 Ų122138.7 Ų138.774%0.73981%0.807SS**  cis82.3142.744.4-177.30000112.3
86I42.8Very low39.8Very low168 Ų168141.4 Ų141.486%0.86281%0.813SS**  trans86.5131-171.4-53.1166000113.6
87S39.1Very low39.6Very low114 Ų114147.4 Ų147.480%0.79782%0.82SS**  cis-159.6164-32.4-165.80000109.4
88R35.1Very low39.4Very low234 Ų234149.2 Ų149.288%0.88382%0.821SS**  trans-91.4154.7-179.9-56.1177.2-170137.92.1112.3
89K43.1Very low39.2Very low214 Ų214151.3 Ų151.393%0.9382%0.822SS**  trans-145.4144.2134.4-111.9177.2-175.6-178.70110.5
90H38.9Very low39.2Very low166 Ų166151 Ų15177%0.76982%0.819SS**  trans-153.1132.9-173.8-154.4-85000106.4
91T40.8Very low38.8Very low143 Ų143146.2 Ų146.288%0.87781%0.808SS**  trans-143.2118.7176.438.60000109.7
92T33.8Very low38.7Very low117 Ų117144.2 Ų144.272%0.71880%0.799SS**  trans-108.7151.9173.541.50000109.3
93V43.8Very low38.5Very low131 Ų131147.2 Ų147.279%0.79480%0.796SS**  trans-134.9147.7165.9178.80000107.9
94E39.2Very low38.3Very low163 Ų163149.1 Ų149.176%0.76279%0.792SS**  trans-58.5154.5-179.2-63.1102.6137.700113.2
95S36.4Very low38Very low99 Ų99152 Ų15269%0.69279%0.793SS**  cis72.497.136.2-176.50000115.4
96N41.7Very low37.6Very low165 Ų165155.4 Ų155.488%0.88280%0.798SS**  trans-163.9171.3130.5-97.3-20.9000111.6
97R33.6Very low37.4Very low228 Ų228152.1 Ų152.186%0.8679%0.787SS**  trans-108.6159.1-179.7-65.3176.7172.1127.9-5110.8
98D39.5Very low37.2Very low147 Ų147152 Ų15279%0.78679%0.787SS**  trans150.9136.5132.9-70.9-16000108.4
99L37.3Very low37.1Very low166 Ų166150.3 Ų150.387%0.86979%0.786SS**  cis105.9102.527-153.6174.1000110.6
100G35.3Very low36.8Very low63 Ų63149.6 Ų149.665%0.64979%0.786SS**  trans99.2158.5-179.100000115
101T36.2Very low36.5Very low117 Ų117152.7 Ų152.772%0.71879%0.792SS**  cis-160.6130.5-11-61.40000110.3
102E35.3Very low36.3Very low164 Ų164151.8 Ų151.877%0.76679%0.792SS**  trans50.5169.9155.5-64.8177.6111.800123.5
103N36.2Very low36.4Very low143 Ų143155.6 Ų155.677%0.76580%0.798SS**  trans73.4138.4164.6-57.9-44.6000117.8
104E34.4Very low36Very low155 Ų155156.3 Ų156.372%0.72480%0.803SS**  cis164103.7-17.2-113-83.996.400103.5
105H35.3Very low35.8Very low174 Ų174157.7 Ų157.781%0.80681%0.807SS**  trans176.9122142.3-102.566.5000114.1
106F32.8Very low36Very low193 Ų193158.4 Ų158.485%0.84681%0.809SS**  trans-106.9-167.7155.3-100.6-67.7000107.1
107P38.2Very low35.7Very low98 Ų98156.3 Ų156.364%0.63680%0.804SS**  cis-127.6171.4-4636.6-23.3000112.5
108S35.2Very low35.6Very low113 Ų113153.3 Ų153.379%0.7980%0.804SS**  trans179.5116.3134.5-83.50000110.1
109K32.5Very low35.5Very low197 Ų197153.4 Ų153.486%0.85781%0.81SS**  53.899.875.8-77-172.8176.51750114.8
110Q36.8Very low35.2Very low200 Ų200148.7 Ų148.794%0.93580%0.802SS**  -152.8137.1119-110.5-179.326.400111.6
111Y33.4Very low35.3Very low231 Ų231155.1 Ų155.191%0.90682%0.815SS**  trans-101.4140168.8-106.4-101.8000108.1
112S36.3Very low35.1Very low123 Ų123156.7 Ų156.786%0.8682%0.819SS**  trans-162.6144.4143.7-90.10000112.5
113K34.6Very low35.3Very low198 Ų198155.9 Ų155.986%0.86183%0.825SS**  trans-86.7154.3168.3-63.2167.2177.4169.50108.9
114T35.8Very low35Very low145 Ų145158.9 Ų158.989%0.8983%0.827SS**  -165.6158.7129-79.40000109
115K36.3Very low35.2Very low193 Ų193159.3 Ų159.384%0.83983%0.833SS**PPolyproline II helixtrans-91.6159.8-178.2-86.4-174.9174-176.10112.3
116P38.9Very low35.2Very low113 Ų113155.6 Ų155.673%0.73483%0.827SS**PPolyproline II helixtrans-89.6163.2-174.736.9-37.5000114
117P37Very low35.3Very low121 Ų121155.2 Ų155.279%0.78683%0.828SS**PPolyproline II helixtrans-96.6161.4159.137.1-30.7000112.5
118L30.8Very low35.5Very low166 Ų166155.7 Ų155.787%0.86983%0.831SS**PPolyproline II helixtrans-97.5138.9166.6-8372.6000110.3
119T37.1Very low35.7Very low148 Ų148160.1 Ų160.191%0.90883%0.832SS**  trans-151.8138.6147.28.10000108.4
120G30.2Very low36Very low68 Ų68155.5 Ų155.570%0.70182%0.82SS**  trans-118.8174.4-175.900000113.2
121H37.6Very low35.9Very low198 Ų198153 Ų15392%0.91781%0.813SS**  trans-144.1146.9165.5-110.148.6000110.5
122N32.5Very low36.2Very low149 Ų149149.3 Ų149.380%0.79781%0.808SS**  trans-91.8149.6-177.1-64-37.3000111.5
123V39.4Very low36.3Very low148 Ų148151.1 Ų151.190%0.89781%0.807SS**  trans-136137.5148-175.50000108.2
124Y30.6Very low36.5Very low206 Ų206146.6 Ų146.681%0.80880%0.797SS**  trans-89.9158.5-177.7-112.9-114.2000112.1
125L38.2Very low36.5Very low163 Ų163144.3 Ų144.385%0.85379%0.788SS**  trans-166.994146.3-106.7158.4000113.5
126S35.8Very low36.6Very low97 Ų97142.2 Ų142.268%0.67879%0.785SS**  trans32.8124.4147.459.10000124.3
127E34.4Very low36.7Very low185 Ų185143.7 Ų143.786%0.86479%0.785SS**  trans-64.3-172.4148.1-112.5173.2176.100112.8
128P43Very low37Very low108 Ų108142.9 Ų142.970%0.70178%0.78SS**  cis-154.3-156.538.338.2-10.6000118.5
129Y39.3Very low37.4Very low206 Ų206142.5 Ų142.581%0.80878%0.775SS**  trans87.5107.6175.7-88.6-113000116.8
130T37.8Very low37.2Very low99 Ų99143.2 Ų143.261%0.60777%0.768SS**  cis78.8145.247.676.40000114.2
131D34.5Very low37.5Very low148 Ų148145.6 Ų145.679%0.79177%0.77SS**  cis-161.1-169.25.1-131.9-34.1000113.6
132I40Very low37.6Very low154 Ų154141 Ų14179%0.7976%0.76SS**  trans97.1119.3155.7-47.7-169.1000119.6
133L37.7Very low37.7Very low161 Ų161142.7 Ų142.784%0.84376%0.763SS**  trans-120.2-131169.4-143.275.6000109.2
134P39.7Very low37.4Very low102 Ų102140 Ų14066%0.66276%0.757SS**  cis-132.8-167.3-12.842.2-22.3000114.9
135S35.8Very low37.6Very low98 Ų98139.3 Ų139.369%0.68576%0.76SS**  trans72.4152.8143.890.20000120.1
136L38.3Very low37.5Very low149 Ų149136.8 Ų136.878%0.7875%0.754SS**  cis-146.7174.2-0.2-70.9175.6000107.7
137I41.4Very low37.3Very low143 Ų143138.3 Ų138.373%0.73376%0.759SS**  cis-156.2163.2-16.3-117.2172.1000108.9
138P42.6Very low37.1Very low105 Ų105136 Ų13668%0.68275%0.753SS**  trans-125.5-177.2-175.944.1-31.6000116.5
139M39.4Very low36.4Very low158 Ų158139.6 Ų139.678%0.77875%0.752SS**  trans-150.7125.2146.2-70.5-149.879.300107.6
140E33.8Very low36Very low162 Ų162137.6 Ų137.676%0.75775%0.748SS**  67.4130.574.4-65.8-159.3131.600113.9
141T36.4Very low35.5Very low119 Ų119142.7 Ų142.773%0.7376%0.756SS**  cis-151.8159.749.140.90000116.1
142S38.8Very low35.3Very low101 Ų101141.6 Ų141.671%0.70675%0.75SS**  trans39.1145.3148.459.10000122.8
143Q35.4Very low35Very low184 Ų184142 Ų14286%0.8675%0.754SS**  cis-161.1131.9-7.8-102.1166.4-12.400104.6
144A31.5Very low34.7Very low93 Ų93143 Ų14377%0.76975%0.752SS**  82.4103.159.300000114.7
145E36.3Very low34.5Very low190 Ų190145 Ų14589%0.88876%0.757SS**  trans-154.2150.8155.8-99.3-93.410300108
146P34.5Very low34.5Very low111 Ų111145.8 Ų145.872%0.72176%0.757SS**  trans-124.5171.5-148.339.9-25.9000117.6
147V31.5Very low34.4Very low128 Ų128146.2 Ų146.278%0.77676%0.758SS**  trans-84.1133.4171.5173.70000111.1
148N32.1Very low34Very low138 Ų138145 Ų14574%0.73876%0.758SS**  trans168.1167.3143.6-88.3-36.9000110.7
149R27.6Very low33.6Very low183 Ų183144.8 Ų144.869%0.69176%0.759SS**  cis179.1160.5-32.2-166.6173.9-168.5175.95.1107.1
150F30.5Very low33.5Very low163 Ų163141.9 Ų141.972%0.71575%0.754SS**  trans68.4162.9173.2-55.3-68.6000115.5
151R27.6Very low33.4Very low207 Ų207141 Ų14178%0.78176%0.76SS**  cis-164.8164.3-33.2176.9166.8179.6162.9-1.6107.3
152N29.9Very low33.2Very low124 Ų124140.8 Ų140.866%0.66376%0.763SS**  trans-43.3154.2171.4-36.6-5.4000113.2
153D35Very low32.8Very low162 Ų162140.7 Ų140.787%0.86676%0.762SS**  -152.4162.9110.3-101.8-29.6000113.3
154F30.7Very low32.6Very low183 Ų183140.9 Ų140.980%0.80376%0.763SS**  trans-99.9175.7177.6-103.9-104.7000110.9
155N36.1Very low32.4Very low145 Ų145145.6 Ų145.678%0.77577%0.766SS**  trans98.4152164.3-53.7-34.4000116.1
156V34Very low32.1Very low114 Ų114145.4 Ų145.469%0.69177%0.765SS**  cis-162.4151.9-22132.60000105.3
157I36.8Very low31.7Very low157 Ų157151 Ų15181%0.80577%0.773SS**  trans-178.4120.2137.7-93.6152.9000110.5
158T32.6Very low31.6Very low119 Ų119150.2 Ų150.273%0.7377%0.771SS**  trans-19.4163.1153.137.30000119.6
159S35.4Very low31.4Very low99 Ų99148.5 Ų148.569%0.69278%0.776SS**  cis-159.7165.323.428.80000115.1
160S36.5Very low31.6Very low98 Ų98147.7 Ų147.769%0.68578%0.78SS**  trans58.7115.2155.447.90000118.9
161V32Very low31.5Very low143 Ų143151 Ų15187%0.86779%0.788SS**  62.5117.469.4-179.90000110.7
162S32.7Very low31.6Very low114 Ų114150 Ų15080%0.79779%0.789SS**  -148.5176.754.1-164.30000115.1
163S29.8Very low31.6Very low100 Ų100148.6 Ų148.670%0.69979%0.79SS**  trans-95.3143.8-172.959.20000115.1
164H31Very low31.3Very low188 Ų188151.7 Ų151.787%0.8779%0.789SS**  trans-152.1151.7138.7-130.8-96.4000112.4
165K27.1Very low31.3Very low191 Ų191149.9 Ų149.983%0.8379%0.788SS**  trans-89.4131.8178-67.1175.9-180172.90110.8
166Q30.4Very low31Very low187 Ų187151 Ų15187%0.87479%0.793SS**  trans-155.2134.7155-137.9154.1-11.500111.4
167Y25.5Very low30.9Very low228 Ų228152.1 Ų152.189%0.89480%0.8SS**PPolyproline II helixtrans-85.9128.8176.7-71.9-93.7000110.1
168P31.2Very low30.5Very low112 Ų112154.2 Ų154.273%0.72781%0.807SS**PPolyproline II helixtrans-88.1118.4166.632.5-29.3000110.4Q170P168-Q170 PolarHBondContact O-N 2.86Å
169A28Very low30.3Very low102 Ų102154 Ų15484%0.84381%0.81SS**PPolyproline II helixtrans-72.8116.2168.100000109.5R171A169-R171 PolarHBondContact O-N 2.83Å
170Q32Very low29.8Very low165 Ų165154.7 Ų154.777%0.77182%0.815SS**  trans-82.8108.8179.3-75-172.5-48.600111.2P168 F172P168-Q170 PolarHBondContact O-N 2.86Å; Q170-F172 HydrophobicContact CB-CE2 4.33Å; Q170-F172 PolarHBondContact O-N 3.44Å
171R27.5Very low29.5Very low233 Ų233156.1 Ų156.188%0.87982%0.819SS**  trans-62.9125164.7-68.5176175.1163.1-2.5109.6A169A169-R171 PolarHBondContact O-N 2.83Å
172F29.1Very low29.2Very low185 Ų185156.9 Ų156.981%0.81182%0.818SS**  trans-105.387.4162.7-87.4-85.1000110Q170Q170-F172 HydrophobicContact CB-CE2 4.33Å; Q170-F172 PolarHBondContact O-N 3.44Å
173S29.9Very low28.9Very low96 Ų96161 Ų16167%0.67182%0.818SS**  trans-65146.6162.9-67.30000110D175S173-D175 PolarHBondContact O-N 3.15Å
174R29.7Very low28.8Very low227 Ų227162.4 Ų162.486%0.85782%0.822SS**  trans-77.886.2175.8-81.8-177.4159.4124.9-5.1111.5
175D29.4Very low28.7Very low145 Ų145157.1 Ų157.178%0.77581%0.805SS**  trans-99.1121.8156.7-78.6-55.7000109.4S173S173-D175 PolarHBondContact O-N 3.15Å
176L30.9Very low28.9Very low167 Ų167153.2 Ų153.287%0.87480%0.797SS**  trans-111.676.2-166.2-158.286.7000111.7
177T31.9Very low29.2Very low138 Ų138150.2 Ų150.285%0.84778%0.778SS**  trans-90.4129173.444.10000111.6
178Q28Very low29.8Very low202 Ų202146.7 Ų146.794%0.94477%0.767SS**  trans-68.9134.7-171.2-74.3169.2-63.500113.1
179S27.7Very low29.9Very low115 Ų115144.8 Ų144.880%0.80475%0.754SS**  trans-132.6123.3154.8-175.50000107.9V181S179-V181 PolarHBondContact O-N 2.84Å
180S26Very low30.2Very low113 Ų113147 Ų14779%0.7974%0.741SS**  trans-87.2110.3-169.353.60000112
181V30.2Very low30.2Very low128 Ų128142.6 Ų142.678%0.77672%0.722SS**  trans-131.9114.8160.5-178.50000107.4S179 Y183S179-V181 PolarHBondContact O-N 2.84Å; V181-Y183 PolarHBondContact O-N 3.08Å
182D25.4Very low30.3Very low158 Ų158139.6 Ų139.685%0.84571%0.712SS**  trans-69.1105.4-176.4-68.9-64.2000111.6
183Y26.6Very low30.4Very low200 Ų200136.3 Ų136.378%0.78470%0.702SS**  trans-136.1109.9166.1-146.5-98.1000108.7V181 P185V181-Y183 PolarHBondContact O-N 3.08Å; Y183-P185 WeakPolarHBondContact O-CD 3.11Å
184T27.1Very low30.6Very low130 Ų130138.8 Ų138.880%0.79870%0.7SS**  trans-103.886.6-176.339.60000110.5T186T184-T186 PolarHBondContact O-N 3.46Å
185P30.1Very low30.7Very low78 Ų78134.3 Ų134.351%0.50669%0.694SS.*  trans-63.6124.6178.626.4-34.6000110.6Y183 R187Y183-P185 WeakPolarHBondContact O-CD 3.11Å; P185-R187 PolarHBondContact O-N 3.04Å
186T30.8Very low31Very low109 Ų109133.2 Ų133.267%0.66969%0.687SS**  trans-68.499.6179.247.70000110.6T184 K188T184-T186 PolarHBondContact O-N 3.46Å; T186-K188 PolarHBondContact O-N 3.31Å; T186-K188 VanDerWaalsContact O-N 3.12Å
187R36.7Very low31.2Very low123 Ų123130 Ų13046%0.46468%0.679SS.*  trans-66107.8-175.2-163.3173.4-171.8-170.9-8.1110.9P185 T646 W668 Q669 G670P185-R187 PolarHBondContact O-N 3.04Å; R187-T646 PolarHBondContact NH2-OG1 2.82Å; R187-W668 PolarHBondContact NH1-O 3.47Å; R187-W668 PolarHBondContact NH2-O 3.44Å; R187-Q669 PolarHBondContact NE-O 2.98Å; R187-Q669 PolarHBondContact NH1-O 3.23Å; R187-Q669 PolarHBondContact NH2-O 2.04Å; R187-G670 VanDerWaalsContact NH1-CA 3.31Å
188K37.7Very low31.3Very low155 Ų155129.7 Ų129.767%0.67468%0.677SS**PPolyproline II helixtrans-102.8121.6177.6-68.7-170.6178.2-170.80110.8T186T186-K188 PolarHBondContact O-N 3.31Å; T186-K188 VanDerWaalsContact O-N 3.12Å
189T33.9Very low31.8Very low72 Ų72127 Ų12744%0.44267%0.669SS.*PPolyproline II helixtrans-86.9118.4172.216.40000110.8
190Y33.6Very low32.2Very low148 Ų148128.3 Ų128.358%0.5867%0.667SS**PPolyproline II helixtrans-82.1127.1163.9-57.9-81000109
191I32.8Very low32.7Very low72 Ų72129.2 Ų129.237%0.36966%0.663SS.*  trans-138.8104.4174-57.9177.5000106.7P23P23-I191 HydrophobicContact CB-CD1 3.7Å; P23-I191 HydrophobicContact CG-CD1 3.96Å
192Y28.1Very low33.1Very low170 Ų170128.5 Ų128.567%0.66766%0.659SS**  trans-84.3137168.4-66.6-78000109H595Y192-H595 AromaticContact CE2-CE1 3.88Å
193I33Very low33.5Very low117 Ų117128.3 Ų128.360%0.666%0.658SS**  trans-110.3138.6167.6-63.4174.2000105.7
194K32.5Very low34.1Very low147 Ų147127.8 Ų127.864%0.63966%0.662SS**  trans-86.9108.9175.4-176.1175.4178.6-111.20107.5D196K194-D196 VanDerWaalsContact C-N 3.34Å; K194-D196 WeakPolarHBondContact CE-OD1 3.42Å; K194-D196 IonicContact NZ-OD1 2.77Å; K194-D196 PolarHBondContact NZ-OD1 3.24Å; K194-D196 IonicContact NZ-OD2 3.97Å; K194-D196 PolarHBondContact NZ-OD2 3.16Å; K194-D196 PolarHBondContact O-N 3.04Å; K194-D196 VanDerWaalsContact O-N 3.08Å
195D32.3Very low34.4Very low134 Ų134129.8 Ų129.872%0.71766%0.663SS**  trans-7491168.5-72.5-39.1000108.1
196D35.6Very low34.5Very low121 Ų121133 Ų13365%0.64768%0.675SS**  trans-80.5120.8169.2-80-41.5000109.7K194K194-D196 VanDerWaalsContact C-N 3.34Å; K194-D196 WeakPolarHBondContact CE-OD1 3.42Å; K194-D196 IonicContact NZ-OD1 2.77Å; K194-D196 PolarHBondContact NZ-OD1 3.24Å; K194-D196 IonicContact NZ-OD2 3.97Å; K194-D196 PolarHBondContact NZ-OD2 3.16Å; K194-D196 PolarHBondContact O-N 3.04Å; K194-D196 VanDerWaalsContact O-N 3.08Å
197S35.6Very low34.6Very low99 Ų99132.5 Ų132.569%0.69268%0.676SS**  trans-127.7114.2-162.564.50000113.8
198V33Very low34.4Very low133 Ų133136.4 Ų136.481%0.80670%0.696SS**  trans74.1165.3156.8-164.30000115.1
199D38.3Very low34Very low145 Ų145137.6 Ų137.678%0.77570%0.704SS**  trans73.2131.8-175.7-46.4-19.2000115.5
200D36.3Very low33.9Very low142 Ų142142.3 Ų142.376%0.75973%0.727SS**  cis-156.9168.3-32.7-146.1-11.3000110.9
201D37.6Very low33.7Very low132 Ų132139.5 Ų139.571%0.70673%0.729SS**  trans59139.9156.2-89.1-31.3000125.4
202T38.9Very low33.5Very low114 Ų114144.8 Ų144.870%0.69975%0.754SS**  trans67.693150.5530000123.1
203D34.2Very low33.5Very low153 Ų153141.3 Ų141.382%0.81876%0.755SS**  56.4153112.3-61.3-35.9000125.4
204E37.8Very low33.5Very low189 Ų189141 Ų14188%0.88376%0.763SS**  trans66.8144.2174.5-58.9-163.3152.200117.6
205E34.5Very low33.5Very low172 Ų172140.4 Ų140.480%0.80477%0.772SS**  cis-143.8-175.30.1-141.3-139.7129.200113.4
206L30.9Very low33.3Very low146 Ų146141.8 Ų141.876%0.76478%0.779SS**  trans-75.8146.3-168.8-132.670000114.9
207S33.2Very low33Very low98 Ų98140.9 Ų140.969%0.68578%0.782SS**  138.1109.512070.50000117.5
208K32.7Very low32.8Very low205 Ų205148 Ų14889%0.89179%0.793SS**  -179.3116107-99.2165.2-175.9163.50112.5
209Q29.7Very low32.7Very low180 Ų180147.7 Ų147.784%0.84179%0.792SS**  trans-88.2134.6174.8-177.1178.24.500109.5
210N30.8Very low32.3Very low171 Ų171145.9 Ų145.991%0.91480%0.796SS**  trans-135.6102.3169.1-120.8-15.4000109.3
211S29.1Very low32.1Very low90 Ų90142 Ų14263%0.62979%0.79SS**  trans-93135.8-177.753.70000111.9
212M30.4Very low31.9Very low182 Ų182148.2 Ų148.290%0.89780%0.804SS**  trans-130.4105.6150.5-83.9-11167.900108.7
213S28.3Very low31.4Very low97 Ų97150.9 Ų150.968%0.67881%0.813SS**  trans-86.1169.4173.150.80000111.7
214S32.7Very low31.3Very low112 Ų112150.7 Ų150.778%0.78381%0.812SS**  trans70.8140.6-171.283.10000113.5
215T32.1Very low30.9Very low133 Ų133152.2 Ų152.282%0.81681%0.81SS**  cis-124.8133.815.944.50000114.2
216L27.5Very low30.8Very low164 Ų164149.8 Ų149.886%0.85981%0.811SS**  trans-88.5164.4157.8-109.8163.9000110.1
217S29.2Very low31Very low102 Ų102147.1 Ų147.171%0.71381%0.811SS**  trans65.676.5161.1-54.60000118.8
218R32Very low30.9Very low248 Ų248150.9 Ų150.994%0.93682%0.817SS**  trans176.7134.2153.8-96.9156.9-157.4-167.67.5107.2
219V31.5Very low31Very low127 Ų127148.5 Ų148.577%0.7781%0.809SS**  cis-136.51351176.20000108.8
220A29.5Very low31.2Very low106 Ų106148.4 Ų148.488%0.87681%0.806SS**  trans-101.1125.9156.900000107.8
221G30.7Very low31.4Very low61 Ų61146.1 Ų146.163%0.62980%0.799SS**  trans155.945.6-175.800000116.7
222W33.7Very low31.7Very low262 Ų262151.3 Ų151.399%0.99281%0.81SS**  trans-129.738.7168.6-98.375.9000111.7
223L29.7Very low31.9Very low170 Ų170147.8 Ų147.889%0.8980%0.801SS**SBendtrans-123.4137.5167.5-96.9171.3000109.4
224N30.3Very low32.2Very low150 Ų150154 Ų15480%0.80281%0.809SS**SBendtrans80.5144.3167.1-150.7-2000118.1
225R30Very low32.2Very low221 Ų221153.4 Ų153.483%0.83481%0.805SS**  trans65.285.9157.8-163.5179.2-70.5-138.5-2.2119.6
226S33.5Very low32.5Very low120 Ų120152.6 Ų152.684%0.83980%0.802SS**  -163.5147.2119.5610000111.4
227A34.1Very low32.9Very low91 Ų91149.5 Ų149.575%0.75279%0.794SS**  cis-157.7148.9-34.100000107.3
228H32.3Very low33.2Very low177 Ų177151 Ų15182%0.81979%0.794SS**  trans-98.9170.5159.2-124.7-108.1000108.9
229E33.7Very low33.2Very low155 Ų155147 Ų14772%0.72479%0.786SS**  trans81.399.5162.9-72.1-174.313500121
230F33Very low33.4Very low177 Ų177146.9 Ų146.978%0.77679%0.791SS**  117.6143.9116.2-91.9-58.7000121.6
231T36.7Very low33.6Very low123 Ų123148.3 Ų148.376%0.75579%0.788SS**  trans63.287.4161.746.10000121.3
232K34.1Very low33.8Very low200 Ų200155.4 Ų155.487%0.8780%0.797SS**  12.2160.9115.3-80.8-167.1-179.6-177.40119.7
233P36.2Very low33.8Very low108 Ų108148.5 Ų148.570%0.70178%0.776SS**  cis-145.3-166.6-27.340-19.6000115.2
234R33.4Very low34.1Very low227 Ų227148.1 Ų148.186%0.85777%0.767SS**  trans94.791.6160.7-74.1179.3168.2169.5-4.2120.7
235S34Very low34.5Very low99 Ų99146.3 Ų146.369%0.69277%0.766SS**  18.7160.8105.365.60000121.4
236P37.9Very low34.6Very low116 Ų116145.1 Ų145.175%0.75377%0.768SS**  cis-139.3-178.4-25.937.9-20000114.4
237S35.8Very low34.9Very low99 Ų99144.5 Ų144.569%0.69276%0.76SS**  149.5137.312460.10000113.3
238N34.7Very low34.9Very low135 Ų135151.4 Ų151.472%0.72277%0.767SS**  trans47.7158.6136.5-57.638.4000120.6
239E33Very low35.1Very low164 Ų164149.1 Ų149.177%0.76677%0.765SS**  cis-166.6148.3-21.9-108.2175.612100107.2
240S36.2Very low35Very low123 Ų123151.7 Ų151.786%0.8677%0.768SS**  trans174130.5139.1550000111.6
241V32.1Very low35.2Very low136 Ų136150.7 Ų150.782%0.82477%0.766SS**  trans-129.9131.3172.2171.50000108.1
242Y36Very low34.9Very low210 Ų210150.1 Ų150.182%0.82477%0.767SS**  trans-163.6160.8164.2-105.1-78.7000110
243E33.4Very low35.2Very low117 Ų117145.5 Ų145.555%0.54776%0.757SS.*  -162.2175.4-63.7-157.1-152.6137.300108
244K36.3Very low35.1Very low162 Ų162149.1 Ų149.170%0.70476%0.764SS**  trans68.8152.5161.5-76.7148.9177.6139.10118.1
245S37.5Very low35.3Very low112 Ų112143.6 Ų143.678%0.78376%0.761SS**  cis-158.8167.7-8.939.80000113.3
246K32.5Very low35.2Very low197 Ų197145.8 Ų145.886%0.85777%0.765SS**  trans-89.8-150.7176.3-51.1177.7-178.1175.50110.5
247P40.1Very low35.1Very low106 Ų106148.2 Ų148.269%0.68877%0.771SS**  cis-143.9171.9-14.940.5-21.5000118.3
248R34.2Very low34.8Very low237 Ų237152.5 Ų152.589%0.89477%0.772SS**  trans154.2132.3138.4-87.4171.5177.6-171.2-0.1109.9
249V36Very low34.7Very low129 Ų129154.3 Ų154.378%0.78278%0.781SS**  cis100.8131.711.6-176.20000115.5
250R32.9Very low34.6Very low208 Ų208152.8 Ų152.879%0.78577%0.774SS**  trans109.4142176.1-67.9175.7-176.3-131.66.3114
251H36.5Very low34.6Very low156 Ų156154.7 Ų154.772%0.72277%0.773SS**  cis-145.2-173.9-4.2-103.8-53.1000111.2
252S29.5Very low34.8Very low112 Ų112152.5 Ų152.578%0.78376%0.763SS**  trans-133.4-151.4-168.554.10000114.2
253P40.8Very low34.7Very low103 Ų103149 Ų14967%0.66976%0.759SS**  -126-160.2-116.441.2-20.4000116.5
254H34.1Very low34.9Very low183 Ų183149.1 Ų149.185%0.84777%0.772SS**  trans76.4152-174.3-64.6-78.7000114.5
255S37.3Very low35Very low111 Ų111146.3 Ų146.378%0.77677%0.774SS**  cis-139.5-176.426.5600000115.2
256N31.9Very low35Very low145 Ų145147.5 Ų147.578%0.77577%0.771SS**  trans-80.5160.8174.3-37.8-58.6000111.7
257D36.8Very low35.3Very low167 Ų167144.3 Ų144.389%0.89376%0.762SS**  -157.6174.7120.5-129-36.1000113.8
258R28.7Very low34.9Very low190 Ų190147 Ų14772%0.71777%0.765SS**  trans-133.7138.3-158.5167.8-169.7175.8-168.8-0.1113.6
259L33.4Very low34.8Very low172 Ų172142.3 Ų142.390%0.90176%0.758SS**  trans-156.9154149.4-111.1157.8000111.5
260Q31.5Very low34.5Very low133 Ų133140.4 Ų140.462%0.62175%0.751SS**  trans-124.2160.7-174-63165.6-112.200109.5
261I35.8Very low34.4Very low162 Ų162136.7 Ų136.783%0.83175%0.751SS**  trans-167.5130.6140.4-99.2148000110.1
262S35Very low34.2Very low90 Ų90140.9 Ų140.963%0.62976%0.76SS**  trans5.9158.1150.6-61.60000123.4
263D35.5Very low34.3Very low138 Ų138140.4 Ų140.474%0.73876%0.757SS**  cis-169.9162.8-15.8-98.3-37.1000109.9
264S36.5Very low34.2Very low118 Ų118140.5 Ų140.583%0.82576%0.758SS**  trans64.2156.7165.9-63.90000117.9
265S38.6Very low34Very low104 Ų104140.3 Ų140.373%0.72776%0.755SS**  cis-170.7164.5-26.562.80000106.9
266D37.2Very low33.7Very low137 Ų137143.3 Ų143.373%0.73375%0.754SS**  cis-156.5-174-4.4-138.1-47.7000110.5
267I38.3Very low33.6Very low130 Ų130146.2 Ų146.267%0.66776%0.76SS**  trans45.398.5153.2-64.6169.3000116.4
268E32.5Very low33.2Very low161 Ų161149.9 Ų149.975%0.75276%0.761SS**  67.8136.989.9-88.6-152.1110.300116.5
269N31.6Very low33.3Very low139 Ų139148 Ų14874%0.74377%0.765SS**  cis-152.5168.8-9.8-153.7-23.1000110.4
270S30.1Very low33.2Very low90 Ų90150.5 Ų150.563%0.62976%0.764SS**  trans-98.4158.6-170.9-169.10000114.4
271T31.4Very low33.5Very low129 Ų129149.3 Ų149.379%0.79177%0.767SS**  trans70.4137.6156.537.80000122.1
272R31.8Very low33.4Very low244 Ų244146.5 Ų146.592%0.92176%0.762SS**  trans101.3117.9138.8-127169.3-173.1150.90.8119
273S32.5Very low33.8Very low103 Ų103147 Ų14772%0.7276%0.764SS**  trans-91.7-177.5169.958.80000111.2
274P38.3Very low33.8Very low104 Ų104150.3 Ų150.368%0.67577%0.772SS**  cis-135.1175.1-21.322.90.6000115.1
275F29.6Very low33.7Very low180 Ų180155.5 Ų155.579%0.78977%0.773SS**  trans68.5123.1140.5-87.7-139.3000123.1
276F30.5Very low33.6Very low174 Ų174158 Ų15876%0.76378%0.779SS**  trans60104.4144.6-77.8-102.5000122
277K29.6Very low33.4Very low205 Ų205158.1 Ų158.189%0.89178%0.776SS**  177.8137.1108.5-99.5171.1179.2175.90112.5
278R28.5Very low33.3Very low245 Ų245160.9 Ų160.993%0.92578%0.784SS**  trans-159.4170.6154-130.1177.6-171.8176.44.7113.7
279L30.9Very low33.5Very low151 Ų151158.1 Ų158.179%0.79178%0.782SS**  trans76.5116.8-160.9-54.7171.3000111.2
280Y31.1Very low33.8Very low224 Ų224162.9 Ų162.988%0.87879%0.789SS**  cis-120.7163.816.1-64.3-100.4000113.6
281P39.1Very low34.1Very low107 Ų107165.8 Ų165.870%0.69580%0.798SS**  trans-106.4141.6174.337.5-30.2000116
282S32.9Very low34.5Very low104 Ų104164.6 Ų164.673%0.72780%0.801SS**  trans-12.1163.2134.860.60000118.8
283P43.2Very low34.5Very low101 Ų101156.8 Ų156.866%0.65680%0.796SS**  cis-153.8171.837.344.7-24.5000119.8
284F35.9Very low34.7Very low206 Ų206159.7 Ų159.790%0.90480%0.802SS**  -166.9158107.7-107.1-75000110.8
285R34.7Very low34.4Very low228 Ų228161 Ų16186%0.8681%0.808SS**  trans-157133.1-167.7-170.9-169.4-159.4-158.78111.5
286N35.1Very low34.8Very low157 Ų157159 Ų15984%0.8481%0.811SS**  trans171150.7157.1-92.6-19.3000109.4
287M34.5Very low35.2Very low139 Ų139155.8 Ų155.869%0.68581%0.81SS**  cis-161.9150.8-7.7167.4168.358.800111.6
288K35.7Very low35.9Very low188 Ų188152.2 Ų152.282%0.81781%0.808SS**  trans73.6168.8162.5-84.1167.4-175.3174.90119.4
289S36.9Very low36.5Very low102 Ų102143.4 Ų143.471%0.71379%0.793SS**  trans-154.2162.5-15154.70000113.1
290R36.4Very low36.9Very low239 Ų239144.1 Ų144.190%0.90280%0.797SS**  -169.8165.6128.6-110.4176.9175117.2-1.3112.7
291D37.2Very low37.1Very low151 Ų151139.4 Ų139.481%0.80779%0.787SS**  trans-105.8151.2-162.6-35.4-100.2000112.9
292A39.3Very low37Very low104 Ų104142.9 Ų142.986%0.8679%0.791SS**  trans-169.7137.7141.800000111.4
293G32.7Very low37.4Very low80 Ų80144.1 Ų144.183%0.82580%0.795SS**  trans-73.3168.6-167.900000118.2
294I35.9Very low37.5Very low165 Ų165144.8 Ų144.885%0.84680%0.799SS**  trans-126.7130.2161.1-64.9178.4000107.7
295T33.2Very low37.7Very low130 Ų130141.2 Ų141.280%0.79880%0.796SS**  trans-109.8145.1163.953.20000108.8
296T37.9Very low37.6Very low140 Ų140135.3 Ų135.386%0.85979%0.79SS**  trans178.7154.2144.319.30000110.5
297S38.1Very low37.6Very low106 Ų106138.6 Ų138.674%0.74179%0.791SS**  trans-108.5165.7175.356.50000111.1
298P44.9Very low37.6Very low129 Ų129138.7 Ų138.784%0.83879%0.794SS**  -137.1172.4102.337.7-26.4000112.3
299G40.8Very low37.5Very low60 Ų60136.5 Ų136.562%0.61979%0.79SS**  cis128.2141.7-1.200000112.6
300L39.2Very low37.5Very low166 Ų166139 Ų13987%0.86980%0.796SS**  trans72.8144.8172.1-45.6-178.7000116.6
301L36.4Very low37.4Very low126 Ų126136.6 Ų136.666%0.6679%0.792SS**  cis-166.6174.9-31.4-125.5-179.2000110.6
302F36.3Very low37.4Very low179 Ų179134.6 Ų134.679%0.78579%0.787SS**  trans78.1155.7166.3-61.9-63.8000119.8
303T40.6Very low37Very low131 Ų131135 Ų13580%0.80478%0.779SS**  trans-147.1160.9-146.632.20000113.4
304P45.9Very low37Very low114 Ų114142.3 Ų142.374%0.7478%0.783SS**  trans-94.1-177.7-173.439.6-38.4000113.7
305P39.6Very low36.8Very low131 Ų131142.7 Ų142.785%0.85178%0.781SS**  -134.2174.3129.235.8-23.4000114.5
306S33.4Very low36.8Very low105 Ų105140.1 Ų140.173%0.73478%0.78SS**  trans-101164.8-163.860.50000115.9
307R35.6Very low36.6Very low226 Ų226140 Ų14085%0.85378%0.779SS**  -173.2132.9121-100.9160.5-171.6173.95.8116
308N33.7Very low36.3Very low140 Ų140140.5 Ų140.575%0.74978%0.783SS**  trans64.9128.1144.3-60-0.9000123.2
309L33.4Very low35.8Very low143 Ų143141.7 Ų141.775%0.74978%0.781SS**  trans43.6126.7146.8-90.457.6000119
310D36.4Very low35.5Very low154 Ų154146.9 Ų146.982%0.82479%0.793SS**  -154.9-173.558.4-125.1-32.9000116.1
311K35.1Very low35.2Very low189 Ų189143.7 Ų143.782%0.82279%0.785SS**  trans-101.2176.4-176-107.1176.3-177.9173.90112.9
312P36.2Very low35.2Very low109 Ų109146.1 Ų146.171%0.70879%0.793SS**  cis-137-163.1-12.532.9-9.7000114.3
313T32.1Very low35.4Very low111 Ų111144.4 Ų144.468%0.68179%0.792SS**  trans105.197.2150.1-44.70000117.2
314Y32Very low35.5Very low235 Ų235144 Ų14492%0.92279%0.789SS**  trans-85.1134.9157.5-85.9-105.4000110.1
315H31.8Very low35.1Very low173 Ų173146 Ų14680%0.80179%0.793SS**  trans-122.7101.9157.3-105.2-81000108.8
316G33.5Very low35.2Very low76 Ų76147.4 Ų147.478%0.78479%0.793SS**  trans-78.4116.4168.500000109.5
317V33.8Very low35.5Very low136 Ų136149 Ų14982%0.82479%0.794SS**  trans-79.6122.7171.2178.30000108.3
318S32Very low35.6Very low118 Ų118145.5 Ų145.583%0.82579%0.792SS**  trans-119.6143165.6-166.90000108.8
319I34.5Very low35.9Very low154 Ų154146.9 Ų146.979%0.7980%0.798SS**  trans-100.5128-167.2-62.8157.5000109.2
320L35Very low36.2Very low168 Ų168146.6 Ų146.688%0.8880%0.802SS**  trans-173.2154.3155.2-108.3163.8000112.8
321S32Very low36.2Very low100 Ų100150.5 Ų150.570%0.69981%0.805SS**  trans56.6119.1-177.7-97.80000117.9D323S321-D323 PolarHBondContact OG-OD2 2.89Å
322E37.1Very low36.3Very low177 Ų177147.6 Ų147.683%0.82781%0.809SS**  trans-131.669174.9-170.8175.1177.800108.9
323D39.6Very low36.2Very low142 Ų142154.3 Ų154.376%0.75982%0.82SS**  trans-95.298.9177.8-67.5-70.1000109.6S321S321-D323 PolarHBondContact OG-OD2 2.89Å
324T43.2Very low36.3Very low123 Ų123158.3 Ų158.376%0.75583%0.828SS**  trans-99.696.8-179.146.20000112L326T324-L326 PolarHBondContact O-N 3.14Å; T324-L326 VanDerWaalsContact O-N 3.17Å
325D38.2Very low36.6Very low155 Ų155155.6 Ų155.683%0.82982%0.823SS**  trans-66.8109172.8-97.3-43.2000111.8N327D325-N327 PolarHBondContact O-N 3.46Å; D325-N327 VanDerWaalsContact O-N 3.09Å
326L40Very low36.7Very low162 Ų162158.6 Ų158.685%0.84883%0.828SS**  trans-85.374.7-179.2-170.973.5000111.8T324T324-L326 PolarHBondContact O-N 3.14Å; T324-L326 VanDerWaalsContact O-N 3.17Å
327N40Very low36.8Very low139 Ų139162.2 Ų162.274%0.74383%0.829SS**  trans-132.674.9178-84.3-53.7000113.5D325D325-N327 PolarHBondContact O-N 3.46Å; D325-N327 VanDerWaalsContact O-N 3.09Å
328D38.5Very low37.2Very low151 Ų151164.7 Ų164.781%0.80783%0.832SS**  trans-171.893.1136.9-117.5-26.5000113.4
329L40.7Very low37.3Very low169 Ų169165.9 Ų165.989%0.88583%0.829SS**  trans-140.737.4171.4-97.8179.2000113.2
330V38.5Very low37.4Very low138 Ų138165.9 Ų165.984%0.83683%0.83SS**SBendtrans-129.435.5-179.8-157.50000113
331R35.7Very low37.4Very low236 Ų236161.1 Ų161.189%0.89182%0.822SS**SBendtrans-151.947173.7-132.5170.3-165.4158.44.6119.5
332S37.4Very low37.5Very low127 Ų127166.6 Ų166.689%0.88883%0.833SS**  trans-158.5102.3154.3-88.20000113.2
333R34.2Very low37.5Very low251 Ų251162.2 Ų162.295%0.94782%0.822SS**  trans-153.667167.7-155.7178.2-160.1-173.16.2113.2
334K34.7Very low37.3Very low195 Ų195162.8 Ų162.885%0.84883%0.825SS**  trans-159.6149.2164.3-119.7-180179.4-176.40110
335Q38.2Very low37.2Very low177 Ų177167.3 Ų167.383%0.82783%0.83SS**  trans57.1113.3178.7-69160.6-84.900114.5
336R34.2Very low37.1Very low237 Ų237170 Ų17089%0.89484%0.835SS**  cis-153.9149.848.6-72.9174.9175.41291.3112.5
337D36.1Very low36.9Very low152 Ų152169.6 Ų169.681%0.81383%0.833SS**  trans-95.2170.5159.4-62.9-75.4000110.6
338Q41.9Very low36.6Very low188 Ų188172.9 Ų172.988%0.87984%0.841SS**  trans70.3145.7178.5-50174.5-0.400113.8
339N33.6Very low36.5Very low143 Ų143169.2 Ų169.277%0.76584%0.839SS**  cis-140.4179.215.2-158.9-3.2000112.5
340N36.6Very low36.4Very low153 Ų153170.9 Ų170.982%0.81884%0.839SS**  trans-67.6134.3-167.1-70.6-52.1000116.9
341G34.4Very low36.4Very low68 Ų68172.8 Ų172.870%0.70184%0.838SS**  71.712811300000121.2
342F35.3Very low36.7Very low215 Ų215169.8 Ų169.894%0.94383%0.832SS**  -152.5145.4124.9-134.5-97.3000113.1
343S37Very low36.8Very low85 Ų85168.4 Ų168.459%0.59482%0.82SS**  trans3.7121.3174-143.50000120.4
344N35.6Very low37.1Very low154 Ų154162.9 Ų162.982%0.82482%0.818SS**  trans-58.9140.4139-68.6-46.3000109
345Y40.6Very low37.8Very low218 Ų218157 Ų15786%0.85580%0.802SS**  trans167.770.8147.9-87-54.6000110.8
346F36.1Very low38.6Very low213 Ų213154.1 Ų154.193%0.93480%0.796SS**  trans-164119.4139.2-126.6-86.7000109.5
347L36.3Very low39.9Very low153 Ų153146.7 Ų146.780%0.80178%0.78SS**  trans-86.4157.6-179.7-78.4156.7000111
348F33.1Very low41Very low207 Ų207142.4 Ų142.491%0.90876%0.758SS**SBendtrans55.192.1177.2-75.9-87000116.4
349G36.4Very low42.5Very low74 Ų74138 Ų13876%0.76374%0.739SS**  trans15637.716200000118.7
350K39.2Very low44.6Very low204 Ų204135.2 Ų135.289%0.88773%0.729SS**  trans-162.270.6178-110.2156.2-172.6175.80113.5
351H38.7Very low46.4Very low178 Ų178132.7 Ų132.782%0.82472%0.715SS**  trans-150.332.1172.7-111.2-65.9000116.9
352F40Very low48.6Very low174 Ų174135.2 Ų135.276%0.76371%0.712SS**  trans-131.584.7162.9-75.2-67.7000111.3
353P40.5Very low50.9Low97 Ų97129.8 Ų129.863%0.6369%0.692SS**  trans-65.813015729.6-32000108.5S355P353-S355 PolarHBondContact O-N 3.14Å
354C40.5Very low52.9Low135 Ų135130.5 Ų130.591%0.91269%0.688SS**  trans-74.766.9177.7-70.30000111.9
355S48.5Very low55.2Low72 Ų72128 Ų12850%0.50367%0.674SS.*  trans-78.6138.2159.3-170.50000109.4P353 S357 N358P353-S355 PolarHBondContact O-N 3.14Å; S355-S357 PolarHBondContact O-N 2.99Å; S355-N358 PolarHBondContact O-N 3.42Å
356V55.3Low57.2Low117 Ų117120.2 Ų120.271%0.70965%0.651SS**G310 helixtrans-60.7-21.8-171.3-175.30000112.4N358 I359V356-N358 PolarHBondContact O-N 3.11Å; V356-N358 VanDerWaalsContact O-N 3.14Å; V356-I359 HydrophobicContact CG1-CD1 3.89Å; V356-I359 WeakPolarHBondContact O-CG1 3.34Å; V356-I359 PolarHBondContact O-N 2.85Å
357S61.2Low59.5Low80 Ų80113.2 Ų113.256%0.55963%0.629SS**G310 helixtrans-56.6-24.817659.90000115.2S355 P360S355-S357 PolarHBondContact O-N 2.99Å; S357-P360 WeakPolarHBondContact O-CD 3.39Å
358N59.2Low62Low63 Ų63110.2 Ų110.234%0.33761%0.613SS.*G310 helixtrans-90.2-7.5-170.8-67.3-15000114.2S355 V356 N361 L362S355-N358 PolarHBondContact O-N 3.42Å; V356-N358 PolarHBondContact O-N 3.11Å; V356-N358 VanDerWaalsContact O-N 3.14Å; N358-N361 PolarHBondContact O-N 3.12Å; N358-L362 PolarHBondContact O-N 3.46Å
359I74.4Confident64.5Low95 Ų95105.1 Ų105.149%0.48759%0.594SS.*Hα-helixtrans-57.9-45.1-178-62.2173.4000112.8V356 N361 L362 I363V356-I359 HydrophobicContact CG1-CD1 3.89Å; V356-I359 WeakPolarHBondContact O-CG1 3.34Å; V356-I359 PolarHBondContact O-N 2.85Å; I359-N361 VanDerWaalsContact C-N 3.33Å; I359-N361 PolarHBondContact O-N 3.15Å; I359-L362 PolarHBondContact O-N 2.91Å; I359-I363 HydrophobicContact CG2-CD1 3.75Å; I359-I363 HydrophobicContact CG2-CG1 4.35Å; I359-I363 WeakPolarHBondContact O-CG1 3.49Å; I359-I363 PolarHBondContact O-N 3.04Å
360P77Confident67.1Low84 Ų84105.6 Ų105.655%0.54558%0.582SS.*Hα-helixtrans-61.3-39.4-179.7-23.535000113.1S357 I363 L364S357-P360 WeakPolarHBondContact O-CD 3.39Å; P360-I363 PolarHBondContact O-N 2.87Å; P360-L364 WeakPolarHBondContact O-CB 3.47Å; P360-L364 PolarHBondContact O-N 2.97Å
361N75.9Confident69.2Low100 Ų10099.4 Ų99.454%0.53556%0.564SS.*Hα-helixtrans-67.4-39.8179.4-66.3-20.8000111.4N358 I359 L364 I365N358-N361 PolarHBondContact O-N 3.12Å; I359-N361 VanDerWaalsContact C-N 3.33Å; I359-N361 PolarHBondContact O-N 3.15Å; N361-L364 PolarHBondContact O-N 3.06Å; N361-I365 VanDerWaalsContact O-CG1 3.3Å; N361-I365 WeakPolarHBondContact O-CG1 3.41Å; N361-I365 PolarHBondContact O-N 2.87Å
362L80.1Confident71.5Confident121 Ų12198.4 Ų98.463%0.63456%0.557SS**Hα-helixtrans-69.9-37.1178.6-164.6136.8000111.9N358 I359 S366N358-L362 PolarHBondContact O-N 3.46Å; I359-L362 PolarHBondContact O-N 2.91Å; L362-S366 WeakPolarHBondContact O-CB 3.43Å; L362-S366 PolarHBondContact O-N 3.25Å; L362-S366 PolarHBondContact O-OG 3.44Å
363I82.3Confident73.9Confident101 Ų10194.5 Ų94.552%0.51855%0.547SS..Hα-helixtrans-60.3-48.4170.5-68168.7000110.4I359 P360 I365 S366 S367I359-I363 HydrophobicContact CG2-CD1 3.75Å; I359-I363 HydrophobicContact CG2-CG1 4.35Å; I359-I363 WeakPolarHBondContact O-CG1 3.49Å; I359-I363 PolarHBondContact O-N 3.04Å; P360-I363 PolarHBondContact O-N 2.87Å; I363-I365 PolarHBondContact O-N 3.35Å; I363-S366 PolarHBondContact O-N 2.73Å; I363-S366 VanDerWaalsContact O-N 3.15Å; I363-S366 PolarHBondContact O-OG 3.25Å; I363-S367 PolarHBondContact O-N 2.89Å
364L80.2Confident76.1Confident101 Ų10195.3 Ų95.353%0.52955%0.545SS..Hα-helixtrans-64.4-38.5-178.9-175.8144000112.7P360 N361 S367 I368P360-L364 WeakPolarHBondContact O-CB 3.47Å; P360-L364 PolarHBondContact O-N 2.97Å; N361-L364 PolarHBondContact O-N 3.06Å; L364-S367 PolarHBondContact O-OG 3.42Å; L364-S367 VanDerWaalsContact O-OG 3.09Å; L364-I368 HydrophobicContact CD2-CD1 3.68Å; L364-I368 HydrophobicContact CG-CD1 4.43Å; L364-I368 WeakPolarHBondContact O-CD1 3.31Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.31Å; L364-I368 PolarHBondContact O-N 2.79Å
365I83.6Confident78.3Confident100 Ų10092.6 Ų92.651%0.51353%0.525SS..Hα-helixtrans-64.6-43.5172.4-68.9164.1000110.5N361 I363 S367 I368 I369N361-I365 VanDerWaalsContact O-CG1 3.3Å; N361-I365 WeakPolarHBondContact O-CG1 3.41Å; N361-I365 PolarHBondContact O-N 2.87Å; I363-I365 PolarHBondContact O-N 3.35Å; I365-S367 PolarHBondContact O-N 2.83Å; I365-I368 PolarHBondContact O-N 3.32Å; I365-I369 HydrophobicContact CG2-CD1 3.88Å; I365-I369 WeakPolarHBondContact O-CG1 3.46Å; I365-I369 PolarHBondContact O-N 2.93Å; I365-I369 VanDerWaalsContact O-N 3.12Å
366S83.6Confident79.9Confident55 Ų5591.7 Ų91.739%0.38552%0.522SS..Hα-helixtrans-64.7-38-179.975.90000113L362 I363 I369 V370L362-S366 WeakPolarHBondContact O-CB 3.43Å; L362-S366 PolarHBondContact O-N 3.25Å; L362-S366 PolarHBondContact O-OG 3.44Å; I363-S366 PolarHBondContact O-N 2.73Å; I363-S366 VanDerWaalsContact O-N 3.15Å; I363-S366 PolarHBondContact O-OG 3.25Å; S366-I369 PolarHBondContact O-N 2.88Å; S366-V370 WeakPolarHBondContact O-CG2 3.39Å; S366-V370 PolarHBondContact O-N 3.33Å
367S84Confident81.3Confident66 Ų6689.1 Ų89.146%0.46251%0.509SS..Hα-helixtrans-70.7-34.9178.767.30000112.3I363 L364 I365 C371I363-S367 PolarHBondContact O-N 2.89Å; L364-S367 PolarHBondContact O-OG 3.42Å; L364-S367 VanDerWaalsContact O-OG 3.09Å; I365-S367 PolarHBondContact O-N 2.83Å; S367-C371 VanDerWaalsContact O-CB 3.23Å; S367-C371 WeakPolarHBondContact O-CB 3.41Å; S367-C371 PolarHBondContact O-N 3.29Å
368I87.4Confident82.4Confident91 Ų9192.1 Ų92.147%0.46751%0.509SS..Hα-helixtrans-62.2-45.3172.2-69.4167.2000110.7L364 I365 C371 F372L364-I368 HydrophobicContact CD2-CD1 3.68Å; L364-I368 HydrophobicContact CG-CD1 4.43Å; L364-I368 WeakPolarHBondContact O-CD1 3.31Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.31Å; L364-I368 PolarHBondContact O-N 2.79Å; I365-I368 PolarHBondContact O-N 3.32Å; I368-C371 PolarHBondContact O-N 2.92Å; I368-F372 HydrophobicContact CG2-CD2 4.26Å; I368-F372 PolarHBondContact O-N 3.19Å
369I87.5Confident83.4Confident99 Ų9993.5 Ų93.551%0.50852%0.516SS..Hα-helixtrans-63.7-47.4178.7-66.7166.6000110.9I365 S366 C371 F372 V373I365-I369 HydrophobicContact CG2-CD1 3.88Å; I365-I369 WeakPolarHBondContact O-CG1 3.46Å; I365-I369 PolarHBondContact O-N 2.93Å; I365-I369 VanDerWaalsContact O-N 3.12Å; S366-I369 PolarHBondContact O-N 2.88Å; I369-C371 VanDerWaalsContact C-N 3.32Å; I369-C371 PolarHBondContact O-N 3.13Å; I369-F372 PolarHBondContact O-N 2.89Å; I369-V373 WeakPolarHBondContact O-CG2 3.36Å; I369-V373 PolarHBondContact O-N 3.33Å
370V89.2Confident83.6Confident85 Ų8593 Ų9352%0.51552%0.517SS..Hα-helixtrans-61.2-41177.1171.10000111.3S366 F372 V373 L374S366-V370 WeakPolarHBondContact O-CG2 3.39Å; S366-V370 PolarHBondContact O-N 3.33Å; V370-F372 PolarHBondContact O-N 3.1Å; V370-V373 PolarHBondContact O-N 3.22Å; V370-L374 HydrophobicContact CG1-CD1 3.95Å; V370-L374 HydrophobicContact CG1-CG 4.37Å; V370-L374 WeakPolarHBondContact O-CG 3.35Å; V370-L374 PolarHBondContact O-N 3.45Å
371C84.9Confident83.6Confident74 Ų7493.6 Ų93.650%0.552%0.515SS..Hα-helixtrans-61.7-43.5175.7-167.10000111.8S367 I368 I369 V373 L374 V375S367-C371 VanDerWaalsContact O-CB 3.23Å; S367-C371 WeakPolarHBondContact O-CB 3.41Å; S367-C371 PolarHBondContact O-N 3.29Å; I368-C371 PolarHBondContact O-N 2.92Å; I369-C371 VanDerWaalsContact C-N 3.32Å; I369-C371 PolarHBondContact O-N 3.13Å; C371-V373 PolarHBondContact O-N 2.72Å; C371-L374 PolarHBondContact O-N 3.48Å; C371-V375 WeakPolarHBondContact O-CG2 3.41Å; C371-V375 PolarHBondContact O-N 2.89Å
372F87.2Confident83.6Confident157 Ų15794.6 Ų94.669%0.68952%0.515SS*.Hα-helixtrans-60.3-43.6174.3-106.6-82.3000112.9I368 I369 V370 V375 A376I368-F372 HydrophobicContact CG2-CD2 4.26Å; I368-F372 PolarHBondContact O-N 3.19Å; I369-F372 PolarHBondContact O-N 2.89Å; V370-F372 PolarHBondContact O-N 3.1Å; F372-V375 PolarHBondContact O-N 2.89Å; F372-A376 WeakPolarHBondContact O-CB 3.35Å; F372-A376 PolarHBondContact O-N 2.85Å
373V88.5Confident83.1Confident92 Ų9294.4 Ų94.456%0.55851%0.514SS*.Hα-helixtrans-64.6-41.2177.21730000111.4I369 V370 C371 A376 S377I369-V373 WeakPolarHBondContact O-CG2 3.36Å; I369-V373 PolarHBondContact O-N 3.33Å; V370-V373 PolarHBondContact O-N 3.22Å; C371-V373 PolarHBondContact O-N 2.72Å; V373-A376 PolarHBondContact O-N 2.99Å; V373-S377 VanDerWaalsContact O-CB 3.28Å; V373-S377 WeakPolarHBondContact O-CB 3.44Å; V373-S377 PolarHBondContact O-N 2.91Å
374L88.1Confident82.5Confident113 Ų11395.6 Ų95.659%0.59252%0.518SS*.Hα-helixtrans-65.9-41.6176.4-71.4172.1000112.3V370 C371 S377 Y378V370-L374 HydrophobicContact CG1-CD1 3.95Å; V370-L374 HydrophobicContact CG1-CG 4.37Å; V370-L374 WeakPolarHBondContact O-CG 3.35Å; V370-L374 PolarHBondContact O-N 3.45Å; C371-L374 PolarHBondContact O-N 3.48Å; L374-S377 PolarHBondContact O-N 3.4Å; L374-Y378 VanDerWaalsContact O-CB 3.32Å; L374-Y378 WeakPolarHBondContact O-CB 3.49Å; L374-Y378 PolarHBondContact O-N 3.38Å
375V85.3Confident81.5Confident78 Ų7897.2 Ų97.247%0.47352%0.522SS..Hα-helixtrans-65-44175.5170.70000111.1C371 F372 Y378 L379C371-V375 WeakPolarHBondContact O-CG2 3.41Å; C371-V375 PolarHBondContact O-N 2.89Å; F372-V375 PolarHBondContact O-N 2.89Å; V375-Y378 PolarHBondContact O-N 2.74Å; V375-L379 HydrophobicContact CG1-CD1 4.2Å; V375-L379 WeakPolarHBondContact O-CG 3.47Å; V375-L379 PolarHBondContact O-N 3Å
376A82.8Confident80.5Confident54 Ų5494 Ų9445%0.44651%0.514SS..Hα-helixtrans-62.1-45.7176.400000111.9F372 V373 Y378 L379 V380F372-A376 WeakPolarHBondContact O-CB 3.35Å; F372-A376 PolarHBondContact O-N 2.85Å; V373-A376 PolarHBondContact O-N 2.99Å; A376-Y378 PolarHBondContact O-N 3.24Å; A376-L379 PolarHBondContact O-N 3.31Å; A376-V380 WeakPolarHBondContact O-CG2 3.41Å; A376-V380 PolarHBondContact O-N 2.89Å; A376-V380 VanDerWaalsContact O-N 3.08Å
377S85.1Confident79.7Confident63 Ų6396.6 Ų96.644%0.44152%0.52SS..Hα-helixtrans-61.9-42.6176.6-174.90000112.3V373 L374 L379 V380 L381V373-S377 VanDerWaalsContact O-CB 3.28Å; V373-S377 WeakPolarHBondContact O-CB 3.44Å; V373-S377 PolarHBondContact O-N 2.91Å; L374-S377 PolarHBondContact O-N 3.4Å; S377-L379 PolarHBondContact O-N 3.03Å; S377-V380 PolarHBondContact O-N 3.04Å; S377-L381 PolarHBondContact O-N 3.12Å
378Y83.9Confident78.6Confident143 Ų14398.1 Ų98.156%0.56153%0.526SS*.Hα-helixtrans-60.6-41.5175.3172.4-98.4000112.6L374 V375 A376 K382L374-Y378 VanDerWaalsContact O-CB 3.32Å; L374-Y378 WeakPolarHBondContact O-CB 3.49Å; L374-Y378 PolarHBondContact O-N 3.38Å; V375-Y378 PolarHBondContact O-N 2.74Å; A376-Y378 PolarHBondContact O-N 3.24Å; Y378-K382 HydrophobicContact CE1-CD 4.07Å; Y378-K382 VanDerWaalsContact O-CB 3.24Å; Y378-K382 WeakPolarHBondContact O-CB 3.46Å; Y378-K382 PolarHBondContact O-N 3.06Å
379L79.6Confident77.6Confident92 Ų9295.2 Ų95.248%0.48252%0.519SS..Hα-helixtrans-64.3-46.6176.8-69.3169.4000111.4V375 A376 S377 L381 K382 D383V375-L379 HydrophobicContact CG1-CD1 4.2Å; V375-L379 WeakPolarHBondContact O-CG 3.47Å; V375-L379 PolarHBondContact O-N 3Å; A376-L379 PolarHBondContact O-N 3.31Å; S377-L379 PolarHBondContact O-N 3.03Å; L379-L381 PolarHBondContact O-N 3.41Å; L379-K382 WeakPolarHBondContact O-CB 3.49Å; L379-K382 PolarHBondContact O-N 3.49Å; L379-D383 PolarHBondContact O-N 3.2Å
380V79.5Confident76.7Confident85 Ų8594.2 Ų94.252%0.51551%0.511SS..Hα-helixtrans-62.4-43178.51730000112.2A376 S377 K382 H384A376-V380 WeakPolarHBondContact O-CG2 3.41Å; A376-V380 PolarHBondContact O-N 2.89Å; A376-V380 VanDerWaalsContact O-N 3.08Å; S377-V380 PolarHBondContact O-N 3.04Å; V380-K382 VanDerWaalsContact C-N 3.33Å; V380-K382 PolarHBondContact O-N 2.99Å; V380-H384 PolarHBondContact O-CD2 3.35Å; V380-H384 PolarHBondContact O-N 2.9Å
381L76.5Confident75.8Confident96 Ų9696.2 Ų96.250%0.50352%0.516SS..Hα-helixtrans-62.8-40.7174.3-105.273.6000112S377 L379 D383 H384 H385S377-L381 PolarHBondContact O-N 3.12Å; L379-L381 PolarHBondContact O-N 3.41Å; L381-D383 PolarHBondContact O-N 2.8Å; L381-H384 PolarHBondContact O-N 3.15Å; L381-H385 PolarHBondContact O-CD2 3.49Å; L381-H385 PolarHBondContact O-N 3.07Å
382K75.9Confident75Confident121 Ų12195 Ų9553%0.52651%0.511SS..Hα-helixtrans-64.2-40-178.3-175.9174-176.4171.30112.2Y378 L379 V380 G386Y378-K382 HydrophobicContact CE1-CD 4.07Å; Y378-K382 VanDerWaalsContact O-CB 3.24Å; Y378-K382 WeakPolarHBondContact O-CB 3.46Å; Y378-K382 PolarHBondContact O-N 3.06Å; L379-K382 WeakPolarHBondContact O-CB 3.49Å; L379-K382 PolarHBondContact O-N 3.49Å; V380-K382 VanDerWaalsContact C-N 3.33Å; V380-K382 PolarHBondContact O-N 2.99Å; K382-G386 PolarHBondContact O-N 3.11Å; K382-G386 VanDerWaalsContact O-N 3.07Å
383D70.8Confident74.3Confident116 Ų11690.1 Ų90.162%0.6249%0.492SS*.Hα-helixtrans-67-47.8177.3-72.2-25.7000111.1L379 L381 H385 G386 E387L379-D383 PolarHBondContact O-N 3.2Å; L381-D383 PolarHBondContact O-N 2.8Å; D383-H385 PolarHBondContact O-N 3.34Å; D383-G386 WeakPolarHBondContact O-CA 3.5Å; D383-G386 PolarHBondContact O-N 3.37Å; D383-E387 PolarHBondContact O-N 3.26Å
384H68.3Low73.8Confident127 Ų12786.8 Ų86.859%0.58847%0.472SS*.Hα-helixtrans-60.7-45.6177.9-83-57.4000113.8V380 L381 G386 E387V380-H384 PolarHBondContact O-CD2 3.35Å; V380-H384 PolarHBondContact O-N 2.9Å; L381-H384 PolarHBondContact O-N 3.15Å; H384-G386 PolarHBondContact O-N 2.99Å; H384-E387 PolarHBondContact O-N 3.37Å
385H60.4Low73.2Confident135 Ų13588.1 Ų88.163%0.62548%0.475SS*.Hα-helixtrans-64.9-28.3175-75.6-61.7000112.4L381 D383 E387L381-H385 PolarHBondContact O-CD2 3.49Å; L381-H385 PolarHBondContact O-N 3.07Å; D383-H385 PolarHBondContact O-N 3.34Å; H385-E387 VanDerWaalsContact C-N 3.32Å; H385-E387 PolarHBondContact O-N 2.99Å
386G62.9Low72.5Confident33 Ų3391.8 Ų91.834%0.3449%0.485SS..Hα-helixtrans-70.1-20.8174.400000114.7K382 D383 H384 K390K382-G386 PolarHBondContact O-N 3.11Å; K382-G386 VanDerWaalsContact O-N 3.07Å; D383-G386 WeakPolarHBondContact O-CA 3.5Å; D383-G386 PolarHBondContact O-N 3.37Å; H384-G386 PolarHBondContact O-N 2.99Å; G386-K390 WeakPolarHBondContact O-CD 3.32Å; G386-K390 WeakPolarHBondContact O-CE 3.35Å; G386-K390 WeakPolarHBondContact O-CG 3.3Å
387E66Low72.1Confident109 Ų10989.9 Ų89.951%0.50947%0.467SS..Hα-helixtrans-89.9-41.9-179.5-63.7-157.5136.700113.7D383 H384 H385 G389 K390 M391D383-E387 PolarHBondContact O-N 3.26Å; H384-E387 PolarHBondContact O-N 3.37Å; H385-E387 VanDerWaalsContact C-N 3.32Å; H385-E387 PolarHBondContact O-N 2.99Å; E387-G389 PolarHBondContact O-N 3.34Å; E387-K390 WeakPolarHBondContact O-CB 3.17Å; E387-K390 PolarHBondContact O-N 3.15Å; E387-K390 VanDerWaalsContact O-N 3.11Å; E387-M391 PolarHBondContact O-N 3.36Å
388V61.1Low71.8Confident97 Ų9789.5 Ų89.559%0.58846%0.46SS*.Hα-helixtrans-62.4-32.1176.3-65.40000112.4A392V388-A392 PolarHBondContact O-N 2.86Å
389G65.4Low71.3Confident31 Ų3183.8 Ų83.832%0.3244%0.441SS..Hα-helixtrans-64.6-36.9173.800000113.8E387 D393E387-G389 PolarHBondContact O-N 3.34Å; G389-D393 PolarHBondContact O-N 3.11Å
390K69.8Low70.7Confident77 Ų7791.1 Ų91.134%0.33546%0.462SS..Hα-helixtrans-62.7-47.6178.4-65.5163.8-170.5158.90111.3G386 E387 D393 V394 H499G386-K390 WeakPolarHBondContact O-CD 3.32Å; G386-K390 WeakPolarHBondContact O-CE 3.35Å; G386-K390 WeakPolarHBondContact O-CG 3.3Å; E387-K390 WeakPolarHBondContact O-CB 3.17Å; E387-K390 PolarHBondContact O-N 3.15Å; E387-K390 VanDerWaalsContact O-N 3.11Å; K390-D393 PolarHBondContact O-N 3.32Å; K390-V394 WeakPolarHBondContact O-CG2 3.47Å; K390-V394 PolarHBondContact O-N 3.07Å; K390-H499 WeakPolarHBondContact CA-ND1 3.31Å; K390-H499 HydrophobicContact CB-CB 4.45Å; K390-H499 HydrophobicContact CG-CB 3.96Å; K390-H499 WeakPolarHBondContact CG-ND1 3.35Å
391M69.1Low69.8Low128 Ų12890.2 Ų90.263%0.63146%0.459SS*.Hα-helixtrans-64.7-42.6-178-62.2-174.7-179.500111.3E387 D393 V394 Q395E387-M391 PolarHBondContact O-N 3.36Å; M391-D393 VanDerWaalsContact C-N 3.34Å; M391-D393 PolarHBondContact O-N 3.05Å; M391-V394 PolarHBondContact O-N 3.15Å; M391-Q395 WeakPolarHBondContact O-CB 3.46Å; M391-Q395 VanDerWaalsContact O-CG 3.29Å; M391-Q395 WeakPolarHBondContact O-CG 3.3Å; M391-Q395 PolarHBondContact O-N 3.2Å
392A69.2Low68.8Low48 Ų4889.6 Ų89.640%0.39746%0.463SS..Hα-helixtrans-65.2-31.4179.100000113.9V388V388-A392 PolarHBondContact O-N 2.86Å
393D72.6Confident67.8Low54 Ų5485.5 Ų85.529%0.28946%0.455SS..Hα-helixtrans-82.3-37.4175.7-83.2-14.2000112.9G389 K390 M391 Q395 K396 H499G389-D393 PolarHBondContact O-N 3.11Å; K390-D393 PolarHBondContact O-N 3.32Å; M391-D393 VanDerWaalsContact C-N 3.34Å; M391-D393 PolarHBondContact O-N 3.05Å; D393-Q395 VanDerWaalsContact C-N 3.28Å; D393-Q395 PolarHBondContact O-N 2.76Å; D393-K396 WeakPolarHBondContact O-CB 3.47Å; D393-K396 PolarHBondContact O-N 3.28Å; D393-K396 WeakPolarHBondContact OD1-CE 3.4Å; D393-K396 IonicContact OD1-NZ 2.58Å; D393-K396 PolarHBondContact OD1-NZ 3.1Å; D393-H499 WeakPolarHBondContact CB-NE2 3.4Å; D393-H499 IonicContact OD2-CD2 3.75Å; D393-H499 IonicContact OD2-CE1 2.69Å; D393-H499 IonicContact OD2-NE2 2.61Å; D393-H499 PolarHBondContact OD2-NE2 3.07Å
394V77Confident67.1Low22 Ų2283.5 Ų83.513%0.13345%0.445CS..Hα-helixtrans-60.3-40.3171170.80000110.8K390 M391 K396 L397 L422 L426 V495 F500K390-V394 WeakPolarHBondContact O-CG2 3.47Å; K390-V394 PolarHBondContact O-N 3.07Å; M391-V394 PolarHBondContact O-N 3.15Å; V394-K396 PolarHBondContact O-N 3.46Å; V394-K396 VanDerWaalsContact O-N 3.15Å; V394-L397 WeakPolarHBondContact O-CB 3.45Å; V394-L397 PolarHBondContact O-N 2.95Å; V394-L397 VanDerWaalsContact O-N 3.1Å; V394-L422 HydrophobicContact CG1-CD1 4.46Å; V394-L422 HydrophobicContact CG1-CD2 4.06Å; V394-L426 HydrophobicContact CG1-CD1 4.16Å; V394-V495 HydrophobicContact CG2-CG1 3.81Å; V394-F500 HydrophobicContact CG2-CE2 4.42Å
395Q74.9Confident66.4Low141 Ų14180.1 Ų80.166%0.65943%0.427SS*.G310 helixtrans-62.3-19.8178.7-80.4176.9-19.600114.4M391 D393 L397M391-Q395 WeakPolarHBondContact O-CB 3.46Å; M391-Q395 VanDerWaalsContact O-CG 3.29Å; M391-Q395 WeakPolarHBondContact O-CG 3.3Å; M391-Q395 PolarHBondContact O-N 3.2Å; D393-Q395 VanDerWaalsContact C-N 3.28Å; D393-Q395 PolarHBondContact O-N 2.76Å; Q395-L397 PolarHBondContact O-N 3.32Å
396K72.5Confident66Low156 Ų15678.3 Ų78.368%0.67842%0.422SS*.G310 helixtrans-72.7-10.6175.8-66.3168-173.6169.80113.6D393 V394D393-K396 WeakPolarHBondContact O-CB 3.47Å; D393-K396 PolarHBondContact O-N 3.28Å; D393-K396 WeakPolarHBondContact OD1-CE 3.4Å; D393-K396 IonicContact OD1-NZ 2.58Å; D393-K396 PolarHBondContact OD1-NZ 3.1Å; V394-K396 PolarHBondContact O-N 3.46Å; V394-K396 VanDerWaalsContact O-N 3.15Å
397L74.1Confident65.4Low13 Ų1380.4 Ų80.47%0.06843%0.425CS..G310 helixtrans-89.9-15.8-178.6-61.7173.8000113.9V394 Q395 L417 Y490 V491 H494 V495V394-L397 WeakPolarHBondContact O-CB 3.45Å; V394-L397 PolarHBondContact O-N 2.95Å; V394-L397 VanDerWaalsContact O-N 3.1Å; Q395-L397 PolarHBondContact O-N 3.32Å; L397-L417 PolarHBondContact O-N 3.29Å; L397-Y490 HydrophobicContact CD2-CE1 4.12Å; L397-V491 HydrophobicContact CD1-CB 4.38Å; L397-V491 HydrophobicContact CD1-CG1 4.07Å; L397-V491 HydrophobicContact CD1-CG2 4.12Å; L397-H494 HydrophobicContact CD2-CB 3.85Å; L397-V495 HydrophobicContact CD1-CG2 3.62Å; L397-V495 HydrophobicContact CG-CG2 4.24Å
398L77.5Confident64.7Low55 Ų5576 Ų7629%0.28841%0.406SS..BIsolated β-bridgetrans-75.5144.7-179.8-67.991.5000111.9R400 L417 E419 L422L398-R400 PolarHBondContact O-N 3.48Å; L398-L417 CarbonylContact C-O 3.45Å; L398-L417 WeakPolarHBondContact CA-O 3.21Å; L398-E419 HydrophobicContact CD2-CB 4.17Å; L398-E419 HydrophobicContact CD2-CG 4.17Å; L398-L422 HydrophobicContact CD1-CD2 3.39Å; L398-L422 HydrophobicContact CD2-CD2 4.33Å; L398-L422 HydrophobicContact CG-CD2 3.68Å
399C73.9Confident64.3Low24 Ų2477 Ų7716%0.16241%0.408CS..  trans-65.2131.1167.4-62.50000110.5S401 C416 L417C399-S401 VanDerWaalsContact C-N 3.31Å; C399-S401 PolarHBondContact O-N 3.2Å; C399-C416 WeakPolarHBondContact CA-SG 3.48Å; C399-C416 HydrophobicContact CB-CB 3.9Å; C399-C416 WeakPolarHBondContact CB-SG 3.32Å; C399-C416 WeakPolarHBondContact SG-CB 3.43Å; C399-C416 PolarHBondContact SG-O 3.12Å; C399-C416 CovalentContact SG-SG 2.04Å; C399-C416 PolarHBondContact SG-SG 3.15Å; C399-L417 PolarHBondContact N-O 3.39Å
400R66.8Low63.5Low245 Ų24580.7 Ų80.793%0.92542%0.424SS*.SBendtrans-77.4-18-179.2-165.4169.9-176.5152.51.8113.3L398L398-R400 PolarHBondContact O-N 3.48Å
401S60.7Low62.2Low66 Ų6684.2 Ų84.246%0.46244%0.44SS..SBendtrans-147.9150.6172.3179.50000110.7C399 G403 D404C399-S401 VanDerWaalsContact C-N 3.31Å; C399-S401 PolarHBondContact O-N 3.2Å; S401-G403 PolarHBondContact O-N 3.01Å; S401-G403 PolarHBondContact OG-N 3.43Å; S401-D404 WeakPolarHBondContact CB-OD2 3.1Å; S401-D404 PolarHBondContact N-OD2 3.25Å; S401-D404 VanDerWaalsContact N-OD2 3.12Å; S401-D404 WeakPolarHBondContact O-CB 3.31Å; S401-D404 PolarHBondContact O-N 3.01Å
402S55.8Low61.1Low84 Ų8481.5 Ų81.559%0.58745%0.445SS*.Hα-helixtrans-58.8-28.9171.7-174.90000112.3D404 Y405S402-D404 VanDerWaalsContact C-N 3.28Å; S402-D404 PolarHBondContact O-N 2.78Å; S402-Y405 PolarHBondContact O-N 2.8Å
403G55.1Low59.7Low35 Ų3586.6 Ų86.636%0.36147%0.465SS..Hα-helixtrans-66.9-25.3173.400000114.3S401 N407S401-G403 PolarHBondContact O-N 3.01Å; S401-G403 PolarHBondContact OG-N 3.43Å; G403-N407 PolarHBondContact O-N 2.94Å; G403-N407 PolarHBondContact O-ND2 2.75Å
404D55.9Low58.8Low74 Ų7491.6 Ų91.640%0.39649%0.486SS..Hα-helixtrans-75.6-32.1177.7-60.9-39.2000111.4S401 S402 N407 S408S401-D404 WeakPolarHBondContact CB-OD2 3.1Å; S401-D404 PolarHBondContact N-OD2 3.25Å; S401-D404 VanDerWaalsContact N-OD2 3.12Å; S401-D404 WeakPolarHBondContact O-CB 3.31Å; S401-D404 PolarHBondContact O-N 3.01Å; S402-D404 VanDerWaalsContact C-N 3.28Å; S402-D404 PolarHBondContact O-N 2.78Å; D404-N407 PolarHBondContact O-N 3.24Å; D404-S408 WeakPolarHBondContact O-CB 3.44Å; D404-S408 PolarHBondContact O-N 3.29Å
405Y53.4Low58.3Low55 Ų5596 Ų9622%0.21650%0.5CS..Hα-helixtrans-59.2-50.7177.7-179.2-100.1000111.4S402 N407 S408 L409 R483S402-Y405 PolarHBondContact O-N 2.8Å; Y405-N407 VanDerWaalsContact C-N 3.33Å; Y405-N407 PolarHBondContact O-N 3.08Å; Y405-S408 PolarHBondContact O-N 2.87Å; Y405-S408 VanDerWaalsContact O-N 3.14Å; Y405-S408 PolarHBondContact O-OG 2.83Å; Y405-L409 PolarHBondContact O-N 3.35Å; Y405-R483 PolarHBondContact OH-NH2 3.46Å
406N52.5Low58.3Low98 Ų9890.5 Ų90.552%0.52448%0.477SS..Hα-helixtrans-66.3-32.4178.3-68-20.9000112.8T410N406-T410 WeakPolarHBondContact O-CG2 3.37Å; N406-T410 PolarHBondContact O-N 3.22Å; N406-T410 PolarHBondContact O-OG1 3.36Å
407N49.3Very low58.5Low76 Ų7683.2 Ų83.241%0.40645%0.445SS..Hα-helixtrans-71-36.1171.8-83.2-71.1000112.3G403 D404 Y405 T410 K411G403-N407 PolarHBondContact O-N 2.94Å; G403-N407 PolarHBondContact O-ND2 2.75Å; D404-N407 PolarHBondContact O-N 3.24Å; Y405-N407 VanDerWaalsContact C-N 3.33Å; Y405-N407 PolarHBondContact O-N 3.08Å; N407-T410 WeakPolarHBondContact CA-OG1 3.37Å; N407-T410 PolarHBondContact O-N 3.46Å; N407-T410 PolarHBondContact O-OG1 3.35Å; N407-K411 WeakPolarHBondContact O-CB 3.43Å; N407-K411 PolarHBondContact O-N 2.91Å; N407-K411 PolarHBondContact OD1-NZ 3.35Å; N407-K411 VanDerWaalsContact OD1-NZ 3.16Å
408S53.1Low58.7Low16 Ų1686.3 Ų86.311%0.11246%0.459CS..Hα-helixtrans-64.5-42.3177.477.40000111.6D404 Y405 T410 G412 H414D404-S408 WeakPolarHBondContact O-CB 3.44Å; D404-S408 PolarHBondContact O-N 3.29Å; Y405-S408 PolarHBondContact O-N 2.87Å; Y405-S408 VanDerWaalsContact O-N 3.14Å; Y405-S408 PolarHBondContact O-OG 2.83Å; S408-T410 VanDerWaalsContact C-N 3.26Å; S408-T410 PolarHBondContact O-N 2.67Å; S408-G412 PolarHBondContact O-N 2.72Å; S408-G412 VanDerWaalsContact O-N 3.08Å; S408-H414 WeakPolarHBondContact CB-O 3.43Å
409L52.6Low58.9Low120 Ų12089.9 Ų89.963%0.62848%0.475SS*.Hα-helixtrans-65-29.2178.5-162.372.7000112.5Y405Y405-L409 PolarHBondContact O-N 3.35Å
410T48.6Very low59.3Low107 Ų10793.7 Ų93.766%0.65649%0.493SS*.Hα-helixtrans-100.8-20.1-175.550.80000114.8N406 N407 S408N406-T410 WeakPolarHBondContact O-CG2 3.37Å; N406-T410 PolarHBondContact O-N 3.22Å; N406-T410 PolarHBondContact O-OG1 3.36Å; N407-T410 WeakPolarHBondContact CA-OG1 3.37Å; N407-T410 PolarHBondContact O-N 3.46Å; N407-T410 PolarHBondContact O-OG1 3.35Å; S408-T410 VanDerWaalsContact C-N 3.26Å; S408-T410 PolarHBondContact O-N 2.67Å
411K41.9Very low60.1Low152 Ų15283 Ų8366%0.66145%0.454SS*.Hα-helixtrans-119.7-6.1-175.8-64.7176.2-178.4159.60115.2N407 L413N407-K411 WeakPolarHBondContact O-CB 3.43Å; N407-K411 PolarHBondContact O-N 2.91Å; N407-K411 PolarHBondContact OD1-NZ 3.35Å; N407-K411 VanDerWaalsContact OD1-NZ 3.16Å; K411-L413 PolarHBondContact O-N 3.32Å
412G46.6Very low61.2Low71 Ų7180.2 Ų80.273%0.73243%0.434SS*.  trans64.70.1160.500000118.6S408S408-G412 PolarHBondContact O-N 2.72Å; S408-G412 VanDerWaalsContact O-N 3.08Å
413L38.4Very low62.6Low155 Ų15579.9 Ų79.981%0.81243%0.429SS*.SBendtrans-95-20.7-170.9-154.169.7000114.6K411K411-L413 PolarHBondContact O-N 3.32Å
414H54.9Low64.2Low158 Ų15878.4 Ų78.473%0.73141%0.413SS*.  trans-147.5115.3169.3-88.2-82.3000109S408S408-H414 WeakPolarHBondContact CB-O 3.43Å
415R65.9Low65.7Low114 Ų11474.9 Ų74.943%0.4340%0.395SS..  trans-95.699.5178.9-161.5-175.4-158.2-167.76.8109.3Y490R415-Y490 WeakPolarHBondContact O-CE1 3.41Å; R415-Y490 VanDerWaalsContact O-CZ 3.29Å; R415-Y490 PolarHBondContact O-OH 3.46Å
416C74.1Confident67.3Low27 Ų2774.7 Ų74.718%0.18240%0.397CS..PPolyproline II helixtrans-89.4154.4172.161.70000110.5C399C399-C416 WeakPolarHBondContact CA-SG 3.48Å; C399-C416 HydrophobicContact CB-CB 3.9Å; C399-C416 WeakPolarHBondContact CB-SG 3.32Å; C399-C416 WeakPolarHBondContact SG-CB 3.43Å; C399-C416 PolarHBondContact SG-O 3.12Å; C399-C416 CovalentContact SG-SG 2.04Å; C399-C416 PolarHBondContact SG-SG 3.15Å
417L77.4Confident69Low2 Ų275 Ų751%0.0139%0.391CS..BIsolated β-bridgetrans-98.4150.4178.2-85.766.7000111L397 L398 C399 D421 L422 N487 Y490 V491L397-L417 PolarHBondContact O-N 3.29Å; L398-L417 CarbonylContact C-O 3.45Å; L398-L417 WeakPolarHBondContact CA-O 3.21Å; C399-L417 PolarHBondContact N-O 3.39Å; L417-D421 HydrophobicContact CG-CB 4.47Å; L417-L422 HydrophobicContact CB-CB 4.32Å; L417-L422 HydrophobicContact CD2-CB 4.28Å; L417-L422 HydrophobicContact CD2-CD1 4.14Å; L417-N487 HydrophobicContact CD2-CB 4.1Å; L417-Y490 HydrophobicContact CD1-CD1 3.52Å; L417-Y490 HydrophobicContact CD1-CE1 3.82Å; L417-V491 HydrophobicContact CD2-CG2 3.83Å
418H78.7Confident70.9Confident79 Ų7971.4 Ų71.437%0.36637%0.372SS..PPolyproline II helixtrans-76.2161.3162.6-153.2-105.6000110.3D420 D421 L422H418-D420 VanDerWaalsContact C-N 3.33Å; H418-D420 IonicContact CE1-OD2 3.71Å; H418-D420 PolarHBondContact CE1-OD2 3.39Å; H418-D420 VanDerWaalsContact CE1-OD2 3.29Å; H418-D420 IonicContact CG-OD2 3.87Å; H418-D420 IonicContact ND1-OD2 3.18Å; H418-D420 PolarHBondContact ND1-OD2 2.9Å; H418-D420 PolarHBondContact O-N 3.36Å; H418-D421 HydrophobicContact CB-CB 4.37Å; H418-D421 PolarHBondContact O-N 3.33Å; H418-L422 WeakPolarHBondContact O-CB 3.25Å; H418-L422 PolarHBondContact O-N 3.49Å
419E81.4Confident72.6Confident130 Ų13070.7 Ų70.761%0.60737%0.367SS*.Hα-helixtrans-64.8-36.4-177.4-167.1165.7-178.600112.4L398 L422 T423L398-E419 HydrophobicContact CD2-CB 4.17Å; L398-E419 HydrophobicContact CD2-CG 4.17Å; E419-L422 PolarHBondContact O-N 2.77Å; E419-T423 WeakPolarHBondContact O-CG2 3.44Å; E419-T423 PolarHBondContact O-N 3.2Å; E419-T423 PolarHBondContact O-OG1 2.88Å
420D81.3Confident74.3Confident104 Ų10466.9 Ų66.956%0.55636%0.356SS*.Hα-helixtrans-67.4-44.7174.1-42.6-80.6000111.9H418 L422 T423 A424H418-D420 VanDerWaalsContact C-N 3.33Å; H418-D420 IonicContact CE1-OD2 3.71Å; H418-D420 PolarHBondContact CE1-OD2 3.39Å; H418-D420 VanDerWaalsContact CE1-OD2 3.29Å; H418-D420 IonicContact CG-OD2 3.87Å; H418-D420 IonicContact ND1-OD2 3.18Å; H418-D420 PolarHBondContact ND1-OD2 2.9Å; H418-D420 PolarHBondContact O-N 3.36Å; D420-L422 VanDerWaalsContact C-N 3.27Å; D420-L422 PolarHBondContact O-N 3.28Å; D420-T423 WeakPolarHBondContact CA-OG1 3.34Å; D420-T423 PolarHBondContact O-N 3.49Å; D420-T423 PolarHBondContact O-OG1 3.4Å; D420-T423 VanDerWaalsContact O-OG1 3.1Å; D420-A424 VanDerWaalsContact O-CB 3.27Å; D420-A424 WeakPolarHBondContact O-CB 3.44Å; D420-A424 PolarHBondContact O-N 2.9Å
421D83.8Confident76.2Confident20 Ų2062.1 Ų62.111%0.10733%0.326CS..Hα-helixtrans-62-36.3176-92.716.3000111.2L417 H418 S425 R483 N487L417-D421 HydrophobicContact CG-CB 4.47Å; H418-D421 HydrophobicContact CB-CB 4.37Å; H418-D421 PolarHBondContact O-N 3.33Å; D421-S425 VanDerWaalsContact O-CB 3.3Å; D421-S425 WeakPolarHBondContact O-CB 3.47Å; D421-S425 PolarHBondContact O-N 2.98Å; D421-S425 VanDerWaalsContact O-N 3.08Å; D421-S425 PolarHBondContact O-OG 3.18Å; D421-R483 IonicContact OD1-CZ 3.57Å; D421-R483 IonicContact OD1-NE 2.94Å; D421-R483 IonicContact OD1-NH2 2.8Å; D421-R483 PolarHBondContact OD1-NH2 3.08Å; D421-R483 IonicContact OD2-CZ 3.44Å; D421-R483 IonicContact OD2-NE 3.21Å; D421-R483 PolarHBondContact OD2-NE 2.95Å; D421-R483 IonicContact OD2-NH2 3.73Å; D421-R483 PolarHBondContact OD2-NH2 3.07Å; D421-N487 VanDerWaalsContact CG-ND2 3.25Å; D421-N487 PolarHBondContact OD2-ND2 3Å
422L85.1Confident78.5Confident8 Ų854.9 Ų54.94%0.04230%0.295CS..Hα-helixtrans-73.5-44.1176.3-177.161.6000112.3V394 L398 L417 H418 E419 D420 S425 L426 V491V394-L422 HydrophobicContact CG1-CD1 4.46Å; V394-L422 HydrophobicContact CG1-CD2 4.06Å; L398-L422 HydrophobicContact CD1-CD2 3.39Å; L398-L422 HydrophobicContact CD2-CD2 4.33Å; L398-L422 HydrophobicContact CG-CD2 3.68Å; L417-L422 HydrophobicContact CB-CB 4.32Å; L417-L422 HydrophobicContact CD2-CB 4.28Å; L417-L422 HydrophobicContact CD2-CD1 4.14Å; H418-L422 WeakPolarHBondContact O-CB 3.25Å; H418-L422 PolarHBondContact O-N 3.49Å; E419-L422 PolarHBondContact O-N 2.77Å; D420-L422 VanDerWaalsContact C-N 3.27Å; D420-L422 PolarHBondContact O-N 3.28Å; L422-S425 WeakPolarHBondContact CA-OG 3.49Å; L422-S425 PolarHBondContact O-N 3.06Å; L422-S425 PolarHBondContact O-OG 3.02Å; L422-L426 HydrophobicContact CD1-CD1 4.07Å; L422-L426 HydrophobicContact CD1-CG 4.01Å; L422-L426 HydrophobicContact CG-CD1 3.89Å; L422-L426 HydrophobicContact CG-CG 4.29Å; L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.38Å; L422-L426 WeakPolarHBondContact O-CG 3.36Å; L422-L426 PolarHBondContact O-N 2.83Å; L422-V491 HydrophobicContact CD1-CG2 3.91Å
423T85.6Confident80.6Confident76 Ų7654.8 Ų54.847%0.46627%0.273SS..Hα-helixtrans-66.8-40.1178.549.10000111.9E419 D420 W427E419-T423 WeakPolarHBondContact O-CG2 3.44Å; E419-T423 PolarHBondContact O-N 3.2Å; E419-T423 PolarHBondContact O-OG1 2.88Å; D420-T423 WeakPolarHBondContact CA-OG1 3.34Å; D420-T423 PolarHBondContact O-N 3.49Å; D420-T423 PolarHBondContact O-OG1 3.4Å; D420-T423 VanDerWaalsContact O-OG1 3.1Å; T423-W427 PolarHBondContact O-N 3.4Å
424A87.4Confident83Confident5 Ų549.6 Ų49.64%0.04125%0.246CC..Hα-helixtrans-60.7-50.2171.900000112D420 W427 V428 F476 V484D420-A424 VanDerWaalsContact O-CB 3.27Å; D420-A424 WeakPolarHBondContact O-CB 3.44Å; D420-A424 PolarHBondContact O-N 2.9Å; A424-W427 PolarHBondContact O-N 3.49Å; A424-V428 WeakPolarHBondContact O-CG2 3.42Å; A424-V428 PolarHBondContact O-N 2.85Å; A424-V428 VanDerWaalsContact O-N 3.09Å; A424-F476 HydrophobicContact CB-CD1 3.67Å; A424-F476 HydrophobicContact CB-CE1 4.04Å; A424-V484 HydrophobicContact CB-CG1 3.91Å; A424-V484 HydrophobicContact CB-CG2 4.27Å
425S87.5Confident84.6Confident0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-68.6-33.7-179.354.10000113.6D421 L422 W427 V428 L429 T488D421-S425 VanDerWaalsContact O-CB 3.3Å; D421-S425 WeakPolarHBondContact O-CB 3.47Å; D421-S425 PolarHBondContact O-N 2.98Å; D421-S425 VanDerWaalsContact O-N 3.08Å; D421-S425 PolarHBondContact O-OG 3.18Å; L422-S425 WeakPolarHBondContact CA-OG 3.49Å; L422-S425 PolarHBondContact O-N 3.06Å; L422-S425 PolarHBondContact O-OG 3.02Å; S425-W427 VanDerWaalsContact C-N 3.31Å; S425-W427 PolarHBondContact O-N 3.24Å; S425-V428 PolarHBondContact O-N 2.89Å; S425-L429 VanDerWaalsContact O-CB 3.26Å; S425-L429 WeakPolarHBondContact O-CB 3.49Å; S425-L429 PolarHBondContact O-N 3.32Å; S425-T488 WeakPolarHBondContact CA-OG1 3.43Å; S425-T488 VanDerWaalsContact CB-OG1 3.27Å; S425-T488 WeakPolarHBondContact CB-OG1 3.25Å; S425-T488 PolarHBondContact O-OG1 2.92Å
426L86.8Confident85.8Confident50 Ų5038.3 Ų38.326%0.26220%0.199SC..Hα-helixtrans-63.8-35.3172.3-76.3171.6000112.3V394 L422 L429 G430 V491 F500V394-L426 HydrophobicContact CG1-CD1 4.16Å; L422-L426 HydrophobicContact CD1-CD1 4.07Å; L422-L426 HydrophobicContact CD1-CG 4.01Å; L422-L426 HydrophobicContact CG-CD1 3.89Å; L422-L426 HydrophobicContact CG-CG 4.29Å; L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.38Å; L422-L426 WeakPolarHBondContact O-CG 3.36Å; L422-L426 PolarHBondContact O-N 2.83Å; L426-L429 HydrophobicContact CD2-CD2 4.44Å; L426-L429 PolarHBondContact O-N 3.38Å; L426-G430 PolarHBondContact O-N 2.87Å; L426-V491 HydrophobicContact CD2-CG1 4.35Å; L426-F500 HydrophobicContact CD2-CE2 4.28Å; L426-F500 HydrophobicContact CD2-CZ 3.72Å
427W87.8Confident86.5Confident106 Ų10637.2 Ų37.240%0.40219%0.192SC..Hα-helixtrans-71-42.7176.4-165.485.6000111.9T423 A424 S425 L429 G430 I431 L468 P474T423-W427 PolarHBondContact O-N 3.4Å; A424-W427 PolarHBondContact O-N 3.49Å; S425-W427 VanDerWaalsContact C-N 3.31Å; S425-W427 PolarHBondContact O-N 3.24Å; W427-L429 VanDerWaalsContact C-N 3.33Å; W427-L429 PolarHBondContact O-N 3.25Å; W427-G430 PolarHBondContact O-N 2.99Å; W427-I431 HydrophobicContact CD2-CD1 4.31Å; W427-I431 HydrophobicContact CE3-CD1 3.75Å; W427-I431 HydrophobicContact CH2-CD1 3.56Å; W427-I431 HydrophobicContact CZ2-CD1 4.11Å; W427-I431 HydrophobicContact CZ3-CD1 3.37Å; W427-I431 PolarHBondContact O-N 2.94Å; W427-I431 VanDerWaalsContact O-N 3.17Å; W427-L468 HydrophobicContact CE3-CD2 4.17Å; W427-L468 HydrophobicContact CH2-CD2 4.26Å; W427-L468 HydrophobicContact CZ3-CD2 3.39Å; W427-P474 HydrophobicContact CD2-CG 3.69Å; W427-P474 HydrophobicContact CE3-CG 3.36Å; W427-P474 HydrophobicContact CG-CG 4.48Å; W427-P474 HydrophobicContact CH2-CG 3.6Å; W427-P474 HydrophobicContact CZ2-CG 3.94Å; W427-P474 HydrophobicContact CZ3-CG 3.29Å
428V89.8Confident86.9Confident0 Ų043.3 Ų43.30%022%0.215CC..Hα-helixtrans-62-39.3172176.90000111.3A424 S425 G430 I431 L432 V464 F476 V484 W485 T488A424-V428 WeakPolarHBondContact O-CG2 3.42Å; A424-V428 PolarHBondContact O-N 2.85Å; A424-V428 VanDerWaalsContact O-N 3.09Å; S425-V428 PolarHBondContact O-N 2.89Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 PolarHBondContact O-N 2.97Å; V428-I431 PolarHBondContact O-N 3.27Å; V428-L432 WeakPolarHBondContact O-CB 3.44Å; V428-L432 PolarHBondContact O-N 2.96Å; V428-V464 HydrophobicContact CG1-CG1 3.82Å; V428-F476 HydrophobicContact CG2-CE1 4.09Å; V428-F476 HydrophobicContact CG2-CZ 3.76Å; V428-V484 HydrophobicContact CB-CG1 4.49Å; V428-V484 HydrophobicContact CG2-CG1 3.84Å; V428-W485 HydrophobicContact CG1-CE3 4.07Å; V428-W485 HydrophobicContact CG1-CZ3 4.33Å; V428-T488 HydrophobicContact CB-CG2 4.47Å; V428-T488 HydrophobicContact CG1-CG2 4.17Å
429L88.8Confident87.3Confident1 Ų142.6 Ų42.61%0.00521%0.209CC..Hα-helixtrans-62.3-38174.2-169.862.6000112.3S425 L426 W427 L432 Y433 T488 V491 L492 F500 L502S425-L429 VanDerWaalsContact O-CB 3.26Å; S425-L429 WeakPolarHBondContact O-CB 3.49Å; S425-L429 PolarHBondContact O-N 3.32Å; L426-L429 HydrophobicContact CD2-CD2 4.44Å; L426-L429 PolarHBondContact O-N 3.38Å; W427-L429 VanDerWaalsContact C-N 3.33Å; W427-L429 PolarHBondContact O-N 3.25Å; L429-L432 HydrophobicContact CD1-CD2 4.39Å; L429-L432 PolarHBondContact O-N 3.4Å; L429-Y433 WeakPolarHBondContact O-CB 3.49Å; L429-Y433 PolarHBondContact O-N 2.65Å; L429-T488 HydrophobicContact CB-CG2 3.96Å; L429-T488 HydrophobicContact CD1-CG2 4.02Å; L429-V491 HydrophobicContact CD2-CG1 3.98Å; L429-L492 HydrophobicContact CD1-CB 4.44Å; L429-L492 HydrophobicContact CD1-CD1 4.25Å; L429-F500 HydrophobicContact CD2-CD1 4.16Å; L429-F500 HydrophobicContact CD2-CD2 3.65Å; L429-F500 HydrophobicContact CD2-CE1 4.21Å; L429-F500 HydrophobicContact CD2-CE2 3.69Å; L429-F500 HydrophobicContact CD2-CG 3.89Å; L429-F500 HydrophobicContact CD2-CZ 3.98Å; L429-L502 HydrophobicContact CD1-CD1 3.89Å
430G87.6Confident87.6Confident39 Ų3936.4 Ų36.440%0.40218%0.18SC..Hα-helixtrans-64-38.3174.600000113.1L426 W427 V428 D434L426-G430 PolarHBondContact O-N 2.87Å; W427-G430 PolarHBondContact O-N 2.99Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 PolarHBondContact O-N 2.97Å; G430-D434 PolarHBondContact O-N 3.13Å; G430-D434 VanDerWaalsContact O-N 3.14Å
431I89.2Confident87.7Confident8 Ų831.5 Ų31.54%0.04115%0.154CC..Hα-helixtrans-68.4-44.8172.7-72.8179.1000111.2W427 V428 Y433 D434 I435 V464 S467 L468 K471W427-I431 HydrophobicContact CD2-CD1 4.31Å; W427-I431 HydrophobicContact CE3-CD1 3.75Å; W427-I431 HydrophobicContact CH2-CD1 3.56Å; W427-I431 HydrophobicContact CZ2-CD1 4.11Å; W427-I431 HydrophobicContact CZ3-CD1 3.37Å; W427-I431 PolarHBondContact O-N 2.94Å; W427-I431 VanDerWaalsContact O-N 3.17Å; V428-I431 PolarHBondContact O-N 3.27Å; I431-Y433 VanDerWaalsContact C-N 3.28Å; I431-Y433 PolarHBondContact O-N 2.69Å; I431-D434 WeakPolarHBondContact O-CB 3.17Å; I431-D434 PolarHBondContact O-N 3.32Å; I431-I435 HydrophobicContact CG2-CD1 3.89Å; I431-I435 WeakPolarHBondContact O-CG1 3.48Å; I431-I435 PolarHBondContact O-N 3.22Å; I431-V464 HydrophobicContact CG2-CG1 4.43Å; I431-V464 HydrophobicContact CG2-CG2 4.36Å; I431-S467 WeakPolarHBondContact CG2-OG 3.36Å; I431-L468 HydrophobicContact CD1-CD2 3.75Å; I431-K471 HydrophobicContact CD1-CD 4.23Å
432L91Very high87.8Confident0 Ų034.9 Ų34.90%017%0.17CC..Hα-helixtrans-59.7-39.2176.3179.859.4000111.6V428 L429 I435 L436 A460 V464 W485 L524V428-L432 WeakPolarHBondContact O-CB 3.44Å; V428-L432 PolarHBondContact O-N 2.96Å; L429-L432 HydrophobicContact CD1-CD2 4.39Å; L429-L432 PolarHBondContact O-N 3.4Å; L432-I435 PolarHBondContact O-N 3.22Å; L432-L436 HydrophobicContact CD1-CD1 3.76Å; L432-L436 HydrophobicContact CD1-CG 3.93Å; L432-L436 HydrophobicContact CD2-CD1 4.48Å; L432-L436 HydrophobicContact CG-CD1 3.78Å; L432-L436 HydrophobicContact CG-CG 4.35Å; L432-L436 WeakPolarHBondContact O-CB 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.49Å; L432-L436 PolarHBondContact O-N 2.9Å; L432-A460 HydrophobicContact CD1-CB 4Å; L432-V464 HydrophobicContact CB-CG2 4.12Å; L432-V464 HydrophobicContact CD1-CG2 3.95Å; L432-W485 HydrophobicContact CD1-CH2 4.05Å; L432-W485 HydrophobicContact CD1-CZ3 4.44Å; L432-W485 HydrophobicContact CD2-CH2 4Å; L432-W485 HydrophobicContact CD2-CZ3 4.02Å; L432-L524 HydrophobicContact CD1-CD1 4.36Å; L432-L524 HydrophobicContact CD2-CD1 4.45Å
433Y90.2Very high87.8Confident69 Ų6937.4 Ų37.427%0.27118%0.18SC..Hα-helixtrans-63.2-44.2173.5177.8-87.2000112.5L429 I431 I435 S437 F500 L502L429-Y433 WeakPolarHBondContact O-CB 3.49Å; L429-Y433 PolarHBondContact O-N 2.65Å; I431-Y433 VanDerWaalsContact C-N 3.28Å; I431-Y433 PolarHBondContact O-N 2.69Å; Y433-I435 VanDerWaalsContact C-N 3.31Å; Y433-I435 PolarHBondContact O-N 3.46Å; Y433-S437 WeakPolarHBondContact O-CB 3.37Å; Y433-S437 PolarHBondContact O-N 3.11Å; Y433-S437 PolarHBondContact O-OG 3.41Å; Y433-F500 WeakPolarHBondContact CD2-O 3.15Å; Y433-F500 VanDerWaalsContact CE2-O 3.27Å; Y433-F500 WeakPolarHBondContact CE2-O 3.38Å; Y433-L502 HydrophobicContact CD2-CD1 4.38Å; Y433-L502 HydrophobicContact CD2-CD2 3.85Å; Y433-L502 HydrophobicContact CD2-CG 4.05Å
434D88.4Confident87.6Confident46 Ų4639.1 Ų39.125%0.24618%0.179CC..Hα-helixtrans-60.3-40.2176.4-173.529.6000111.4G430 I431 S437 R438 K471G430-D434 PolarHBondContact O-N 3.13Å; G430-D434 VanDerWaalsContact O-N 3.14Å; I431-D434 WeakPolarHBondContact O-CB 3.17Å; I431-D434 PolarHBondContact O-N 3.32Å; D434-S437 PolarHBondContact O-OG 2.85Å; D434-R438 VanDerWaalsContact CG-NH2 3.26Å; D434-R438 WeakPolarHBondContact O-CD 3.33Å; D434-R438 WeakPolarHBondContact O-CG 3.27Å; D434-R438 PolarHBondContact O-N 2.61Å; D434-R438 PolarHBondContact O-NE 2.82Å; D434-R438 IonicContact OD1-CZ 3.67Å; D434-R438 IonicContact OD1-NE 2.81Å; D434-R438 PolarHBondContact OD1-NE 3.49Å; D434-R438 IonicContact OD1-NH2 2.64Å; D434-R438 PolarHBondContact OD1-NH2 3.47Å; D434-R438 IonicContact OD2-CZ 2.78Å; D434-R438 IonicContact OD2-NE 3.81Å; D434-R438 IonicContact OD2-NH2 2.77Å; D434-R438 PolarHBondContact OD2-NH2 3.42Å; D434-K471 IonicContact OD2-NZ 3.34Å; D434-K471 PolarHBondContact OD2-NZ 3.04Å
435I89.8Confident87.4Confident32 Ų3239.8 Ų39.816%0.16418%0.183CC..Hα-helixtrans-69.8-54.7177-65.9164.7000111.5I431 L432 Y433 S437 R438 Y439 L455 L463 V464I431-I435 HydrophobicContact CG2-CD1 3.89Å; I431-I435 WeakPolarHBondContact O-CG1 3.48Å; I431-I435 PolarHBondContact O-N 3.22Å; L432-I435 PolarHBondContact O-N 3.22Å; Y433-I435 VanDerWaalsContact C-N 3.31Å; Y433-I435 PolarHBondContact O-N 3.46Å; I435-S437 PolarHBondContact O-N 3.3Å; I435-R438 PolarHBondContact O-N 3.39Å; I435-Y439 PolarHBondContact O-N 3.42Å; I435-L455 HydrophobicContact CG2-CD2 4.36Å; I435-L463 HydrophobicContact CD1-CB 4.33Å; I435-L463 HydrophobicContact CG2-CB 4.3Å; I435-L463 HydrophobicContact CG2-CD1 4.36Å; I435-V464 HydrophobicContact CD1-CG2 3.85Å
436L91Very high86.9Confident2 Ų248.8 Ų48.81%0.0122%0.222CC..Hα-helixtrans-64.5-37.4-176.5-70.2172.3000112.6L432 Y439 A440 L455 L502 L524 S526L432-L436 HydrophobicContact CD1-CD1 3.76Å; L432-L436 HydrophobicContact CD1-CG 3.93Å; L432-L436 HydrophobicContact CD2-CD1 4.48Å; L432-L436 HydrophobicContact CG-CD1 3.78Å; L432-L436 HydrophobicContact CG-CG 4.35Å; L432-L436 WeakPolarHBondContact O-CB 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.49Å; L432-L436 PolarHBondContact O-N 2.9Å; L436-Y439 PolarHBondContact O-N 3.23Å; L436-A440 WeakPolarHBondContact O-CB 3.49Å; L436-A440 PolarHBondContact O-N 2.8Å; L436-L455 HydrophobicContact CD2-CB 3.71Å; L436-L455 HydrophobicContact CD2-CD2 3.81Å; L436-L455 HydrophobicContact CD2-CG 4.38Å; L436-L502 HydrophobicContact CB-CD2 4.3Å; L436-L502 HydrophobicContact CD1-CD1 4.37Å; L436-L502 HydrophobicContact CD1-CD2 3.91Å; L436-L524 HydrophobicContact CD1-CB 4.03Å; L436-L524 HydrophobicContact CD2-CB 4.03Å; L436-S526 VanDerWaalsContact C-OG 3.31Å; L436-S526 PolarHBondContact O-OG 2.91Å
437S87.5Confident86.3Confident4 Ų450.4 Ų50.43%0.02823%0.234CC..Hα-helixtrans-68.9-35.5178.964.20000112.3Y433 D434 I435 G441 S526 K528 Y530Y433-S437 WeakPolarHBondContact O-CB 3.37Å; Y433-S437 PolarHBondContact O-N 3.11Å; Y433-S437 PolarHBondContact O-OG 3.41Å; D434-S437 PolarHBondContact O-OG 2.85Å; I435-S437 PolarHBondContact O-N 3.3Å; S437-G441 PolarHBondContact O-N 3.23Å; S437-S526 VanDerWaalsContact CA-OG 3.31Å; S437-S526 WeakPolarHBondContact CA-OG 2.75Å; S437-S526 PolarHBondContact N-OG 3.04Å; S437-K528 WeakPolarHBondContact CB-O 3.45Å; S437-Y530 PolarHBondContact O-N 2.97Å
438R86.5Confident85.6Confident131 Ų13148.1 Ų48.149%0.49424%0.244SC..Hα-helixtrans-66-48.2171-69.7170.6-163.5-142.98.6111.6D434 I435 A440 G441 E442 Y530D434-R438 VanDerWaalsContact CG-NH2 3.26Å; D434-R438 WeakPolarHBondContact O-CD 3.33Å; D434-R438 WeakPolarHBondContact O-CG 3.27Å; D434-R438 PolarHBondContact O-N 2.61Å; D434-R438 PolarHBondContact O-NE 2.82Å; D434-R438 IonicContact OD1-CZ 3.67Å; D434-R438 IonicContact OD1-NE 2.81Å; D434-R438 PolarHBondContact OD1-NE 3.49Å; D434-R438 IonicContact OD1-NH2 2.64Å; D434-R438 PolarHBondContact OD1-NH2 3.47Å; D434-R438 IonicContact OD2-CZ 2.78Å; D434-R438 IonicContact OD2-NE 3.81Å; D434-R438 IonicContact OD2-NH2 2.77Å; D434-R438 PolarHBondContact OD2-NH2 3.42Å; I435-R438 PolarHBondContact O-N 3.39Å; R438-A440 PolarHBondContact O-N 2.82Å; R438-G441 CarbonylContact O-C 3.06Å; R438-G441 VanDerWaalsContact O-CA 3.32Å; R438-G441 WeakPolarHBondContact O-CA 3.39Å; R438-G441 PolarHBondContact O-N 2.68Å; R438-E442 PolarHBondContact O-N 3.33Å; R438-Y530 HydrophobicContact CG-CD1 4.39Å
439Y87.6Confident85.1Confident63 Ų6355 Ų5525%0.24729%0.285CS..Hα-helixtrans-57.7-49.4-179.4-173.8-96.7000112.4I435 L436 G441 E442 F443 L450 R454 L455I435-Y439 PolarHBondContact O-N 3.42Å; L436-Y439 PolarHBondContact O-N 3.23Å; Y439-G441 VanDerWaalsContact C-N 3.28Å; Y439-G441 PolarHBondContact O-N 3.41Å; Y439-E442 PolarHBondContact O-N 2.79Å; Y439-F443 PolarHBondContact O-N 2.82Å; Y439-L450 HydrophobicContact CD1-CD2 4.39Å; Y439-L450 HydrophobicContact CD2-CD2 3.88Å; Y439-L450 HydrophobicContact CE1-CD2 4.13Å; Y439-L450 HydrophobicContact CE2-CD2 3.6Å; Y439-L450 HydrophobicContact CE2-CG 4.2Å; Y439-L450 HydrophobicContact CG-CD2 4.27Å; Y439-R454 WeakPolarHBondContact CE1-O 3.41Å; Y439-L455 HydrophobicContact CD1-CB 4.44Å; Y439-L455 HydrophobicContact CE1-CB 4.42Å; Y439-L455 HydrophobicContact CE2-CD1 4.42Å
440A86.4Confident84.7Confident0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-64.3-32.7173.900000112.3L436 R438 Y444 P453 S526 P529L436-A440 WeakPolarHBondContact O-CB 3.49Å; L436-A440 PolarHBondContact O-N 2.8Å; R438-A440 PolarHBondContact O-N 2.82Å; A440-Y444 WeakPolarHBondContact O-CD2 3.14Å; A440-Y444 PolarHBondContact O-N 3.3Å; A440-Y444 VanDerWaalsContact O-N 3.16Å; A440-P453 HydrophobicContact CB-CB 4.14Å; A440-S526 WeakPolarHBondContact CB-OG 3.48Å; A440-P529 HydrophobicContact CB-CB 3.89Å
441G84.6Confident84.2Confident1 Ų161.7 Ų61.71%0.0132%0.316CS..Hα-helixtrans-61.6-45.8173.100000113.4S437 R438 Y439 Y444 C445S437-G441 PolarHBondContact O-N 3.23Å; R438-G441 CarbonylContact O-C 3.06Å; R438-G441 VanDerWaalsContact O-CA 3.32Å; R438-G441 WeakPolarHBondContact O-CA 3.39Å; R438-G441 PolarHBondContact O-N 2.68Å; Y439-G441 VanDerWaalsContact C-N 3.28Å; Y439-G441 PolarHBondContact O-N 3.41Å; G441-Y444 PolarHBondContact O-N 3.15Å; G441-C445 VanDerWaalsContact O-CB 3.3Å; G441-C445 WeakPolarHBondContact O-CB 3.26Å; G441-C445 PolarHBondContact O-N 2.82Å; G441-C445 PolarHBondContact O-SG 3.3Å
442E84.8Confident83.9Confident92 Ų9262.9 Ų62.943%0.4333%0.326SS..Hα-helixtrans-64.3-44.2178.4-71.9179.416700111.9R438 Y439 C445 K446 V447 L450R438-E442 PolarHBondContact O-N 3.33Å; Y439-E442 PolarHBondContact O-N 2.79Å; E442-C445 CarbonylContact O-C 3.48Å; E442-C445 PolarHBondContact O-N 2.96Å; E442-K446 PolarHBondContact O-N 2.69Å; E442-V447 HydrophobicContact CB-CB 4.46Å; E442-V447 PolarHBondContact O-N 3.44Å; E442-L450 HydrophobicContact CB-CD2 4.37Å
443F84.8Confident83.5Confident60 Ų6063.7 Ų63.726%0.26333%0.331SS..Hα-helixtrans-53.3-56.1173.1173.1-100.3000112Y439 C445 K446 L450 P453Y439-F443 PolarHBondContact O-N 2.82Å; F443-C445 VanDerWaalsContact C-N 3.26Å; F443-C445 PolarHBondContact O-N 3.01Å; F443-K446 PolarHBondContact O-N 3.47Å; F443-K446 VanDerWaalsContact O-N 3.07Å; F443-L450 HydrophobicContact CB-CB 4.24Å; F443-L450 HydrophobicContact CB-CD2 4.11Å; F443-L450 HydrophobicContact CD2-CB 3.96Å; F443-L450 WeakPolarHBondContact CD2-O 3.43Å; F443-P453 HydrophobicContact CD1-CB 3.76Å; F443-P453 HydrophobicContact CD1-CG 4.26Å; F443-P453 HydrophobicContact CE1-CB 4.2Å; F443-P453 HydrophobicContact CE1-CG 4.19Å; F443-P453 HydrophobicContact CG-CB 4.23Å
444Y82.8Confident83.3Confident113 Ų11363.1 Ų63.144%0.44333%0.328SS..Hα-helixtrans-67.5-24.6-179.4-72.7-60.6000113.9A440 G441 K446 P529 F531A440-Y444 WeakPolarHBondContact O-CD2 3.14Å; A440-Y444 PolarHBondContact O-N 3.3Å; A440-Y444 VanDerWaalsContact O-N 3.16Å; G441-Y444 PolarHBondContact O-N 3.15Å; Y444-K446 VanDerWaalsContact C-N 3.31Å; Y444-P529 HydrophobicContact CD2-CB 3.88Å; Y444-P529 HydrophobicContact CD2-CG 3.74Å; Y444-P529 HydrophobicContact CE2-CB 4.19Å; Y444-P529 HydrophobicContact CE2-CG 3.78Å; Y444-F531 HydrophobicContact CD2-CE1 4.33Å; Y444-F531 HydrophobicContact CD2-CZ 4.4Å; Y444-F531 HydrophobicContact CG-CE1 4.27Å
445C81.7Confident83.3Confident18 Ų1861.5 Ų61.512%0.12232%0.32CS..Hα-helixtrans-84-3.9175.2-67.60000113.7G441 E442 F443 V447 C535G441-C445 VanDerWaalsContact O-CB 3.3Å; G441-C445 WeakPolarHBondContact O-CB 3.26Å; G441-C445 PolarHBondContact O-N 2.82Å; G441-C445 PolarHBondContact O-SG 3.3Å; E442-C445 CarbonylContact O-C 3.48Å; E442-C445 PolarHBondContact O-N 2.96Å; F443-C445 VanDerWaalsContact C-N 3.26Å; F443-C445 PolarHBondContact O-N 3.01Å; C445-V447 VanDerWaalsContact C-N 3.26Å; C445-V447 HydrophobicContact CB-CG2 3.9Å; C445-V447 PolarHBondContact O-N 2.99Å; C445-C535 VanDerWaalsContact CA-SG 3.6Å; C445-C535 HydrophobicContact CB-CB 3.84Å; C445-C535 WeakPolarHBondContact CB-SG 3.24Å; C445-C535 WeakPolarHBondContact SG-CB 3.45Å; C445-C535 CovalentContact SG-SG 2.03Å; C445-C535 PolarHBondContact SG-SG 3.14Å
446K78.8Confident83.2Confident190 Ų19063.1 Ų63.183%0.82633%0.329SS*.THydrogen-bonded Turntrans55.240-173.8-55.6-170177-168.10112.7E442 F443 Y444E442-K446 PolarHBondContact O-N 2.69Å; F443-K446 PolarHBondContact O-N 3.47Å; F443-K446 VanDerWaalsContact O-N 3.07Å; Y444-K446 VanDerWaalsContact C-N 3.31Å
447V73.7Confident83.2Confident83 Ų8364 Ų6450%0.50333%0.334SS..  trans-96.398.7174.6-177.80000107.5E442 C445E442-V447 HydrophobicContact CB-CB 4.46Å; E442-V447 PolarHBondContact O-N 3.44Å; C445-V447 VanDerWaalsContact C-N 3.26Å; C445-V447 HydrophobicContact CB-CG2 3.9Å; C445-V447 PolarHBondContact O-N 2.99Å
448G72.3Confident83.2Confident59 Ų5965.8 Ų65.861%0.60835%0.346SS*.SBendtrans94.8-177.8-175.200000114.2L450G448-L450 PolarHBondContact O-N 3.25Å
449V80Confident83.4Confident145 Ų14561.3 Ų61.388%0.87934%0.335SS*.  trans-102.244.8-171.8-161.50000111
450L79Confident83.6Confident44 Ų4458.3 Ų58.323%0.2332%0.324CS..  trans-76.2126.9178.5-75.568.9000109.5Y439 E442 F443 G448Y439-L450 HydrophobicContact CD1-CD2 4.39Å; Y439-L450 HydrophobicContact CD2-CD2 3.88Å; Y439-L450 HydrophobicContact CE1-CD2 4.13Å; Y439-L450 HydrophobicContact CE2-CD2 3.6Å; Y439-L450 HydrophobicContact CE2-CG 4.2Å; Y439-L450 HydrophobicContact CG-CD2 4.27Å; E442-L450 HydrophobicContact CB-CD2 4.37Å; F443-L450 HydrophobicContact CB-CB 4.24Å; F443-L450 HydrophobicContact CB-CD2 4.11Å; F443-L450 HydrophobicContact CD2-CB 3.96Å; F443-L450 WeakPolarHBondContact CD2-O 3.43Å; G448-L450 PolarHBondContact O-N 3.25Å
451T78.1Confident83.8Confident135 Ų13561.2 Ų61.283%0.82834%0.337SS*.SBendtrans-90-18.9-178.851.30000113.7
452S82.4Confident84.1Confident34 Ų3468.2 Ų68.224%0.23836%0.363CS..  trans-145.9159.9177.571.40000111.1R454S452-R454 PolarHBondContact O-N 3.21Å; S452-R454 PolarHBondContact OG-N 2.81Å; S452-R454 PolarHBondContact OG-O 2.83Å
453P83.9Confident84.4Confident17 Ų1767.7 Ų67.711%0.1136%0.363CS..SBendtrans-80.35.616934.9-35.9000112.8A440 F443 E525A440-P453 HydrophobicContact CB-CB 4.14Å; F443-P453 HydrophobicContact CD1-CB 3.76Å; F443-P453 HydrophobicContact CD1-CG 4.26Å; F443-P453 HydrophobicContact CE1-CB 4.2Å; F443-P453 HydrophobicContact CE1-CG 4.19Å; F443-P453 HydrophobicContact CG-CB 4.23Å; P453-E525 HydrophobicContact CG-CG 4.44Å; P453-E525 WeakPolarHBondContact CG-OE1 3.05Å
454R85Confident84.7Confident56 Ų5664.8 Ų64.821%0.21135%0.35CS..EExtended strand (participates in β ladder)trans-104143.2-170.7-59.4-171.3174.7176.6-9.1111.4Y439 S452 E523 L524 E525Y439-R454 WeakPolarHBondContact CE1-O 3.41Å; S452-R454 PolarHBondContact O-N 3.21Å; S452-R454 PolarHBondContact OG-N 2.81Å; S452-R454 PolarHBondContact OG-O 2.83Å; R454-E523 HydrophobicContact CB-CB 4.44Å; R454-E523 WeakPolarHBondContact CD-OE2 3.42Å; R454-E523 IonicContact CZ-OE2 3.65Å; R454-E523 IonicContact NE-OE2 3.71Å; R454-E523 IonicContact NH1-OE2 2.84Å; R454-E523 PolarHBondContact NH1-OE2 2.86Å; R454-L524 WeakPolarHBondContact CA-O 3.09Å; R454-E525 HydrophobicContact CG-CB 4.1Å; R454-E525 HydrophobicContact CG-CG 4.04Å; R454-E525 WeakPolarHBondContact CG-OE2 3.05Å; R454-E525 IonicContact CZ-OE2 2.73Å; R454-E525 IonicContact NE-OE2 3.41Å; R454-E525 PolarHBondContact NE-OE2 2.94Å; R454-E525 IonicContact NH2-OE2 3.5Å; R454-E525 PolarHBondContact NH2-OE2 3.27Å
455L87.6Confident85Confident13 Ų1361.6 Ų61.67%0.06834%0.339CS..EExtended strand (participates in β ladder)trans-119.3131.1179.8-174.662.2000109.4I435 L436 Y439 A460 L463 L524I435-L455 HydrophobicContact CG2-CD2 4.36Å; L436-L455 HydrophobicContact CD2-CB 3.71Å; L436-L455 HydrophobicContact CD2-CD2 3.81Å; L436-L455 HydrophobicContact CD2-CG 4.38Å; Y439-L455 HydrophobicContact CD1-CB 4.44Å; Y439-L455 HydrophobicContact CE1-CB 4.42Å; Y439-L455 HydrophobicContact CE2-CD1 4.42Å; L455-A460 HydrophobicContact CD2-CB 3.79Å; L455-A460 HydrophobicContact CG-CB 4.13Å; L455-L463 HydrophobicContact CD1-CD1 4.34Å; L455-L463 HydrophobicContact CD2-CD1 3.95Å; L455-L524 PolarHBondContact N-O 2.91Å; L455-L524 PolarHBondContact O-N 3.38Å
456D89Confident85.4Confident66 Ų6666 Ų6635%0.35336%0.358SS..EExtended strand (participates in β ladder)trans-60141.3173.2145.764.4000110.9S458 S459 A460 T522D456-S458 VanDerWaalsContact C-N 3.3Å; D456-S458 PolarHBondContact O-N 2.85Å; D456-S458 PolarHBondContact OD1-N 3.45Å; D456-S458 WeakPolarHBondContact OD2-CB 3.41Å; D456-S458 PolarHBondContact OD2-N 2.89Å; D456-S458 PolarHBondContact OD2-OG 2.83Å; D456-S459 WeakPolarHBondContact O-CB 3.48Å; D456-S459 PolarHBondContact O-N 3.28Å; D456-S459 VanDerWaalsContact O-N 3.07Å; D456-S459 WeakPolarHBondContact OD2-CB 3.38Å; D456-S459 PolarHBondContact OD2-N 3.34Å; D456-S459 PolarHBondContact OD2-OG 2.97Å; D456-A460 PolarHBondContact O-N 2.98Å; D456-T522 WeakPolarHBondContact CA-O 3.44Å
457V89.7Confident85.8Confident19 Ų1957.9 Ų57.912%0.11533%0.325CS..Hα-helixtrans-55.6-42.9179.8173.60000112S459 A460 E461 W485 L489 I521 T522 L524V457-S459 PolarHBondContact O-N 2.96Å; V457-A460 PolarHBondContact O-N 2.77Å; V457-E461 WeakPolarHBondContact O-CB 3.48Å; V457-E461 PolarHBondContact O-N 3.12Å; V457-W485 HydrophobicContact CG1-CZ2 4.3Å; V457-L489 HydrophobicContact CG1-CD1 4.3Å; V457-I521 HydrophobicContact CG2-CB 4.16Å; V457-I521 HydrophobicContact CG2-CG2 3.54Å; V457-T522 PolarHBondContact N-O 3.15Å; V457-L524 HydrophobicContact CG2-CD1 4.01Å; V457-L524 HydrophobicContact CG2-CD2 4.34Å; V457-L524 HydrophobicContact CG2-CG 3.82Å
458S88.9Confident86.4Confident42 Ų4253.9 Ų53.929%0.29430%0.301SS..Hα-helixtrans-67.3-29.5-17988.60000112.2D456 R462D456-S458 VanDerWaalsContact C-N 3.3Å; D456-S458 PolarHBondContact O-N 2.85Å; D456-S458 PolarHBondContact OD1-N 3.45Å; D456-S458 WeakPolarHBondContact OD2-CB 3.41Å; D456-S458 PolarHBondContact OD2-N 2.89Å; D456-S458 PolarHBondContact OD2-OG 2.83Å; S458-R462 WeakPolarHBondContact O-CG 3.33Å; S458-R462 VanDerWaalsContact O-CZ 3.31Å; S458-R462 PolarHBondContact O-N 2.97Å; S458-R462 PolarHBondContact O-NH1 3.07Å; S458-R462 PolarHBondContact OG-NH1 2.97Å; S458-R462 PolarHBondContact OG-NH2 2.78Å
459S90.9Very high87.1Confident38 Ų3855.9 Ų55.927%0.26629%0.294SS..Hα-helixtrans-79.4-37.5177-57.80000111.5D456 V457 R462 L463D456-S459 WeakPolarHBondContact O-CB 3.48Å; D456-S459 PolarHBondContact O-N 3.28Å; D456-S459 VanDerWaalsContact O-N 3.07Å; D456-S459 WeakPolarHBondContact OD2-CB 3.38Å; D456-S459 PolarHBondContact OD2-N 3.34Å; D456-S459 PolarHBondContact OD2-OG 2.97Å; V457-S459 PolarHBondContact O-N 2.96Å; S459-R462 PolarHBondContact OG-NH1 3.37Å; S459-L463 WeakPolarHBondContact O-CB 3.49Å; S459-L463 WeakPolarHBondContact O-CG 3.39Å; S459-L463 PolarHBondContact O-N 3.06Å; S459-L463 VanDerWaalsContact O-N 3.07Å
460A90.5Very high87.3Confident0 Ų056 Ų560%029%0.287CS..Hα-helixtrans-64-43.5171.500000111.9L432 L455 D456 V457 R462 L463 V464 W485 L524L432-A460 HydrophobicContact CD1-CB 4Å; L455-A460 HydrophobicContact CD2-CB 3.79Å; L455-A460 HydrophobicContact CG-CB 4.13Å; D456-A460 PolarHBondContact O-N 2.98Å; V457-A460 PolarHBondContact O-N 2.77Å; A460-R462 PolarHBondContact O-N 2.87Å; A460-L463 PolarHBondContact O-N 2.98Å; A460-V464 WeakPolarHBondContact O-CB 3.5Å; A460-V464 VanDerWaalsContact O-CG2 3.3Å; A460-V464 WeakPolarHBondContact O-CG2 3.28Å; A460-V464 PolarHBondContact O-N 3.37Å; A460-W485 HydrophobicContact CB-CH2 4.24Å; A460-W485 HydrophobicContact CB-CZ2 4.48Å; A460-L524 HydrophobicContact CB-CD1 3.66Å
461E90.8Very high87.5Confident61 Ų6159.7 Ų59.729%0.28530%0.301SS..Hα-helixtrans-57.3-49.7176.6-172.6175.7169.500111.4V457 L463 V464 E465 F481 W485V457-E461 WeakPolarHBondContact O-CB 3.48Å; V457-E461 PolarHBondContact O-N 3.12Å; E461-L463 PolarHBondContact O-N 3.44Å; E461-V464 PolarHBondContact O-N 2.77Å; E461-E465 WeakPolarHBondContact O-CB 3.4Å; E461-E465 PolarHBondContact O-N 2.78Å; E461-F481 HydrophobicContact CG-CE1 3.93Å; E461-F481 HydrophobicContact CG-CZ 4.26Å; E461-W485 HydrophobicContact CB-CD2 4.46Å; E461-W485 HydrophobicContact CB-CH2 4.41Å; E461-W485 HydrophobicContact CB-CZ2 3.61Å; E461-W485 HydrophobicContact CG-CD2 4.18Å; E461-W485 HydrophobicContact CG-CG 4.25Å; E461-W485 HydrophobicContact CG-CZ2 4.23Å; E461-W485 PolarHBondContact OE2-NE1 3.36Å
462R90.8Very high87.7Confident148 Ų14854.9 Ų54.956%0.55828%0.278SS*.Hα-helixtrans-62-41.3176.6-68.4177.8-146.9106.511.3112.9S458 S459 A460 E465 H466S458-R462 WeakPolarHBondContact O-CG 3.33Å; S458-R462 VanDerWaalsContact O-CZ 3.31Å; S458-R462 PolarHBondContact O-N 2.97Å; S458-R462 PolarHBondContact O-NH1 3.07Å; S458-R462 PolarHBondContact OG-NH1 2.97Å; S458-R462 PolarHBondContact OG-NH2 2.78Å; S459-R462 PolarHBondContact OG-NH1 3.37Å; A460-R462 PolarHBondContact O-N 2.87Å; R462-E465 PolarHBondContact O-N 3.21Å; R462-H466 VanDerWaalsContact O-CB 3.31Å; R462-H466 WeakPolarHBondContact O-CB 3.28Å; R462-H466 PolarHBondContact O-N 2.92Å
463L90.8Very high87.6Confident80 Ų8056.9 Ų56.942%0.41928%0.281SS..Hα-helixtrans-68.2-38.4179-77.7166.4000111.9I435 L455 S459 A460 E461 S467I435-L463 HydrophobicContact CD1-CB 4.33Å; I435-L463 HydrophobicContact CG2-CB 4.3Å; I435-L463 HydrophobicContact CG2-CD1 4.36Å; L455-L463 HydrophobicContact CD1-CD1 4.34Å; L455-L463 HydrophobicContact CD2-CD1 3.95Å; S459-L463 WeakPolarHBondContact O-CB 3.49Å; S459-L463 WeakPolarHBondContact O-CG 3.39Å; S459-L463 PolarHBondContact O-N 3.06Å; S459-L463 VanDerWaalsContact O-N 3.07Å; A460-L463 PolarHBondContact O-N 2.98Å; E461-L463 PolarHBondContact O-N 3.44Å; L463-S467 WeakPolarHBondContact O-CB 3.44Å; L463-S467 PolarHBondContact O-N 3.1Å; L463-S467 PolarHBondContact O-OG 2.93Å
464V91.3Very high86.9Confident0 Ų058 Ų580%029%0.288CS..Hα-helixtrans-62.3-53.7170.51680000109.5V428 I431 L432 I435 A460 E461 H466 S467 L468 F481 W485V428-V464 HydrophobicContact CG1-CG1 3.82Å; I431-V464 HydrophobicContact CG2-CG1 4.43Å; I431-V464 HydrophobicContact CG2-CG2 4.36Å; L432-V464 HydrophobicContact CB-CG2 4.12Å; L432-V464 HydrophobicContact CD1-CG2 3.95Å; I435-V464 HydrophobicContact CD1-CG2 3.85Å; A460-V464 WeakPolarHBondContact O-CB 3.5Å; A460-V464 VanDerWaalsContact O-CG2 3.3Å; A460-V464 WeakPolarHBondContact O-CG2 3.28Å; A460-V464 PolarHBondContact O-N 3.37Å; E461-V464 PolarHBondContact O-N 2.77Å; V464-H466 VanDerWaalsContact C-N 3.34Å; V464-H466 PolarHBondContact O-N 2.64Å; V464-S467 CarbonylContact O-C 3.55Å; V464-S467 WeakPolarHBondContact O-CA 3.31Å; V464-S467 PolarHBondContact O-N 3.41Å; V464-S467 PolarHBondContact O-OG 3.21Å; V464-L468 HydrophobicContact CG1-CD1 4.02Å; V464-L468 HydrophobicContact CG1-CG 4.28Å; V464-L468 WeakPolarHBondContact O-CG 3.33Å; V464-L468 PolarHBondContact O-N 2.92Å; V464-F481 HydrophobicContact CG1-CE2 4.02Å; V464-F481 HydrophobicContact CG1-CZ 4.03Å; V464-W485 HydrophobicContact CB-CZ3 4.26Å; V464-W485 HydrophobicContact CG1-CZ3 4.26Å; V464-W485 HydrophobicContact CG2-CH2 4.27Å; V464-W485 HydrophobicContact CG2-CZ3 3.96Å
465E89.8Confident86.2Confident46 Ų4661.6 Ų61.622%0.21532%0.316CS..Hα-helixtrans-57.6-43.9-179.1-154.3-143.3139.300112.6E461 R462 S467 L468 Q469 W473 K478 F481E461-E465 WeakPolarHBondContact O-CB 3.4Å; E461-E465 PolarHBondContact O-N 2.78Å; R462-E465 PolarHBondContact O-N 3.21Å; E465-S467 VanDerWaalsContact C-N 3.34Å; E465-S467 PolarHBondContact O-N 3.34Å; E465-L468 WeakPolarHBondContact O-CB 2.97Å; E465-L468 PolarHBondContact O-N 3.36Å; E465-Q469 WeakPolarHBondContact O-CG 3.49Å; E465-Q469 PolarHBondContact O-N 3.32Å; E465-Q469 PolarHBondContact OE1-NE2 2.95Å; E465-W473 HydrophobicContact CG-CH2 3.8Å; E465-W473 HydrophobicContact CG-CZ2 4.13Å; E465-K478 WeakPolarHBondContact OE1-CE 3.38Å; E465-K478 IonicContact OE1-NZ 2.62Å; E465-K478 PolarHBondContact OE1-NZ 3.3Å; E465-F481 HydrophobicContact CB-CE1 3.94Å; E465-F481 HydrophobicContact CB-CZ 4.19Å; E465-F481 HydrophobicContact CG-CD1 4.06Å; E465-F481 HydrophobicContact CG-CE1 3.89Å; E465-F481 HydrophobicContact CG-CZ 4.43Å
466H90Very high85.6Confident111 Ų11162.2 Ų62.251%0.51432%0.318SS..Hα-helixtrans-60.8-41.8173.6177.4-99000111.9R462 V464 L468 Q469 M470R462-H466 VanDerWaalsContact O-CB 3.31Å; R462-H466 WeakPolarHBondContact O-CB 3.28Å; R462-H466 PolarHBondContact O-N 2.92Å; V464-H466 VanDerWaalsContact C-N 3.34Å; V464-H466 PolarHBondContact O-N 2.64Å; H466-L468 VanDerWaalsContact C-N 3.33Å; H466-L468 PolarHBondContact O-N 3.25Å; H466-Q469 PolarHBondContact O-N 3.43Å; H466-M470 WeakPolarHBondContact O-CG 3.28Å; H466-M470 PolarHBondContact O-N 3.14Å
467S87.3Confident85Confident18 Ų1861.3 Ų61.313%0.12632%0.317CS..Hα-helixtrans-69.3-27.9176.1790000113.5I431 L463 V464 E465 M470 K471I431-S467 WeakPolarHBondContact CG2-OG 3.36Å; L463-S467 WeakPolarHBondContact O-CB 3.44Å; L463-S467 PolarHBondContact O-N 3.1Å; L463-S467 PolarHBondContact O-OG 2.93Å; V464-S467 CarbonylContact O-C 3.55Å; V464-S467 WeakPolarHBondContact O-CA 3.31Å; V464-S467 PolarHBondContact O-N 3.41Å; V464-S467 PolarHBondContact O-OG 3.21Å; E465-S467 VanDerWaalsContact C-N 3.34Å; E465-S467 PolarHBondContact O-N 3.34Å; S467-M470 PolarHBondContact O-N 2.87Å; S467-K471 VanDerWaalsContact O-CB 3.27Å; S467-K471 WeakPolarHBondContact O-CB 3.47Å; S467-K471 WeakPolarHBondContact O-CG 3.32Å; S467-K471 PolarHBondContact O-N 2.98Å
468L87.2Confident84.4Confident0 Ų066.2 Ų66.20%034%0.337CS..Hα-helixtrans-69.4-42.9171.4-65.6174.5000111.1W427 I431 V464 E465 H466 M470 G472 W473 F481W427-L468 HydrophobicContact CE3-CD2 4.17Å; W427-L468 HydrophobicContact CH2-CD2 4.26Å; W427-L468 HydrophobicContact CZ3-CD2 3.39Å; I431-L468 HydrophobicContact CD1-CD2 3.75Å; V464-L468 HydrophobicContact CG1-CD1 4.02Å; V464-L468 HydrophobicContact CG1-CG 4.28Å; V464-L468 WeakPolarHBondContact O-CG 3.33Å; V464-L468 PolarHBondContact O-N 2.92Å; E465-L468 WeakPolarHBondContact O-CB 2.97Å; E465-L468 PolarHBondContact O-N 3.36Å; H466-L468 VanDerWaalsContact C-N 3.33Å; H466-L468 PolarHBondContact O-N 3.25Å; L468-M470 VanDerWaalsContact C-N 3.26Å; L468-M470 PolarHBondContact O-N 3.49Å; L468-G472 CarbonylContact O-C 3.52Å; L468-G472 VanDerWaalsContact O-C 3.24Å; L468-G472 VanDerWaalsContact O-CA 3.3Å; L468-G472 WeakPolarHBondContact O-CA 3.26Å; L468-G472 PolarHBondContact O-N 2.98Å; L468-W473 HydrophobicContact CB-CD2 4.16Å; L468-W473 HydrophobicContact CB-CE3 4.25Å; L468-W473 HydrophobicContact CB-CH2 4.14Å; L468-W473 HydrophobicContact CB-CZ2 4.04Å; L468-W473 HydrophobicContact CB-CZ3 4.22Å; L468-W473 HydrophobicContact CD1-CE3 4.08Å; L468-W473 HydrophobicContact CD1-CH2 3.9Å; L468-W473 HydrophobicContact CD1-CZ3 3.57Å; L468-W473 HydrophobicContact CG-CZ3 4.49Å; L468-F481 HydrophobicContact CD1-CD2 3.64Å; L468-F481 HydrophobicContact CD1-CE2 3.4Å; L468-F481 VanDerWaalsContact CD1-CE2 3.4Å; L468-F481 HydrophobicContact CD1-CZ 4.21Å
469Q87Confident83.8Confident101 Ų10170.5 Ų70.547%0.47236%0.362SS..Hα-helixtrans-60.3-35.9172.9-66.4173.42500111.9E465 H466 W473E465-Q469 WeakPolarHBondContact O-CG 3.49Å; E465-Q469 PolarHBondContact O-N 3.32Å; E465-Q469 PolarHBondContact OE1-NE2 2.95Å; H466-Q469 PolarHBondContact O-N 3.43Å; Q469-W473 HydrophobicContact CG-CZ2 4.14Å
470M83.8Confident83.4Confident146 Ų14671.9 Ų71.972%0.71937%0.366SS*.Hα-helixtrans-83.7-31.8179.5-69.4-62.7-62.800115.1H466 S467 L468H466-M470 WeakPolarHBondContact O-CG 3.28Å; H466-M470 PolarHBondContact O-N 3.14Å; S467-M470 PolarHBondContact O-N 2.87Å; L468-M470 VanDerWaalsContact C-N 3.26Å; L468-M470 PolarHBondContact O-N 3.49Å
471K83Confident83.2Confident122 Ų12272.4 Ų72.453%0.5337%0.368SS..Hα-helixtrans-93.3-15.7179.1-70.3178.1177.5174.80113.5I431 D434 S467I431-K471 HydrophobicContact CD1-CD 4.23Å; D434-K471 IonicContact OD2-NZ 3.34Å; D434-K471 PolarHBondContact OD2-NZ 3.04Å; S467-K471 VanDerWaalsContact O-CB 3.27Å; S467-K471 WeakPolarHBondContact O-CB 3.47Å; S467-K471 WeakPolarHBondContact O-CG 3.32Å; S467-K471 PolarHBondContact O-N 2.98Å
472G81.8Confident83Confident34 Ų3478.3 Ų78.335%0.35139%0.388SS..  trans94.2152.2-170.100000112.8L468 P474L468-G472 CarbonylContact O-C 3.52Å; L468-G472 VanDerWaalsContact O-C 3.24Å; L468-G472 VanDerWaalsContact O-CA 3.3Å; L468-G472 WeakPolarHBondContact O-CA 3.26Å; L468-G472 PolarHBondContact O-N 2.98Å; G472-P474 WeakPolarHBondContact O-CD 3.28Å
473W79.5Confident82.8Confident77 Ų7776.7 Ų76.729%0.29238%0.382SS..  trans-94.2115.8177.9-61.782000110.1E465 L468 Q469 F476 K478 F481E465-W473 HydrophobicContact CG-CH2 3.8Å; E465-W473 HydrophobicContact CG-CZ2 4.13Å; L468-W473 HydrophobicContact CB-CD2 4.16Å; L468-W473 HydrophobicContact CB-CE3 4.25Å; L468-W473 HydrophobicContact CB-CH2 4.14Å; L468-W473 HydrophobicContact CB-CZ2 4.04Å; L468-W473 HydrophobicContact CB-CZ3 4.22Å; L468-W473 HydrophobicContact CD1-CE3 4.08Å; L468-W473 HydrophobicContact CD1-CH2 3.9Å; L468-W473 HydrophobicContact CD1-CZ3 3.57Å; L468-W473 HydrophobicContact CG-CZ3 4.49Å; Q469-W473 HydrophobicContact CG-CZ2 4.14Å; W473-F476 HydrophobicContact CE3-CD2 4.47Å; W473-F476 AromaticContact CE3-CE2 3.82Å; W473-F476 HydrophobicContact CE3-CE2 3.82Å; W473-F476 HydrophobicContact CE3-CZ 4.33Å; W473-F476 AromaticContact CZ3-CE2 3.89Å; W473-F476 HydrophobicContact CZ3-CE2 3.89Å; W473-K478 HydrophobicContact CD2-CB 4.45Å; W473-K478 HydrophobicContact CH2-CB 4.14Å; W473-K478 HydrophobicContact CH2-CD 4.32Å; W473-K478 HydrophobicContact CH2-CG 3.91Å; W473-K478 HydrophobicContact CZ2-CB 4.03Å; W473-K478 HydrophobicContact CZ2-CD 3.84Å; W473-K478 HydrophobicContact CZ2-CG 3.87Å; W473-K478 HydrophobicContact CZ3-CB 4.39Å; W473-F481 HydrophobicContact CH2-CB 4.08Å; W473-F481 HydrophobicContact CH2-CD2 4.26Å; W473-F481 HydrophobicContact CH2-CG 4.02Å; W473-F481 HydrophobicContact CZ3-CB 3.74Å; W473-F481 AromaticContact CZ3-CD2 3.83Å; W473-F481 HydrophobicContact CZ3-CD2 3.83Å; W473-F481 AromaticContact CZ3-CG 3.86Å; W473-F481 HydrophobicContact CZ3-CG 3.86Å
474P70.5Confident82.6Confident39 Ų3973 Ų7325%0.25336%0.363SS..  trans-92.2149.9172.336-32.8000111.4W427 G472 F476W427-P474 HydrophobicContact CD2-CG 3.69Å; W427-P474 HydrophobicContact CE3-CG 3.36Å; W427-P474 HydrophobicContact CG-CG 4.48Å; W427-P474 HydrophobicContact CH2-CG 3.6Å; W427-P474 HydrophobicContact CZ2-CG 3.94Å; W427-P474 HydrophobicContact CZ3-CG 3.29Å; G472-P474 WeakPolarHBondContact O-CD 3.28Å; P474-F476 WeakPolarHBondContact O-CD1 3.48Å; P474-F476 WeakPolarHBondContact O-CE1 3.38Å; P474-F476 PolarHBondContact O-N 3.38Å
475T69.3Low82.5Confident132 Ų13273.2 Ų73.281%0.8136%0.364SS*.SBendtrans52.8-28.2168.552.70000120.1
476F75.5Confident82.3Confident26 Ų2673.9 Ų73.911%0.11437%0.369CS..SBendtrans-126156.3-17965.1-87.6000111.4A424 V428 W473 P474 D480 F481 V484A424-F476 HydrophobicContact CB-CD1 3.67Å; A424-F476 HydrophobicContact CB-CE1 4.04Å; V428-F476 HydrophobicContact CG2-CE1 4.09Å; V428-F476 HydrophobicContact CG2-CZ 3.76Å; W473-F476 HydrophobicContact CE3-CD2 4.47Å; W473-F476 AromaticContact CE3-CE2 3.82Å; W473-F476 HydrophobicContact CE3-CE2 3.82Å; W473-F476 HydrophobicContact CE3-CZ 4.33Å; W473-F476 AromaticContact CZ3-CE2 3.89Å; W473-F476 HydrophobicContact CZ3-CE2 3.89Å; P474-F476 WeakPolarHBondContact O-CD1 3.48Å; P474-F476 WeakPolarHBondContact O-CE1 3.38Å; P474-F476 PolarHBondContact O-N 3.38Å; F476-D480 HydrophobicContact CB-CB 4.22Å; F476-D480 HydrophobicContact CD2-CB 4.31Å; F476-F481 HydrophobicContact CE2-CB 4.39Å; F476-F481 HydrophobicContact CE2-CD2 4.16Å; F476-V484 HydrophobicContact CB-CG2 4.33Å; F476-V484 HydrophobicContact CD1-CG2 4.22Å; F476-V484 HydrophobicContact CD2-CB 4.42Å; F476-V484 HydrophobicContact CD2-CG2 3.78Å; F476-V484 HydrophobicContact CE1-CG1 4.14Å; F476-V484 HydrophobicContact CE1-CG2 4.5Å; F476-V484 HydrophobicContact CE2-CB 4.23Å; F476-V484 HydrophobicContact CE2-CG1 4.41Å; F476-V484 HydrophobicContact CE2-CG2 4.09Å; F476-V484 HydrophobicContact CG-CG2 3.86Å; F476-V484 HydrophobicContact CZ-CB 4.39Å; F476-V484 HydrophobicContact CZ-CG1 4.07Å; F476-V484 HydrophobicContact CZ-CG2 4.44Å
477S76Confident82.2Confident47 Ų4768.9 Ų68.933%0.32935%0.346SS..  trans-83.1160.5-178.676.40000111.9T479 D480 F481S477-T479 PolarHBondContact O-N 3.22Å; S477-T479 VanDerWaalsContact O-N 3.16Å; S477-T479 PolarHBondContact OG-N 2.78Å; S477-T479 PolarHBondContact OG-OG1 3.46Å; S477-D480 VanDerWaalsContact CB-OD2 3.29Å; S477-D480 WeakPolarHBondContact CB-OD2 3.5Å; S477-D480 PolarHBondContact N-OD2 3.25Å; S477-D480 PolarHBondContact O-N 2.92Å; S477-D480 VanDerWaalsContact OG-CG 3.24Å; S477-D480 PolarHBondContact OG-N 3.03Å; S477-D480 PolarHBondContact OG-OD2 3.38Å; S477-F481 PolarHBondContact O-N 3.18Å
478K77.8Confident82.2Confident122 Ų12268 Ų6853%0.5334%0.34SS..G310 helixtrans-56.6-30.8171.9175.5165.1172.8161.10112.3E465 W473 D480 F481E465-K478 WeakPolarHBondContact OE1-CE 3.38Å; E465-K478 IonicContact OE1-NZ 2.62Å; E465-K478 PolarHBondContact OE1-NZ 3.3Å; W473-K478 HydrophobicContact CD2-CB 4.45Å; W473-K478 HydrophobicContact CH2-CB 4.14Å; W473-K478 HydrophobicContact CH2-CD 4.32Å; W473-K478 HydrophobicContact CH2-CG 3.91Å; W473-K478 HydrophobicContact CZ2-CB 4.03Å; W473-K478 HydrophobicContact CZ2-CD 3.84Å; W473-K478 HydrophobicContact CZ2-CG 3.87Å; W473-K478 HydrophobicContact CZ3-CB 4.39Å; K478-D480 VanDerWaalsContact C-N 3.29Å; K478-D480 PolarHBondContact O-N 2.84Å; K478-F481 WeakPolarHBondContact O-CB 3.43Å; K478-F481 PolarHBondContact O-N 2.81Å
479T76.6Confident82.3Confident132 Ų13268.4 Ų68.481%0.8134%0.342SS*.G310 helixtrans-66.9-26.1174.624.70000113.7S477S477-T479 PolarHBondContact O-N 3.22Å; S477-T479 VanDerWaalsContact O-N 3.16Å; S477-T479 PolarHBondContact OG-N 2.78Å; S477-T479 PolarHBondContact OG-OG1 3.46Å
480D81.9Confident82.2Confident67 Ų6765.2 Ų65.236%0.35833%0.326SS..G310 helixtrans-85.1-13.2177.4-55.2-56.3000113.2F476 S477 K478 R482 R483 V484F476-D480 HydrophobicContact CB-CB 4.22Å; F476-D480 HydrophobicContact CD2-CB 4.31Å; S477-D480 VanDerWaalsContact CB-OD2 3.29Å; S477-D480 WeakPolarHBondContact CB-OD2 3.5Å; S477-D480 PolarHBondContact N-OD2 3.25Å; S477-D480 PolarHBondContact O-N 2.92Å; S477-D480 VanDerWaalsContact OG-CG 3.24Å; S477-D480 PolarHBondContact OG-N 3.03Å; S477-D480 PolarHBondContact OG-OD2 3.38Å; K478-D480 VanDerWaalsContact C-N 3.29Å; K478-D480 PolarHBondContact O-N 2.84Å; D480-R482 VanDerWaalsContact C-N 3.26Å; D480-R482 PolarHBondContact O-N 3.11Å; D480-R482 VanDerWaalsContact O-N 3.09Å; D480-R483 WeakPolarHBondContact O-CB 3.45Å; D480-R483 PolarHBondContact O-N 2.94Å; D480-V484 PolarHBondContact O-N 3.18Å; D480-V484 VanDerWaalsContact O-N 3.1Å
481F86.8Confident82.2Confident11 Ų1158.3 Ų58.35%0.04829%0.291CS..Hα-helixtrans-49-44.7-171.3176.9-120.8000113.4E461 V464 E465 L468 W473 F476 S477 K478 R483 V484 W485E461-F481 HydrophobicContact CG-CE1 3.93Å; E461-F481 HydrophobicContact CG-CZ 4.26Å; V464-F481 HydrophobicContact CG1-CE2 4.02Å; V464-F481 HydrophobicContact CG1-CZ 4.03Å; E465-F481 HydrophobicContact CB-CE1 3.94Å; E465-F481 HydrophobicContact CB-CZ 4.19Å; E465-F481 HydrophobicContact CG-CD1 4.06Å; E465-F481 HydrophobicContact CG-CE1 3.89Å; E465-F481 HydrophobicContact CG-CZ 4.43Å; L468-F481 HydrophobicContact CD1-CD2 3.64Å; L468-F481 HydrophobicContact CD1-CE2 3.4Å; L468-F481 VanDerWaalsContact CD1-CE2 3.4Å; L468-F481 HydrophobicContact CD1-CZ 4.21Å; W473-F481 HydrophobicContact CH2-CB 4.08Å; W473-F481 HydrophobicContact CH2-CD2 4.26Å; W473-F481 HydrophobicContact CH2-CG 4.02Å; W473-F481 HydrophobicContact CZ3-CB 3.74Å; W473-F481 AromaticContact CZ3-CD2 3.83Å; W473-F481 HydrophobicContact CZ3-CD2 3.83Å; W473-F481 AromaticContact CZ3-CG 3.86Å; W473-F481 HydrophobicContact CZ3-CG 3.86Å; F476-F481 HydrophobicContact CE2-CB 4.39Å; F476-F481 HydrophobicContact CE2-CD2 4.16Å; S477-F481 PolarHBondContact O-N 3.18Å; K478-F481 WeakPolarHBondContact O-CB 3.43Å; K478-F481 PolarHBondContact O-N 2.81Å; F481-R483 VanDerWaalsContact C-N 3.33Å; F481-R483 PolarHBondContact O-N 3.13Å; F481-V484 CarbonylContact O-C 3.55Å; F481-V484 PolarHBondContact O-N 2.87Å; F481-V484 VanDerWaalsContact O-N 3.14Å; F481-W485 HydrophobicContact CZ-CB 4.44Å; F481-W485 HydrophobicContact CZ-CE3 4.43Å; F481-W485 WeakPolarHBondContact O-CB 3.37Å; F481-W485 PolarHBondContact O-N 2.87Å
482R86.9Confident82.4Confident185 Ų18552.7 Ų52.770%0.69827%0.267SS*.Hα-helixtrans-62.6-37.3-178.8-169.9175.8-178.5174.33.4112.8D480 W485 D486D480-R482 VanDerWaalsContact C-N 3.26Å; D480-R482 PolarHBondContact O-N 3.11Å; D480-R482 VanDerWaalsContact O-N 3.09Å; R482-W485 PolarHBondContact O-N 3.43Å; R482-D486 PolarHBondContact O-N 2.93Å
483R85.2Confident82.5Confident114 Ų11451.6 Ų51.643%0.4325%0.253SS..Hα-helixtrans-68.2-42.6173.8171.8-179.1164.4-171.3-6.5110.8Y405 D421 D480 F481 W485 D486 N487Y405-R483 PolarHBondContact OH-NH2 3.46Å; D421-R483 IonicContact OD1-CZ 3.57Å; D421-R483 IonicContact OD1-NE 2.94Å; D421-R483 IonicContact OD1-NH2 2.8Å; D421-R483 PolarHBondContact OD1-NH2 3.08Å; D421-R483 IonicContact OD2-CZ 3.44Å; D421-R483 IonicContact OD2-NE 3.21Å; D421-R483 PolarHBondContact OD2-NE 2.95Å; D421-R483 IonicContact OD2-NH2 3.73Å; D421-R483 PolarHBondContact OD2-NH2 3.07Å; D480-R483 WeakPolarHBondContact O-CB 3.45Å; D480-R483 PolarHBondContact O-N 2.94Å; F481-R483 VanDerWaalsContact C-N 3.33Å; F481-R483 PolarHBondContact O-N 3.13Å; R483-W485 VanDerWaalsContact C-N 3.29Å; R483-W485 PolarHBondContact O-N 3Å; R483-D486 PolarHBondContact O-N 3.26Å; R483-N487 WeakPolarHBondContact O-CB 3.19Å; R483-N487 VanDerWaalsContact O-CG 3.29Å; R483-N487 PolarHBondContact O-N 3.18Å
484V86.5Confident82.5Confident4 Ų451.2 Ų51.22%0.02426%0.255CS..Hα-helixtrans-65.2-35.1176.4-177.80000111A424 V428 F476 D480 F481 N487 T488A424-V484 HydrophobicContact CB-CG1 3.91Å; A424-V484 HydrophobicContact CB-CG2 4.27Å; V428-V484 HydrophobicContact CB-CG1 4.49Å; V428-V484 HydrophobicContact CG2-CG1 3.84Å; F476-V484 HydrophobicContact CB-CG2 4.33Å; F476-V484 HydrophobicContact CD1-CG2 4.22Å; F476-V484 HydrophobicContact CD2-CB 4.42Å; F476-V484 HydrophobicContact CD2-CG2 3.78Å; F476-V484 HydrophobicContact CE1-CG1 4.14Å; F476-V484 HydrophobicContact CE1-CG2 4.5Å; F476-V484 HydrophobicContact CE2-CB 4.23Å; F476-V484 HydrophobicContact CE2-CG1 4.41Å; F476-V484 HydrophobicContact CE2-CG2 4.09Å; F476-V484 HydrophobicContact CG-CG2 3.86Å; F476-V484 HydrophobicContact CZ-CB 4.39Å; F476-V484 HydrophobicContact CZ-CG1 4.07Å; F476-V484 HydrophobicContact CZ-CG2 4.44Å; D480-V484 PolarHBondContact O-N 3.18Å; D480-V484 VanDerWaalsContact O-N 3.1Å; F481-V484 CarbonylContact O-C 3.55Å; F481-V484 PolarHBondContact O-N 2.87Å; F481-V484 VanDerWaalsContact O-N 3.14Å; V484-N487 PolarHBondContact O-N 3.36Å; V484-T488 WeakPolarHBondContact O-CB 3.02Å; V484-T488 PolarHBondContact O-N 3.19Å; V484-T488 PolarHBondContact O-OG1 3.01Å
485W89.8Confident83Confident4 Ų449.6 Ų49.62%0.01524%0.244CC..Hα-helixtrans-67.9-49175.3-175.6-118.8000112.3V428 L432 V457 A460 E461 V464 F481 R482 R483 N487 T488 L489V428-W485 HydrophobicContact CG1-CE3 4.07Å; V428-W485 HydrophobicContact CG1-CZ3 4.33Å; L432-W485 HydrophobicContact CD1-CH2 4.05Å; L432-W485 HydrophobicContact CD1-CZ3 4.44Å; L432-W485 HydrophobicContact CD2-CH2 4Å; L432-W485 HydrophobicContact CD2-CZ3 4.02Å; V457-W485 HydrophobicContact CG1-CZ2 4.3Å; A460-W485 HydrophobicContact CB-CH2 4.24Å; A460-W485 HydrophobicContact CB-CZ2 4.48Å; E461-W485 HydrophobicContact CB-CD2 4.46Å; E461-W485 HydrophobicContact CB-CH2 4.41Å; E461-W485 HydrophobicContact CB-CZ2 3.61Å; E461-W485 HydrophobicContact CG-CD2 4.18Å; E461-W485 HydrophobicContact CG-CG 4.25Å; E461-W485 HydrophobicContact CG-CZ2 4.23Å; E461-W485 PolarHBondContact OE2-NE1 3.36Å; V464-W485 HydrophobicContact CB-CZ3 4.26Å; V464-W485 HydrophobicContact CG1-CZ3 4.26Å; V464-W485 HydrophobicContact CG2-CH2 4.27Å; V464-W485 HydrophobicContact CG2-CZ3 3.96Å; F481-W485 HydrophobicContact CZ-CB 4.44Å; F481-W485 HydrophobicContact CZ-CE3 4.43Å; F481-W485 WeakPolarHBondContact O-CB 3.37Å; F481-W485 PolarHBondContact O-N 2.87Å; R482-W485 PolarHBondContact O-N 3.43Å; R483-W485 VanDerWaalsContact C-N 3.29Å; R483-W485 PolarHBondContact O-N 3Å; W485-N487 VanDerWaalsContact C-N 3.25Å; W485-N487 PolarHBondContact O-N 3.48Å; W485-T488 WeakPolarHBondContact O-CA 3.19Å; W485-T488 WeakPolarHBondContact O-CB 3.49Å; W485-T488 PolarHBondContact O-N 3.37Å; W485-L489 HydrophobicContact CZ2-CD2 4.37Å; W485-L489 WeakPolarHBondContact O-CG 3.46Å; W485-L489 PolarHBondContact O-N 3.3Å
486D87Confident83.4Confident60 Ų6043.3 Ų43.332%0.32121%0.205SC..Hα-helixtrans-56-41.1172.7-77.9-15.5000111.7R482 R483 Y490R482-D486 PolarHBondContact O-N 2.93Å; R483-D486 PolarHBondContact O-N 3.26Å; D486-Y490 PolarHBondContact O-N 3.48Å
487N86.8Confident83.7Confident5 Ų547.2 Ų47.23%0.02722%0.222CC..Hα-helixtrans-66.8-39.3173.9-76.2-8.5000112L417 D421 R483 V484 W485 Y490 V491L417-N487 HydrophobicContact CD2-CB 4.1Å; D421-N487 VanDerWaalsContact CG-ND2 3.25Å; D421-N487 PolarHBondContact OD2-ND2 3Å; R483-N487 WeakPolarHBondContact O-CB 3.19Å; R483-N487 VanDerWaalsContact O-CG 3.29Å; R483-N487 PolarHBondContact O-N 3.18Å; V484-N487 PolarHBondContact O-N 3.36Å; W485-N487 VanDerWaalsContact C-N 3.25Å; W485-N487 PolarHBondContact O-N 3.48Å; N487-Y490 WeakPolarHBondContact O-CB 3.22Å; N487-Y490 PolarHBondContact O-N 2.9Å; N487-V491 WeakPolarHBondContact O-CG2 3.24Å; N487-V491 PolarHBondContact O-N 2.82Å
488T88Confident83.7Confident0 Ų048.5 Ų48.50%024%0.236CC..Hα-helixtrans-63.4-43.5176.8-58.50000111.4S425 V428 L429 V484 W485 Y490 V491 L492S425-T488 WeakPolarHBondContact CA-OG1 3.43Å; S425-T488 VanDerWaalsContact CB-OG1 3.27Å; S425-T488 WeakPolarHBondContact CB-OG1 3.25Å; S425-T488 PolarHBondContact O-OG1 2.92Å; V428-T488 HydrophobicContact CB-CG2 4.47Å; V428-T488 HydrophobicContact CG1-CG2 4.17Å; L429-T488 HydrophobicContact CB-CG2 3.96Å; L429-T488 HydrophobicContact CD1-CG2 4.02Å; V484-T488 WeakPolarHBondContact O-CB 3.02Å; V484-T488 PolarHBondContact O-N 3.19Å; V484-T488 PolarHBondContact O-OG1 3.01Å; W485-T488 WeakPolarHBondContact O-CA 3.19Å; W485-T488 WeakPolarHBondContact O-CB 3.49Å; W485-T488 PolarHBondContact O-N 3.37Å; T488-Y490 VanDerWaalsContact C-N 3.29Å; T488-Y490 PolarHBondContact O-N 3.01Å; T488-V491 PolarHBondContact O-N 2.83Å; T488-L492 WeakPolarHBondContact O-CB 3.43Å; T488-L492 PolarHBondContact O-N 3.01Å
489L88.3Confident83.8Confident8 Ų844.4 Ų44.44%0.04222%0.218CC..Hα-helixtrans-65.9-31.5174.4-67.5175.9000112.2V457 W485 L492 L493 V518 I521 L524V457-L489 HydrophobicContact CG1-CD1 4.3Å; W485-L489 HydrophobicContact CZ2-CD2 4.37Å; W485-L489 WeakPolarHBondContact O-CG 3.46Å; W485-L489 PolarHBondContact O-N 3.3Å; L489-L492 HydrophobicContact CD2-CD2 4.14Å; L489-L492 WeakPolarHBondContact O-CB 3.46Å; L489-L493 WeakPolarHBondContact O-CG 3.24Å; L489-L493 PolarHBondContact O-N 3.18Å; L489-V518 HydrophobicContact CB-CG1 3.66Å; L489-V518 HydrophobicContact CB-CG2 4.39Å; L489-V518 HydrophobicContact CD1-CG1 3.85Å; L489-V518 HydrophobicContact CG-CG1 4.43Å; L489-I521 HydrophobicContact CB-CD1 3.82Å; L489-I521 HydrophobicContact CD1-CD1 4.42Å; L489-I521 HydrophobicContact CD2-CD1 3.99Å; L489-I521 HydrophobicContact CG-CD1 4.29Å; L489-L524 HydrophobicContact CD2-CD2 4.46Å
490Y84.6Confident83.8Confident35 Ų3540.9 Ų40.914%0.13719%0.192CC..Hα-helixtrans-68.2-47.1171.9-177.9-101.8000112.5L397 R415 L417 D486 N487 T488 L492 L493 H494 V518L397-Y490 HydrophobicContact CD2-CE1 4.12Å; R415-Y490 WeakPolarHBondContact O-CE1 3.41Å; R415-Y490 VanDerWaalsContact O-CZ 3.29Å; R415-Y490 PolarHBondContact O-OH 3.46Å; L417-Y490 HydrophobicContact CD1-CD1 3.52Å; L417-Y490 HydrophobicContact CD1-CE1 3.82Å; D486-Y490 PolarHBondContact O-N 3.48Å; N487-Y490 WeakPolarHBondContact O-CB 3.22Å; N487-Y490 PolarHBondContact O-N 2.9Å; T488-Y490 VanDerWaalsContact C-N 3.29Å; T488-Y490 PolarHBondContact O-N 3.01Å; Y490-L492 VanDerWaalsContact C-N 3.27Å; Y490-L492 PolarHBondContact O-N 2.82Å; Y490-L493 PolarHBondContact O-N 3.02Å; Y490-H494 AromaticContact CD2-CD2 3.86Å; Y490-H494 AromaticContact CE1-CD2 3.88Å; Y490-H494 AromaticContact CE2-CD2 3.32Å; Y490-H494 WeakPolarHBondContact CE2-CD2 3.35Å; Y490-H494 AromaticContact CE2-NE2 3.12Å; Y490-H494 WeakPolarHBondContact CE2-NE2 3.31Å; Y490-H494 AromaticContact CZ-CD2 3.31Å; Y490-H494 AromaticContact CZ-NE2 3.26Å; Y490-H494 VanDerWaalsContact CZ-NE2 3.26Å; Y490-H494 PolarHBondContact O-CD2 3.33Å; Y490-H494 PolarHBondContact O-N 3.44Å; Y490-H494 PolarHBondContact OH-CD2 2.85Å; Y490-H494 PolarHBondContact OH-NE2 3.09Å; Y490-V518 HydrophobicContact CD2-CG2 4.45Å
491V84.6Confident83.8Confident0 Ų039.5 Ų39.50%019%0.187CC..Hα-helixtrans-58.6-41173.1177.10000110.7L397 L417 L422 L426 L429 N487 T488 H494 V495 G496L397-V491 HydrophobicContact CD1-CB 4.38Å; L397-V491 HydrophobicContact CD1-CG1 4.07Å; L397-V491 HydrophobicContact CD1-CG2 4.12Å; L417-V491 HydrophobicContact CD2-CG2 3.83Å; L422-V491 HydrophobicContact CD1-CG2 3.91Å; L426-V491 HydrophobicContact CD2-CG1 4.35Å; L429-V491 HydrophobicContact CD2-CG1 3.98Å; N487-V491 WeakPolarHBondContact O-CG2 3.24Å; N487-V491 PolarHBondContact O-N 2.82Å; T488-V491 PolarHBondContact O-N 2.83Å; V491-H494 PolarHBondContact O-N 3.4Å; V491-V495 WeakPolarHBondContact O-CB 3.44Å; V491-V495 PolarHBondContact O-N 2.97Å; V491-G496 PolarHBondContact O-N 3.19Å
492L86.7Confident83.9Confident5 Ų539 Ų393%0.02619%0.185CC..Iπ-helixtrans-59.1-47.1175.8177.874.4000112.4L429 T488 L489 Y490 H494 G496 L502 A504 L524L429-L492 HydrophobicContact CD1-CB 4.44Å; L429-L492 HydrophobicContact CD1-CD1 4.25Å; T488-L492 WeakPolarHBondContact O-CB 3.43Å; T488-L492 PolarHBondContact O-N 3.01Å; L489-L492 HydrophobicContact CD2-CD2 4.14Å; L489-L492 WeakPolarHBondContact O-CB 3.46Å; Y490-L492 VanDerWaalsContact C-N 3.27Å; Y490-L492 PolarHBondContact O-N 2.82Å; L492-H494 VanDerWaalsContact C-N 3.33Å; L492-H494 PolarHBondContact O-N 3.17Å; L492-G496 WeakPolarHBondContact O-CA 3.32Å; L492-G496 PolarHBondContact O-N 3.08Å; L492-L502 HydrophobicContact CD1-CB 3.38Å; L492-L502 HydrophobicContact CD1-CD1 4.01Å; L492-L502 HydrophobicContact CD1-CG 4.35Å; L492-A504 HydrophobicContact CD2-CB 4.16Å; L492-L524 HydrophobicContact CD2-CD2 3.41Å; L492-L524 VanDerWaalsContact CD2-CD2 3.41Å
493L83.7Confident83.8Confident11 Ų1130.4 Ų30.46%0.05815%0.154CC..Iπ-helixtrans-63.5-36179.7-79.1172.6000113.4L489 Y490 A504 L512 V518 I521L489-L493 WeakPolarHBondContact O-CG 3.24Å; L489-L493 PolarHBondContact O-N 3.18Å; Y490-L493 PolarHBondContact O-N 3.02Å; L493-A504 HydrophobicContact CD2-CB 3.83Å; L493-L512 HydrophobicContact CD2-CB 3.38Å; L493-L512 HydrophobicContact CD2-CD2 3.9Å; L493-L512 HydrophobicContact CD2-CG 4.27Å; L493-V518 HydrophobicContact CD1-CB 4.49Å; L493-V518 HydrophobicContact CD1-CG2 3.9Å; L493-I521 HydrophobicContact CD1-CD1 3.95Å; L493-I521 HydrophobicContact CD1-CG1 4.3Å; L493-I521 HydrophobicContact CD2-CD1 4.29Å; L493-I521 HydrophobicContact CD2-CG1 4.23Å; L493-I521 HydrophobicContact CG-CD1 3.95Å; L493-I521 HydrophobicContact CG-CG1 4.39Å
494H79.2Confident83.9Confident68 Ų6825.2 Ų25.232%0.31514%0.135SC..Iπ-helixtrans-86.9-36.5-177.9-79-81000114.3L397 Y490 V491 L492 P514L397-H494 HydrophobicContact CD2-CB 3.85Å; Y490-H494 AromaticContact CD2-CD2 3.86Å; Y490-H494 AromaticContact CE1-CD2 3.88Å; Y490-H494 AromaticContact CE2-CD2 3.32Å; Y490-H494 WeakPolarHBondContact CE2-CD2 3.35Å; Y490-H494 AromaticContact CE2-NE2 3.12Å; Y490-H494 WeakPolarHBondContact CE2-NE2 3.31Å; Y490-H494 AromaticContact CZ-CD2 3.31Å; Y490-H494 AromaticContact CZ-NE2 3.26Å; Y490-H494 VanDerWaalsContact CZ-NE2 3.26Å; Y490-H494 PolarHBondContact O-CD2 3.33Å; Y490-H494 PolarHBondContact O-N 3.44Å; Y490-H494 PolarHBondContact OH-CD2 2.85Å; Y490-H494 PolarHBondContact OH-NE2 3.09Å; V491-H494 PolarHBondContact O-N 3.4Å; L492-H494 VanDerWaalsContact C-N 3.33Å; L492-H494 PolarHBondContact O-N 3.17Å; H494-P514 PolarHBondContact CE1-O 3.15Å; H494-P514 VanDerWaalsContact ND1-CB 3.31Å; H494-P514 WeakPolarHBondContact ND1-CB 3.48Å
495V81.7Confident83.8Confident5 Ų525 Ų253%0.0313%0.134CC..Iπ-helixtrans-126.8-20.1-165.9176.10000112.3V394 L397 V491 K497 A498 H499 F500V394-V495 HydrophobicContact CG2-CG1 3.81Å; L397-V495 HydrophobicContact CD1-CG2 3.62Å; L397-V495 HydrophobicContact CG-CG2 4.24Å; V491-V495 WeakPolarHBondContact O-CB 3.44Å; V491-V495 PolarHBondContact O-N 2.97Å; V495-K497 PolarHBondContact O-N 2.78Å; V495-A498 PolarHBondContact O-N 3.46Å; V495-H499 HydrophobicContact CG1-CB 3.93Å; V495-H499 PolarHBondContact O-N 3.06Å; V495-F500 HydrophobicContact CG1-CD2 4.02Å; V495-F500 HydrophobicContact CG1-CE2 3.68Å
496G78.8Confident83.6Confident0 Ų026.7 Ų26.70%014%0.143CC..Iπ-helixtrans-54.5-53.6-17400000114.9V491 L492 A498 F500 S501 L502V491-G496 PolarHBondContact O-N 3.19Å; L492-G496 WeakPolarHBondContact O-CA 3.32Å; L492-G496 PolarHBondContact O-N 3.08Å; G496-A498 PolarHBondContact O-N 3.35Å; G496-F500 CarbonylContact O-C 3.56Å; G496-F500 WeakPolarHBondContact O-CA 3.48Å; G496-F500 PolarHBondContact O-N 2.87Å; G496-S501 PolarHBondContact O-N 3.12Å; G496-L502 CarbonylContact C-O 3.58Å; G496-L502 PolarHBondContact O-N 3.27Å
497K81Confident83.3Confident108 Ų10829.3 Ų29.347%0.4716%0.161SC..Iπ-helixtrans-66.5-39.6-176.5-177172.4-179.7177.30112.5V495 L502 V503 E511 L527V495-K497 PolarHBondContact O-N 2.78Å; K497-L502 VanDerWaalsContact CA-O 3.22Å; K497-L502 WeakPolarHBondContact CA-O 3.43Å; K497-L502 PolarHBondContact N-O 3.48Å; K497-V503 HydrophobicContact CB-CG2 4.31Å; K497-V503 HydrophobicContact CD-CG2 4.16Å; K497-V503 HydrophobicContact CG-CG2 4.01Å; K497-E511 VanDerWaalsContact NZ-CD 3.31Å; K497-E511 IonicContact NZ-OE1 3.51Å; K497-E511 PolarHBondContact NZ-OE1 3.2Å; K497-E511 IonicContact NZ-OE2 2.78Å; K497-E511 PolarHBondContact NZ-OE2 3.28Å; K497-L527 HydrophobicContact CG-CD1 4.43Å
498A76.8Confident82.9Confident74 Ų7432.8 Ų32.861%0.61219%0.185SC*.Iπ-helixtrans-74.5-40-176.400000112.8V495 G496V495-A498 PolarHBondContact O-N 3.46Å; G496-A498 PolarHBondContact O-N 3.35Å
499H78.3Confident82.4Confident36 Ų3639.4 Ų39.417%0.16721%0.214CC..Iπ-helixtrans-119.7-36-164.2-65.5-65.3000114.5K390 D393 V495K390-H499 WeakPolarHBondContact CA-ND1 3.31Å; K390-H499 HydrophobicContact CB-CB 4.45Å; K390-H499 HydrophobicContact CG-CB 3.96Å; K390-H499 WeakPolarHBondContact CG-ND1 3.35Å; D393-H499 WeakPolarHBondContact CB-NE2 3.4Å; D393-H499 IonicContact OD2-CD2 3.75Å; D393-H499 IonicContact OD2-CE1 2.69Å; D393-H499 IonicContact OD2-NE2 2.61Å; D393-H499 PolarHBondContact OD2-NE2 3.07Å; V495-H499 HydrophobicContact CG1-CB 3.93Å; V495-H499 PolarHBondContact O-N 3.06Å
500F77.6Confident82Confident59 Ų5941.8 Ų41.826%0.25923%0.232SC..Iπ-helixtrans-98.3-5.1-179.8-63.1-78.5000113.6V394 L426 L429 Y433 V495 G496 L502V394-F500 HydrophobicContact CG2-CE2 4.42Å; L426-F500 HydrophobicContact CD2-CE2 4.28Å; L426-F500 HydrophobicContact CD2-CZ 3.72Å; L429-F500 HydrophobicContact CD2-CD1 4.16Å; L429-F500 HydrophobicContact CD2-CD2 3.65Å; L429-F500 HydrophobicContact CD2-CE1 4.21Å; L429-F500 HydrophobicContact CD2-CE2 3.69Å; L429-F500 HydrophobicContact CD2-CG 3.89Å; L429-F500 HydrophobicContact CD2-CZ 3.98Å; Y433-F500 WeakPolarHBondContact CD2-O 3.15Å; Y433-F500 VanDerWaalsContact CE2-O 3.27Å; Y433-F500 WeakPolarHBondContact CE2-O 3.38Å; V495-F500 HydrophobicContact CG1-CD2 4.02Å; V495-F500 HydrophobicContact CG1-CE2 3.68Å; G496-F500 CarbonylContact O-C 3.56Å; G496-F500 WeakPolarHBondContact O-CA 3.48Å; G496-F500 PolarHBondContact O-N 2.87Å; F500-L502 HydrophobicContact CB-CG 4.38Å; F500-L502 PolarHBondContact O-N 3.49Å
501S82.6Confident81.7Confident37 Ų3744.9 Ų44.926%0.25925%0.247SC..  trans57.233.4-176.2-550000113.3G496 L527G496-S501 PolarHBondContact O-N 3.12Å; S501-L527 WeakPolarHBondContact O-CB 3.41Å; S501-L527 PolarHBondContact O-N 3.48Å
502L87Confident81.2Confident1 Ų145.5 Ų45.51%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-114141.6175.1-62.6-177.7000110L429 Y433 L436 L492 G496 K497 F500 E525L429-L502 HydrophobicContact CD1-CD1 3.89Å; Y433-L502 HydrophobicContact CD2-CD1 4.38Å; Y433-L502 HydrophobicContact CD2-CD2 3.85Å; Y433-L502 HydrophobicContact CD2-CG 4.05Å; L436-L502 HydrophobicContact CB-CD2 4.3Å; L436-L502 HydrophobicContact CD1-CD1 4.37Å; L436-L502 HydrophobicContact CD1-CD2 3.91Å; L492-L502 HydrophobicContact CD1-CB 3.38Å; L492-L502 HydrophobicContact CD1-CD1 4.01Å; L492-L502 HydrophobicContact CD1-CG 4.35Å; G496-L502 CarbonylContact C-O 3.58Å; G496-L502 PolarHBondContact O-N 3.27Å; K497-L502 VanDerWaalsContact CA-O 3.22Å; K497-L502 WeakPolarHBondContact CA-O 3.43Å; K497-L502 PolarHBondContact N-O 3.48Å; F500-L502 HydrophobicContact CB-CG 4.38Å; F500-L502 PolarHBondContact O-N 3.49Å; L502-E525 CarbonylContact C-O 3.24Å; L502-E525 WeakPolarHBondContact CA-O 3.4Å
503V86.1Confident80.4Confident5 Ų546.5 Ų46.53%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-124.6134.1-178.8177.70000110.2K497 V505 E511 E525 L527K497-V503 HydrophobicContact CB-CG2 4.31Å; K497-V503 HydrophobicContact CD-CG2 4.16Å; K497-V503 HydrophobicContact CG-CG2 4.01Å; V503-V505 HydrophobicContact CG1-CG2 3.91Å; V503-E511 HydrophobicContact CG1-CB 4Å; V503-E511 HydrophobicContact CG1-CG 3.87Å; V503-E525 PolarHBondContact N-O 2.79Å; V503-E525 PolarHBondContact O-N 2.87Å; V503-L527 HydrophobicContact CG2-CD1 3.63Å; V503-L527 HydrophobicContact CG2-CD2 3.98Å; V503-L527 HydrophobicContact CG2-CG 3.76Å
504A86.1Confident79.5Confident5 Ų549.6 Ų49.64%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-90.7138168.500000109.8L492 L493 L512 I521L492-A504 HydrophobicContact CD2-CB 4.16Å; L493-A504 HydrophobicContact CD2-CB 3.83Å; A504-L512 HydrophobicContact CB-CB 4.18Å; A504-L512 HydrophobicContact CB-CD1 4.38Å; A504-L512 PolarHBondContact O-N 2.77Å; A504-I521 HydrophobicContact CB-CD1 4.31Å; A504-I521 HydrophobicContact CB-CG1 4.05Å; A504-I521 HydrophobicContact CB-CG2 3.75Å
505V84.8Confident78.7Confident0 Ų054.5 Ų54.50%031%0.311CS..EExtended strand (participates in β ladder)trans-134.8140.8-174.6174.90000111V503 S510 L512 T522 E523V503-V505 HydrophobicContact CG1-CG2 3.91Å; V505-S510 WeakPolarHBondContact CA-O 3.3Å; V505-L512 VanDerWaalsContact CA-CD1 3.44Å; V505-T522 PolarHBondContact O-N 2.74Å; V505-T522 PolarHBondContact O-OG1 3.03Å; V505-E523 HydrophobicContact CB-CB 3.83Å; V505-E523 HydrophobicContact CG1-CB 4.07Å; V505-E523 PolarHBondContact N-O 3.33Å; V505-E523 PolarHBondContact O-N 3.04Å
506D85.3Confident78.1Confident39 Ų3957.2 Ų57.221%0.20933%0.325CS..  trans-91.3170.9-178.817057.7000112S508 K509 S510 L512D506-S508 PolarHBondContact O-N 3.14Å; D506-S508 VanDerWaalsContact O-N 3.16Å; D506-S508 WeakPolarHBondContact OD2-CB 3.44Å; D506-S508 PolarHBondContact OD2-N 2.76Å; D506-S508 PolarHBondContact OD2-OG 3.34Å; D506-K509 WeakPolarHBondContact O-CA 3.46Å; D506-K509 PolarHBondContact O-N 2.82Å; D506-S510 PolarHBondContact N-O 3.34Å; D506-S510 VanDerWaalsContact N-O 3.1Å; D506-L512 HydrophobicContact CB-CD1 3.75Å
507V81.2Confident77.6Confident115 Ų11566.2 Ų66.270%0.69736%0.359SS*.THydrogen-bonded Turntrans-50.6-36170.8-174.80000112K509 T522V507-K509 PolarHBondContact O-N 3.04Å; V507-K509 VanDerWaalsContact O-N 3.14Å; V507-T522 HydrophobicContact CG2-CG2 3.67Å; V507-T522 PolarHBondContact N-OG1 2.9Å; V507-T522 VanDerWaalsContact N-OG1 3.15Å
508S78.6Confident77.3Confident77 Ų7762.4 Ų62.454%0.53835%0.345SS..THydrogen-bonded Turntrans-68-1.8174.162.70000115D506 S510D506-S508 PolarHBondContact O-N 3.14Å; D506-S508 VanDerWaalsContact O-N 3.16Å; D506-S508 WeakPolarHBondContact OD2-CB 3.44Å; D506-S508 PolarHBondContact OD2-N 2.76Å; D506-S508 PolarHBondContact OD2-OG 3.34Å; S508-S510 PolarHBondContact O-N 3.4Å; S508-S510 VanDerWaalsContact O-N 3.17Å; S508-S510 WeakPolarHBondContact OG-CB 3.43Å; S508-S510 PolarHBondContact OG-OG 2.95Å
509K77Confident77.2Confident139 Ų13966.2 Ų66.260%0.60435%0.353SS*.  trans6012.3-171-63.1-177.4177.5178.30114.9D506 V507D506-K509 WeakPolarHBondContact O-CA 3.46Å; D506-K509 PolarHBondContact O-N 2.82Å; V507-K509 PolarHBondContact O-N 3.04Å; V507-K509 VanDerWaalsContact O-N 3.14Å
510S79.5Confident77.1Confident58 Ų5868.6 Ų68.641%0.40636%0.364SS..PPolyproline II helixtrans-77.2147.9171.366.30000111.6V505 D506 S508V505-S510 WeakPolarHBondContact CA-O 3.3Å; D506-S510 PolarHBondContact N-O 3.34Å; D506-S510 VanDerWaalsContact N-O 3.1Å; S508-S510 PolarHBondContact O-N 3.4Å; S508-S510 VanDerWaalsContact O-N 3.17Å; S508-S510 WeakPolarHBondContact OG-CB 3.43Å; S508-S510 PolarHBondContact OG-OG 2.95Å
511E78.5Confident77.2Confident101 Ų10166.3 Ų66.347%0.47236%0.355SS..BIsolated β-bridgetrans-75.8128.9175.6-55.5-178.7134.500110.1K497 V503K497-E511 VanDerWaalsContact NZ-CD 3.31Å; K497-E511 IonicContact NZ-OE1 3.51Å; K497-E511 PolarHBondContact NZ-OE1 3.2Å; K497-E511 IonicContact NZ-OE2 2.78Å; K497-E511 PolarHBondContact NZ-OE2 3.28Å; V503-E511 HydrophobicContact CG1-CB 4Å; V503-E511 HydrophobicContact CG1-CG 3.87Å
512L75.6Confident77.2Confident12 Ų1266.8 Ų66.86%0.06336%0.356CS..PPolyproline II helixtrans-78.2141.1172.9-7083000110.9L493 A504 V505 D506 N516 Q520 I521L493-L512 HydrophobicContact CD2-CB 3.38Å; L493-L512 HydrophobicContact CD2-CD2 3.9Å; L493-L512 HydrophobicContact CD2-CG 4.27Å; A504-L512 HydrophobicContact CB-CB 4.18Å; A504-L512 HydrophobicContact CB-CD1 4.38Å; A504-L512 PolarHBondContact O-N 2.77Å; V505-L512 VanDerWaalsContact CA-CD1 3.44Å; D506-L512 HydrophobicContact CB-CD1 3.75Å; L512-N516 HydrophobicContact CB-CB 4.17Å; L512-N516 HydrophobicContact CD2-CB 3.73Å; L512-N516 HydrophobicContact CG-CB 4.09Å; L512-Q520 HydrophobicContact CD2-CB 3.76Å; L512-I521 HydrophobicContact CD2-CG1 3.89Å
513G68.8Low77.2Confident27 Ų2769 Ų6928%0.27837%0.367SS..  trans-112.6-176.7170.300000113.1L515 N516G513-L515 PolarHBondContact O-N 2.86Å; G513-N516 PolarHBondContact O-N 3.41Å; G513-N516 VanDerWaalsContact O-N 3.1Å
514P64.4Low77.3Confident76 Ų7668.9 Ų68.949%0.49437%0.366SS..THydrogen-bonded Turntrans-66.46.4-175.628-37.8000115.9H494H494-P514 PolarHBondContact CE1-O 3.15Å; H494-P514 VanDerWaalsContact ND1-CB 3.31Å; H494-P514 WeakPolarHBondContact ND1-CB 3.48Å
515L62.3Low77.3Confident170 Ų17070 Ų7089%0.8937%0.37SS*.THydrogen-bonded Turntrans-104.1-13.8176.6-69.6168.7000112.8G513G513-L515 PolarHBondContact O-N 2.86Å
516N70.1Confident77.3Confident63 Ų6370.1 Ų70.134%0.33737%0.371SS..SBendtrans-92156.5-175-64.38.5000110.6L512 G513L512-N516 HydrophobicContact CB-CB 4.17Å; L512-N516 HydrophobicContact CD2-CB 3.73Å; L512-N516 HydrophobicContact CG-CB 4.09Å; G513-N516 PolarHBondContact O-N 3.41Å; G513-N516 VanDerWaalsContact O-N 3.1Å
517R68.4Low77.2Confident189 Ų18972.6 Ų72.671%0.71338%0.383SS*.  trans-85.9146.3-179.6-65.8-176.8176.5-174-1.3110.8I519 Q520R517-I519 PolarHBondContact O-N 2.88Å; R517-Q520 WeakPolarHBondContact O-CB 3.34Å; R517-Q520 PolarHBondContact O-N 3.2Å
518V75.3Confident77.3Confident28 Ų2873.2 Ų73.217%0.1738%0.377CS..G310 helixtrans-49.2-33.6174.9171.90000113L489 Y490 L493 Q520 I521L489-V518 HydrophobicContact CB-CG1 3.66Å; L489-V518 HydrophobicContact CB-CG2 4.39Å; L489-V518 HydrophobicContact CD1-CG1 3.85Å; L489-V518 HydrophobicContact CG-CG1 4.43Å; Y490-V518 HydrophobicContact CD2-CG2 4.45Å; L493-V518 HydrophobicContact CD1-CB 4.49Å; L493-V518 HydrophobicContact CD1-CG2 3.9Å; V518-Q520 PolarHBondContact O-N 3.49Å; V518-Q520 VanDerWaalsContact O-N 3.16Å; V518-I521 HydrophobicContact CG1-CD1 4.36Å; V518-I521 WeakPolarHBondContact O-CG1 3.31Å; V518-I521 PolarHBondContact O-N 3.35Å
519I73.8Confident77.4Confident153 Ų15370.6 Ų70.679%0.78536%0.358SS*.G310 helixtrans-63.5-18.6179.3-52.6169.1000112.7R517R517-I519 PolarHBondContact O-N 2.88Å
520Q75.5Confident77.6Confident86 Ų8670.4 Ų70.440%0.40235%0.354SS..G310 helixtrans-933.5-178.1-60.6173.7-72.300113.4L512 R517 V518L512-Q520 HydrophobicContact CD2-CB 3.76Å; R517-Q520 WeakPolarHBondContact O-CB 3.34Å; R517-Q520 PolarHBondContact O-N 3.2Å; V518-Q520 PolarHBondContact O-N 3.49Å; V518-Q520 VanDerWaalsContact O-N 3.16Å
521I80Confident77.4Confident12 Ų1270.2 Ų70.26%0.06235%0.346CS..  trans-86.3127.1176.4-46.1164.7000108.7V457 L489 L493 A504 L512 V518 L524V457-I521 HydrophobicContact CG2-CB 4.16Å; V457-I521 HydrophobicContact CG2-CG2 3.54Å; L489-I521 HydrophobicContact CB-CD1 3.82Å; L489-I521 HydrophobicContact CD1-CD1 4.42Å; L489-I521 HydrophobicContact CD2-CD1 3.99Å; L489-I521 HydrophobicContact CG-CD1 4.29Å; L493-I521 HydrophobicContact CD1-CD1 3.95Å; L493-I521 HydrophobicContact CD1-CG1 4.3Å; L493-I521 HydrophobicContact CD2-CD1 4.29Å; L493-I521 HydrophobicContact CD2-CG1 4.23Å; L493-I521 HydrophobicContact CG-CD1 3.95Å; L493-I521 HydrophobicContact CG-CG1 4.39Å; A504-I521 HydrophobicContact CB-CD1 4.31Å; A504-I521 HydrophobicContact CB-CG1 4.05Å; A504-I521 HydrophobicContact CB-CG2 3.75Å; L512-I521 HydrophobicContact CD2-CG1 3.89Å; V518-I521 HydrophobicContact CG1-CD1 4.36Å; V518-I521 WeakPolarHBondContact O-CG1 3.31Å; V518-I521 PolarHBondContact O-N 3.35Å; I521-L524 HydrophobicContact CG2-CD2 3.8Å; I521-L524 HydrophobicContact CG2-CG 4.49Å
522T82.9Confident77.4Confident46 Ų4667.9 Ų67.928%0.28234%0.34SS..  trans-126.6-34.1175.559.10000113.6D456 V457 V505 V507D456-T522 WeakPolarHBondContact CA-O 3.44Å; V457-T522 PolarHBondContact N-O 3.15Å; V505-T522 PolarHBondContact O-N 2.74Å; V505-T522 PolarHBondContact O-OG1 3.03Å; V507-T522 HydrophobicContact CG2-CG2 3.67Å; V507-T522 PolarHBondContact N-OG1 2.9Å; V507-T522 VanDerWaalsContact N-OG1 3.15Å
523E86.2Confident77.5Confident49 Ų4969.8 Ų69.823%0.22936%0.363CS..EExtended strand (participates in β ladder)trans-116.1147.1174.7-75.7-179.416700110.4R454 V505R454-E523 HydrophobicContact CB-CB 4.44Å; R454-E523 WeakPolarHBondContact CD-OE2 3.42Å; R454-E523 IonicContact CZ-OE2 3.65Å; R454-E523 IonicContact NE-OE2 3.71Å; R454-E523 IonicContact NH1-OE2 2.84Å; R454-E523 PolarHBondContact NH1-OE2 2.86Å; V505-E523 HydrophobicContact CB-CB 3.83Å; V505-E523 HydrophobicContact CG1-CB 4.07Å; V505-E523 PolarHBondContact N-O 3.33Å; V505-E523 PolarHBondContact O-N 3.04Å
524L88.2Confident78Confident1 Ų174.4 Ų74.41%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-125.1133.9176.3-65.1172000109.7L432 L436 R454 L455 V457 A460 L489 L492 I521L432-L524 HydrophobicContact CD1-CD1 4.36Å; L432-L524 HydrophobicContact CD2-CD1 4.45Å; L436-L524 HydrophobicContact CD1-CB 4.03Å; L436-L524 HydrophobicContact CD2-CB 4.03Å; R454-L524 WeakPolarHBondContact CA-O 3.09Å; L455-L524 PolarHBondContact N-O 2.91Å; L455-L524 PolarHBondContact O-N 3.38Å; V457-L524 HydrophobicContact CG2-CD1 4.01Å; V457-L524 HydrophobicContact CG2-CD2 4.34Å; V457-L524 HydrophobicContact CG2-CG 3.82Å; A460-L524 HydrophobicContact CB-CD1 3.66Å; L489-L524 HydrophobicContact CD2-CD2 4.46Å; L492-L524 HydrophobicContact CD2-CD2 3.41Å; L492-L524 VanDerWaalsContact CD2-CD2 3.41Å; I521-L524 HydrophobicContact CG2-CD2 3.8Å; I521-L524 HydrophobicContact CG2-CG 4.49Å
525E86.4Confident78.8Confident29 Ų2972 Ų7214%0.13637%0.37CS..EExtended strand (participates in β ladder)trans-132.4144.1-178.2-164.4171.8168.200111.3P453 R454 L502 V503P453-E525 HydrophobicContact CG-CG 4.44Å; P453-E525 WeakPolarHBondContact CG-OE1 3.05Å; R454-E525 HydrophobicContact CG-CB 4.1Å; R454-E525 HydrophobicContact CG-CG 4.04Å; R454-E525 WeakPolarHBondContact CG-OE2 3.05Å; R454-E525 IonicContact CZ-OE2 2.73Å; R454-E525 IonicContact NE-OE2 3.41Å; R454-E525 PolarHBondContact NE-OE2 2.94Å; R454-E525 IonicContact NH2-OE2 3.5Å; R454-E525 PolarHBondContact NH2-OE2 3.27Å; L502-E525 CarbonylContact C-O 3.24Å; L502-E525 WeakPolarHBondContact CA-O 3.4Å; V503-E525 PolarHBondContact N-O 2.79Å; V503-E525 PolarHBondContact O-N 2.87Å
526S86.2Confident79.8Confident2 Ų270.4 Ų70.41%0.01435%0.352CS..EExtended strand (participates in β ladder)trans-104.2120168.169.90000111.1L436 S437 A440 K528L436-S526 VanDerWaalsContact C-OG 3.31Å; L436-S526 PolarHBondContact O-OG 2.91Å; S437-S526 VanDerWaalsContact CA-OG 3.31Å; S437-S526 WeakPolarHBondContact CA-OG 2.75Å; S437-S526 PolarHBondContact N-OG 3.04Å; A440-S526 WeakPolarHBondContact CB-OG 3.48Å; S526-K528 PolarHBondContact O-N 2.87Å
527L82.6Confident80.4Confident91 Ų9173.6 Ų73.648%0.47637%0.369SS..SBendtrans-70.6-10.2174.8-58175.8000112.3K497 S501 V503 P529K497-L527 HydrophobicContact CG-CD1 4.43Å; S501-L527 WeakPolarHBondContact O-CB 3.41Å; S501-L527 PolarHBondContact O-N 3.48Å; V503-L527 HydrophobicContact CG2-CD1 3.63Å; V503-L527 HydrophobicContact CG2-CD2 3.98Å; V503-L527 HydrophobicContact CG2-CG 3.76Å; L527-P529 VanDerWaalsContact C-CD 3.5Å; L527-P529 WeakPolarHBondContact O-CD 3.17Å
528K83.1Confident81.1Confident129 Ų12972.8 Ų72.856%0.56137%0.366SS*.SBendtrans-123.972.4-177.1-163.9170.8-178.9-179.50111.7S437 S526S437-K528 WeakPolarHBondContact CB-O 3.45Å; S526-K528 PolarHBondContact O-N 2.87Å
529P79.7Confident81.5Confident21 Ų2179.2 Ų79.214%0.13639%0.387CS..  trans-60.3137.817924.8-36.6000113.1A440 Y444 L527 F531A440-P529 HydrophobicContact CB-CB 3.89Å; Y444-P529 HydrophobicContact CD2-CB 3.88Å; Y444-P529 HydrophobicContact CD2-CG 3.74Å; Y444-P529 HydrophobicContact CE2-CB 4.19Å; Y444-P529 HydrophobicContact CE2-CG 3.78Å; L527-P529 VanDerWaalsContact C-CD 3.5Å; L527-P529 WeakPolarHBondContact O-CD 3.17Å; P529-F531 HydrophobicContact CB-CE2 4.37Å; P529-F531 HydrophobicContact CB-CZ 4.28Å; P529-F531 HydrophobicContact CG-CE1 4.42Å; P529-F531 HydrophobicContact CG-CE2 3.72Å; P529-F531 HydrophobicContact CG-CZ 3.63Å; P529-F531 WeakPolarHBondContact O-CD2 3.45Å; P529-F531 PolarHBondContact O-N 3.31Å
530Y81.3Confident82Confident136 Ų13675.6 Ų75.653%0.53337%0.374SS..  trans-85.488.9174-178.3-99.8000110.3S437 R438 P532S437-Y530 PolarHBondContact O-N 2.97Å; R438-Y530 HydrophobicContact CG-CD1 4.39Å; Y530-P532 WeakPolarHBondContact O-CD 3.43Å
531F76.6Confident82.4Confident53 Ų5378.3 Ų78.323%0.23239%0.385CS..  trans-67122.1173.5-57.7-80.8000111Y444 P529 R536Y444-F531 HydrophobicContact CD2-CE1 4.33Å; Y444-F531 HydrophobicContact CD2-CZ 4.4Å; Y444-F531 HydrophobicContact CG-CE1 4.27Å; P529-F531 HydrophobicContact CB-CE2 4.37Å; P529-F531 HydrophobicContact CB-CZ 4.28Å; P529-F531 HydrophobicContact CG-CE1 4.42Å; P529-F531 HydrophobicContact CG-CE2 3.72Å; P529-F531 HydrophobicContact CG-CZ 3.63Å; P529-F531 WeakPolarHBondContact O-CD2 3.45Å; P529-F531 PolarHBondContact O-N 3.31Å; F531-R536 HydrophobicContact CB-CG 3.67Å; F531-R536 PolarHBondContact O-NE 2.95Å; F531-R536 PolarHBondContact O-NH2 2.74Å
532P78.2Confident82.6Confident52 Ų5283.3 Ų83.334%0.33841%0.408SS..  trans-66.4154.4173.626.4-34.2000112Y530 V534 C535 R536Y530-P532 WeakPolarHBondContact O-CD 3.43Å; P532-V534 VanDerWaalsContact C-N 3.35Å; P532-V534 PolarHBondContact O-N 2.99Å; P532-C535 HydrophobicContact CG-CB 3.98Å; P532-C535 WeakPolarHBondContact O-CB 3.28Å; P532-C535 PolarHBondContact O-N 3.44Å; P532-R536 PolarHBondContact O-N 3.21Å; P532-R536 VanDerWaalsContact O-N 3.09Å
533G77.2Confident82.6Confident53 Ų5389.9 Ų89.955%0.54643%0.428SS..Hα-helixtrans-53.7-43.8-170.900000114.5C535 R536 L537G533-C535 VanDerWaalsContact C-N 3.32Å; G533-C535 PolarHBondContact O-N 3.18Å; G533-R536 PolarHBondContact O-N 3.04Å; G533-L537 WeakPolarHBondContact O-CB 3.49Å; G533-L537 PolarHBondContact O-N 3.42Å
534V78.6Confident82.6Confident123 Ų12393.2 Ų93.275%0.74544%0.442SS*.Hα-helixtrans-61.5-39.4178.4-176.50000111.9P532 L537 R538P532-V534 VanDerWaalsContact C-N 3.35Å; P532-V534 PolarHBondContact O-N 2.99Å; V534-L537 PolarHBondContact O-N 2.96Å; V534-R538 WeakPolarHBondContact O-CB 3.4Å; V534-R538 PolarHBondContact O-N 3.45Å
535C82.9Confident82.6Confident27 Ų2795 Ų9518%0.18246%0.456CS..Hα-helixtrans-69.7-40.71781770000111.7C445 P532 G533 R538 R539C445-C535 VanDerWaalsContact CA-SG 3.6Å; C445-C535 HydrophobicContact CB-CB 3.84Å; C445-C535 WeakPolarHBondContact CB-SG 3.24Å; C445-C535 WeakPolarHBondContact SG-CB 3.45Å; C445-C535 CovalentContact SG-SG 2.03Å; C445-C535 PolarHBondContact SG-SG 3.14Å; P532-C535 HydrophobicContact CG-CB 3.98Å; P532-C535 WeakPolarHBondContact O-CB 3.28Å; P532-C535 PolarHBondContact O-N 3.44Å; G533-C535 VanDerWaalsContact C-N 3.32Å; G533-C535 PolarHBondContact O-N 3.18Å; C535-R538 PolarHBondContact O-N 3.36Å; C535-R539 WeakPolarHBondContact O-CB 3.25Å; C535-R539 PolarHBondContact O-N 3.38Å
536R82.8Confident82.6Confident136 Ų13695.6 Ų95.651%0.51347%0.47SS..Hα-helixtrans-60.4-45.6170.9-61.2-172.3-166.6-150.91.2111.3F531 P532 G533 R539 C540F531-R536 HydrophobicContact CB-CG 3.67Å; F531-R536 PolarHBondContact O-NE 2.95Å; F531-R536 PolarHBondContact O-NH2 2.74Å; P532-R536 PolarHBondContact O-N 3.21Å; P532-R536 VanDerWaalsContact O-N 3.09Å; G533-R536 PolarHBondContact O-N 3.04Å; R536-R539 PolarHBondContact O-N 3.34Å; R536-C540 WeakPolarHBondContact O-CB 3.47Å; R536-C540 PolarHBondContact O-N 3.09Å
537L82Confident82.6Confident130 Ų13098.7 Ų98.768%0.68149%0.489SS*.Hα-helixtrans-61.6-46.6179.3-161.786.6000111.4G533 V534 R539 C540 F541G533-L537 WeakPolarHBondContact O-CB 3.49Å; G533-L537 PolarHBondContact O-N 3.42Å; V534-L537 PolarHBondContact O-N 2.96Å; L537-R539 PolarHBondContact O-N 3.37Å; L537-C540 PolarHBondContact O-N 3.47Å; L537-F541 WeakPolarHBondContact O-CB 3.31Å; L537-F541 PolarHBondContact O-N 3.08Å
538R84.5Confident82.9Confident172 Ų17297 Ų9765%0.64948%0.484SS*.Hα-helixtrans-59.1-47.1177-173180-173.9-179.44.7111.8V534 C535 F541 Q542V534-R538 WeakPolarHBondContact O-CB 3.4Å; V534-R538 PolarHBondContact O-N 3.45Å; C535-R538 PolarHBondContact O-N 3.36Å; R538-F541 PolarHBondContact O-N 2.69Å; R538-Q542 WeakPolarHBondContact O-CG 3.4Å; R538-Q542 PolarHBondContact O-N 3.22Å
539R81.8Confident83.3Confident162 Ų16294.8 Ų94.861%0.61148%0.481SS*.Hα-helixtrans-68.6-36.6179.6-164.4172.7-175.4170.81.4112.2C535 R536 L537 W543C535-R539 WeakPolarHBondContact O-CB 3.25Å; C535-R539 PolarHBondContact O-N 3.38Å; R536-R539 PolarHBondContact O-N 3.34Å; L537-R539 PolarHBondContact O-N 3.37Å; R539-W543 WeakPolarHBondContact O-CB 3.43Å; R539-W543 PolarHBondContact O-N 3.13Å
540C84.5Confident83.6Confident77 Ų7796.4 Ų96.452%0.5250%0.497SS..Hα-helixtrans-64-47.1172.8-174.50000111.5R536 L537 W543 F544R536-C540 WeakPolarHBondContact O-CB 3.47Å; R536-C540 PolarHBondContact O-N 3.09Å; L537-C540 PolarHBondContact O-N 3.47Å; C540-W543 PolarHBondContact O-N 3.49Å; C540-F544 VanDerWaalsContact O-CB 3.32Å; C540-F544 WeakPolarHBondContact O-CB 3.42Å; C540-F544 PolarHBondContact O-N 3.33Å
541F84.2Confident84Confident144 Ų14496.8 Ų96.863%0.63250%0.501SS*.Hα-helixtrans-62.6-43.2177.1-176.7-94.3000112.1L537 R538 W543 F544 A545L537-F541 WeakPolarHBondContact O-CB 3.31Å; L537-F541 PolarHBondContact O-N 3.08Å; R538-F541 PolarHBondContact O-N 2.69Å; F541-W543 PolarHBondContact O-N 3.21Å; F541-F544 PolarHBondContact O-N 3.05Å; F541-A545 VanDerWaalsContact O-CB 3.24Å; F541-A545 WeakPolarHBondContact O-CB 3.5Å; F541-A545 PolarHBondContact O-N 3.02Å
542Q83.7Confident84.7Confident117 Ų117100.6 Ų100.655%0.54752%0.518SS..Hα-helixtrans-60.9-42.8174.6-75.4177.7-50.100112.3R538 G546R538-Q542 WeakPolarHBondContact O-CG 3.4Å; R538-Q542 PolarHBondContact O-N 3.22Å; Q542-G546 PolarHBondContact O-N 3.47Å; Q542-G546 VanDerWaalsContact O-N 3.07Å
543W84.7Confident85.3Confident183 Ų183105.6 Ų105.669%0.69353%0.53SS*.Hα-helixtrans-65.2-47.6176-178.882.8000111.8R539 C540 F541 A545 G546 V547R539-W543 WeakPolarHBondContact O-CB 3.43Å; R539-W543 PolarHBondContact O-N 3.13Å; C540-W543 PolarHBondContact O-N 3.49Å; F541-W543 PolarHBondContact O-N 3.21Å; W543-A545 PolarHBondContact O-N 3.45Å; W543-G546 PolarHBondContact O-N 2.88Å; W543-V547 HydrophobicContact CD2-CG2 4.21Å; W543-V547 HydrophobicContact CE3-CG2 4.43Å; W543-V547 HydrophobicContact CH2-CG2 4.24Å; W543-V547 HydrophobicContact CZ2-CG2 3.99Å; W543-V547 HydrophobicContact CZ3-CG2 4.45Å; W543-V547 WeakPolarHBondContact O-CG2 3.44Å; W543-V547 PolarHBondContact O-N 3.19Å
544F84.7Confident85.9Confident120 Ų120107.3 Ų107.353%0.52653%0.53SS..Hα-helixtrans-61.6-42.9178.4-178.3-99.1000112.3C540 F541 V547 C548C540-F544 VanDerWaalsContact O-CB 3.32Å; C540-F544 WeakPolarHBondContact O-CB 3.42Å; C540-F544 PolarHBondContact O-N 3.33Å; F541-F544 PolarHBondContact O-N 3.05Å; F544-V547 PolarHBondContact O-N 3.36Å; F544-C548 VanDerWaalsContact CE1-SG 3.54Å; F544-C548 PolarHBondContact O-N 2.99Å; F544-C548 PolarHBondContact O-SG 2.88Å
545A88.5Confident86.4Confident37 Ų37104.2 Ų104.231%0.30651%0.511SS..Hα-helixtrans-61.6-43.1174.500000111.6F541 W543 V547 C548 V549F541-A545 VanDerWaalsContact O-CB 3.24Å; F541-A545 WeakPolarHBondContact O-CB 3.5Å; F541-A545 PolarHBondContact O-N 3.02Å; W543-A545 PolarHBondContact O-N 3.45Å; A545-V547 PolarHBondContact O-N 2.97Å; A545-C548 PolarHBondContact O-N 3.25Å; A545-V549 WeakPolarHBondContact O-CG2 3.18Å; A545-V549 PolarHBondContact O-N 3.24Å
546G87Confident86.9Confident42 Ų42106 Ų10643%0.43352%0.519SS..Hα-helixtrans-59.8-43.4174.100000113Q542 W543 V549 A550Q542-G546 PolarHBondContact O-N 3.47Å; Q542-G546 VanDerWaalsContact O-N 3.07Å; W543-G546 PolarHBondContact O-N 2.88Å; G546-V549 PolarHBondContact O-N 3.31Å; G546-A550 WeakPolarHBondContact O-CB 3.43Å; G546-A550 PolarHBondContact O-N 3.49Å
547V86.5Confident87.4Confident67 Ų67103.2 Ų103.241%0.40652%0.517SS..Hα-helixtrans-63.6-42.7174.9172.40000111.5W543 F544 A545 A550 F551W543-V547 HydrophobicContact CD2-CG2 4.21Å; W543-V547 HydrophobicContact CE3-CG2 4.43Å; W543-V547 HydrophobicContact CH2-CG2 4.24Å; W543-V547 HydrophobicContact CZ2-CG2 3.99Å; W543-V547 HydrophobicContact CZ3-CG2 4.45Å; W543-V547 WeakPolarHBondContact O-CG2 3.44Å; W543-V547 PolarHBondContact O-N 3.19Å; F544-V547 PolarHBondContact O-N 3.36Å; A545-V547 PolarHBondContact O-N 2.97Å; V547-A550 PolarHBondContact O-N 3.25Å; V547-F551 WeakPolarHBondContact O-CB 3.21Å; V547-F551 PolarHBondContact O-N 3.35Å
548C88.5Confident87.8Confident55 Ų5599.7 Ų99.737%0.37250%0.502SS..Hα-helixtrans-64.2-42.3177.4-67.40000112.3F544 A545 F551 F552F544-C548 VanDerWaalsContact CE1-SG 3.54Å; F544-C548 PolarHBondContact O-N 2.99Å; F544-C548 PolarHBondContact O-SG 2.88Å; A545-C548 PolarHBondContact O-N 3.25Å; C548-F551 PolarHBondContact O-N 3.42Å; C548-F552 WeakPolarHBondContact O-CB 3.49Å; C548-F552 PolarHBondContact O-N 3.12Å
549V92.2Very high88.3Confident83 Ų8396.9 Ų96.950%0.50350%0.499SS..Hα-helixtrans-64-44.6175.7169.30000110.8A545 G546 F551 F552 W553A545-V549 WeakPolarHBondContact O-CG2 3.18Å; A545-V549 PolarHBondContact O-N 3.24Å; G546-V549 PolarHBondContact O-N 3.31Å; V549-F551 PolarHBondContact O-N 3.44Å; V549-F552 PolarHBondContact O-N 3.38Å; V549-W553 PolarHBondContact O-N 2.95Å
550A85.6Confident88.9Confident56 Ų5694 Ų9446%0.46350%0.495SS..Hα-helixtrans-60.8-43.6176.100000112.2G546 V547 W553 V554G546-A550 WeakPolarHBondContact O-CB 3.43Å; G546-A550 PolarHBondContact O-N 3.49Å; V547-A550 PolarHBondContact O-N 3.25Å; A550-W553 PolarHBondContact O-N 3.46Å; A550-V554 WeakPolarHBondContact O-CG2 3.46Å; A550-V554 PolarHBondContact O-N 3.03Å; A550-V554 VanDerWaalsContact O-N 3.1Å
551F88.8Confident89.3Confident144 Ų14494.9 Ų94.963%0.63249%0.493SS*.Hα-helixtrans-62.3-43.4176.1-176.4-99000112.2V547 C548 V549 W553 V554 V555V547-F551 WeakPolarHBondContact O-CB 3.21Å; V547-F551 PolarHBondContact O-N 3.35Å; C548-F551 PolarHBondContact O-N 3.42Å; V549-F551 PolarHBondContact O-N 3.44Å; F551-W553 PolarHBondContact O-N 2.9Å; F551-V554 PolarHBondContact O-N 3.03Å; F551-V555 HydrophobicContact CD1-CG2 4.17Å; F551-V555 HydrophobicContact CE1-CG2 3.76Å; F551-V555 HydrophobicContact CE2-CG2 4.42Å; F551-V555 HydrophobicContact CZ-CG2 3.9Å; F551-V555 WeakPolarHBondContact O-CG2 3.33Å; F551-V555 PolarHBondContact O-N 3.15Å
552F91.6Very high89.7Confident133 Ų13395.1 Ų95.158%0.58350%0.495SS*.Hα-helixtrans-58.6-45.4175.8177.8-94.8000112.3C548 V549 V554 V555 L556C548-F552 WeakPolarHBondContact O-CB 3.49Å; C548-F552 PolarHBondContact O-N 3.12Å; V549-F552 PolarHBondContact O-N 3.38Å; F552-V554 PolarHBondContact O-N 3.46Å; F552-V555 PolarHBondContact O-N 3.35Å; F552-L556 WeakPolarHBondContact O-CB 3.41Å; F552-L556 PolarHBondContact O-N 2.97Å
553W92.1Very high90.2Very high157 Ų15791.6 Ų91.660%0.59549%0.49SS*.Hα-helixtrans-62.8-40.2176.5-79.1112.2000112.9V549 A550 F551 L556 V557V549-W553 PolarHBondContact O-N 2.95Å; A550-W553 PolarHBondContact O-N 3.46Å; F551-W553 PolarHBondContact O-N 2.9Å; W553-L556 HydrophobicContact CE3-CD2 3.93Å; W553-L556 HydrophobicContact CZ3-CD2 3.8Å; W553-L556 PolarHBondContact O-N 3.5Å; W553-V557 WeakPolarHBondContact O-CG2 3.18Å; W553-V557 PolarHBondContact O-N 3.42Å
554V89Confident90.6Very high89 Ų8987.3 Ų87.354%0.53948%0.484SS..Hα-helixtrans-62.4-46.6175.2171.50000111A550 F551 F552 L556 V557 C558A550-V554 WeakPolarHBondContact O-CG2 3.46Å; A550-V554 PolarHBondContact O-N 3.03Å; A550-V554 VanDerWaalsContact O-N 3.1Å; F551-V554 PolarHBondContact O-N 3.03Å; F552-V554 PolarHBondContact O-N 3.46Å; V554-L556 VanDerWaalsContact C-N 3.34Å; V554-L556 PolarHBondContact O-N 2.88Å; V554-V557 PolarHBondContact O-N 2.94Å; V554-C558 PolarHBondContact O-N 3.09Å; V554-C558 PolarHBondContact O-SG 3.22Å; V554-C558 VanDerWaalsContact O-SG 3.37Å
555V89.5Confident91Very high58 Ų5885.1 Ų85.135%0.35248%0.483SS..Hα-helixtrans-61.2-42.3177.4172.90000111.4F551 F552 C558 L559F551-V555 HydrophobicContact CD1-CG2 4.17Å; F551-V555 HydrophobicContact CE1-CG2 3.76Å; F551-V555 HydrophobicContact CE2-CG2 4.42Å; F551-V555 HydrophobicContact CZ-CG2 3.9Å; F551-V555 WeakPolarHBondContact O-CG2 3.33Å; F551-V555 PolarHBondContact O-N 3.15Å; F552-V555 PolarHBondContact O-N 3.35Å; V555-C558 PolarHBondContact O-N 2.94Å; V555-L559 HydrophobicContact CG1-CD1 4.06Å; V555-L559 HydrophobicContact CG1-CG 4.41Å; V555-L559 WeakPolarHBondContact O-CG 3.45Å; V555-L559 PolarHBondContact O-N 2.72Å
556L93.7Very high91.2Very high64 Ų6490.3 Ų90.334%0.33550%0.495SS..Hα-helixtrans-61.2-45.5177.5-178.162.1000112.1F552 W553 V554 L559 I560F552-L556 WeakPolarHBondContact O-CB 3.41Å; F552-L556 PolarHBondContact O-N 2.97Å; W553-L556 HydrophobicContact CE3-CD2 3.93Å; W553-L556 HydrophobicContact CZ3-CD2 3.8Å; W553-L556 PolarHBondContact O-N 3.5Å; V554-L556 VanDerWaalsContact C-N 3.34Å; V554-L556 PolarHBondContact O-N 2.88Å; L556-L559 PolarHBondContact O-N 2.94Å; L556-I560 HydrophobicContact CD1-CD1 4.41Å; L556-I560 HydrophobicContact CG-CD1 4.19Å; L556-I560 WeakPolarHBondContact O-CG1 3.34Å; L556-I560 PolarHBondContact O-N 3.26Å
557V91.9Very high91.5Very high78 Ų7889.8 Ų89.847%0.47349%0.489SS..Hα-helixtrans-62.3-43.2176.3170.80000111.2W553 V554 L559 I560 I561W553-V557 WeakPolarHBondContact O-CG2 3.18Å; W553-V557 PolarHBondContact O-N 3.42Å; V554-V557 PolarHBondContact O-N 2.94Å; V557-L559 PolarHBondContact O-N 3.4Å; V557-I560 PolarHBondContact O-N 2.92Å; V557-I561 HydrophobicContact CG1-CD1 3.89Å; V557-I561 WeakPolarHBondContact O-CG1 3.33Å; V557-I561 PolarHBondContact O-N 3.32Å
558C91.8Very high91.8Very high56 Ų5690 Ų9038%0.37849%0.491SS..Hα-helixtrans-59.8-45.1174.9-70.70000112.2V554 V555 I560 I561 F562V554-C558 PolarHBondContact O-N 3.09Å; V554-C558 PolarHBondContact O-SG 3.22Å; V554-C558 VanDerWaalsContact O-SG 3.37Å; V555-C558 PolarHBondContact O-N 2.94Å; C558-I560 VanDerWaalsContact C-N 3.34Å; C558-I560 PolarHBondContact O-N 3.39Å; C558-I561 PolarHBondContact O-N 2.92Å; C558-F562 WeakPolarHBondContact O-CD2 3.21Å; C558-F562 PolarHBondContact O-N 3.32Å
559L93.8Very high91.9Very high112 Ų11294.3 Ų94.359%0.58650%0.5SS*.Hα-helixtrans-62.4-38.8178.3-72.6172.5000112.5V555 L556 V557 G563V555-L559 HydrophobicContact CG1-CD1 4.06Å; V555-L559 HydrophobicContact CG1-CG 4.41Å; V555-L559 WeakPolarHBondContact O-CG 3.45Å; V555-L559 PolarHBondContact O-N 2.72Å; L556-L559 PolarHBondContact O-N 2.94Å; V557-L559 PolarHBondContact O-N 3.4Å; L559-G563 PolarHBondContact O-N 2.99Å
560I95.3Very high91.9Very high101 Ų10193.7 Ų93.752%0.51849%0.494SS..Hα-helixtrans-63.1-46.6174.8-68.1164.8000110.6L556 V557 C558 G563 V564L556-I560 HydrophobicContact CD1-CD1 4.41Å; L556-I560 HydrophobicContact CG-CD1 4.19Å; L556-I560 WeakPolarHBondContact O-CG1 3.34Å; L556-I560 PolarHBondContact O-N 3.26Å; V557-I560 PolarHBondContact O-N 2.92Å; C558-I560 VanDerWaalsContact C-N 3.34Å; C558-I560 PolarHBondContact O-N 3.39Å; I560-G563 PolarHBondContact O-N 2.9Å; I560-V564 WeakPolarHBondContact O-CG2 3.32Å; I560-V564 PolarHBondContact O-N 2.93Å
561I91.8Very high92.2Very high96 Ų9696.2 Ų96.249%0.49250%0.499SS..Hα-helixtrans-61.3-48.7178.2-67166.2000110.8V557 C558 G563 V564 C565V557-I561 HydrophobicContact CG1-CD1 3.89Å; V557-I561 WeakPolarHBondContact O-CG1 3.33Å; V557-I561 PolarHBondContact O-N 3.32Å; C558-I561 PolarHBondContact O-N 2.92Å; I561-G563 VanDerWaalsContact C-N 3.32Å; I561-G563 PolarHBondContact O-N 3.36Å; I561-V564 PolarHBondContact O-N 3.32Å; I561-C565 WeakPolarHBondContact O-CB 3.43Å; I561-C565 PolarHBondContact O-N 3.47Å; I561-C565 PolarHBondContact O-SG 2.91Å; I561-C565 VanDerWaalsContact O-SG 3.36Å
562F93.4Very high92.3Very high149 Ų14997.9 Ų97.965%0.65450%0.501SS*.Hα-helixtrans-60.2-40.1176.4-81.4-64.4000112.4C558 C565 Y566C558-F562 WeakPolarHBondContact O-CD2 3.21Å; C558-F562 PolarHBondContact O-N 3.32Å; F562-C565 PolarHBondContact O-N 3.36Å; F562-Y566 VanDerWaalsContact O-CB 3.25Å; F562-Y566 WeakPolarHBondContact O-CB 3.47Å; F562-Y566 PolarHBondContact O-N 3.3Å
563G93.5Very high92.2Very high44 Ų4492.9 Ų92.945%0.45448%0.483SS..Hα-helixtrans-61.1-44.7175.500000113.1L559 I560 I561 Y566 G567L559-G563 PolarHBondContact O-N 2.99Å; I560-G563 PolarHBondContact O-N 2.9Å; I561-G563 VanDerWaalsContact C-N 3.32Å; I561-G563 PolarHBondContact O-N 3.36Å; G563-Y566 PolarHBondContact O-N 2.99Å; G563-G567 PolarHBondContact O-N 3.22Å
564V94.4Very high92.1Very high93 Ų9392.7 Ų92.756%0.56449%0.486SS*.Hα-helixtrans-65.3-47.2176.11730000111.1I560 I561 Y566 G567 V568I560-V564 WeakPolarHBondContact O-CG2 3.32Å; I560-V564 PolarHBondContact O-N 2.93Å; I561-V564 PolarHBondContact O-N 3.32Å; V564-Y566 VanDerWaalsContact C-N 3.34Å; V564-Y566 PolarHBondContact O-N 3.48Å; V564-G567 PolarHBondContact O-N 3.42Å; V564-V568 WeakPolarHBondContact O-CG2 3.24Å; V564-V568 PolarHBondContact O-N 2.92Å
565C92.4Very high92Very high74 Ų7495.7 Ų95.750%0.549%0.492SS..Hα-helixtrans-59.4-43.4177.1-710000112.1I561 F562 V568 Y569I561-C565 WeakPolarHBondContact O-CB 3.43Å; I561-C565 PolarHBondContact O-N 3.47Å; I561-C565 PolarHBondContact O-SG 2.91Å; I561-C565 VanDerWaalsContact O-SG 3.36Å; F562-C565 PolarHBondContact O-N 3.36Å; C565-V568 PolarHBondContact O-N 3.37Å; C565-Y569 WeakPolarHBondContact O-CB 3.43Å; C565-Y569 PolarHBondContact O-N 2.91Å
566Y93Very high91.8Very high146 Ų14697.5 Ų97.557%0.57350%0.499SS*.Hα-helixtrans-66.6-40177-174-115.4000112.2F562 G563 V564 Y569 L570F562-Y566 VanDerWaalsContact O-CB 3.25Å; F562-Y566 WeakPolarHBondContact O-CB 3.47Å; F562-Y566 PolarHBondContact O-N 3.3Å; G563-Y566 PolarHBondContact O-N 2.99Å; V564-Y566 VanDerWaalsContact C-N 3.34Å; V564-Y566 PolarHBondContact O-N 3.48Å; Y566-Y569 HydrophobicContact CD2-CD1 4.37Å; Y566-Y569 HydrophobicContact CE2-CD1 4.45Å; Y566-Y569 PolarHBondContact O-N 3.5Å; Y566-L570 HydrophobicContact CD1-CD1 3.99Å; Y566-L570 HydrophobicContact CE1-CD1 3.57Å; Y566-L570 HydrophobicContact CE1-CG 4.24Å; Y566-L570 HydrophobicContact CE2-CD2 4.46Å; Y566-L570 HydrophobicContact CE2-CG 4.37Å; Y566-L570 WeakPolarHBondContact O-CG 3.2Å; Y566-L570 PolarHBondContact O-N 3.44Å
567G92.4Very high91.5Very high30 Ų30101.9 Ų101.931%0.30951%0.511SS..Hα-helixtrans-59.7-46.2172.600000112.8G563 V564 L570 L571G563-G567 PolarHBondContact O-N 3.22Å; V564-G567 PolarHBondContact O-N 3.42Å; G567-L570 PolarHBondContact O-N 2.91Å; G567-L571 WeakPolarHBondContact O-CG 3.49Å; G567-L571 PolarHBondContact O-N 2.97Å
568V92.9Very high91.2Very high73 Ų73100.7 Ų100.744%0.44251%0.51SS..Hα-helixtrans-64.5-40.9175.8172.80000111.5V564 C565 L571 R572V564-V568 WeakPolarHBondContact O-CG2 3.24Å; V564-V568 PolarHBondContact O-N 2.92Å; C565-V568 PolarHBondContact O-N 3.37Å; V568-L571 PolarHBondContact O-N 3.44Å; V568-R572 PolarHBondContact O-N 2.92Å
569Y91.2Very high90.8Very high144 Ų144102.8 Ų102.857%0.56552%0.516SS*.Hα-helixtrans-59.3-48.4174.5171.2-98.2000111.8C565 Y566 L571 R572 C573C565-Y569 WeakPolarHBondContact O-CB 3.43Å; C565-Y569 PolarHBondContact O-N 2.91Å; Y566-Y569 HydrophobicContact CD2-CD1 4.37Å; Y566-Y569 HydrophobicContact CE2-CD1 4.45Å; Y566-Y569 PolarHBondContact O-N 3.5Å; Y569-L571 VanDerWaalsContact C-N 3.34Å; Y569-L571 PolarHBondContact O-N 2.9Å; Y569-R572 PolarHBondContact O-N 3.39Å; Y569-C573 VanDerWaalsContact CZ-SG 3.52Å; Y569-C573 PolarHBondContact O-N 3.28Å; Y569-C573 PolarHBondContact O-SG 3.08Å
570L91.7Very high90.2Very high70 Ų70102.5 Ų102.537%0.36651%0.512SS..Hα-helixtrans-62.7-38176.8-71.5178.6000112.5Y566 G567 C573 K574Y566-L570 HydrophobicContact CD1-CD1 3.99Å; Y566-L570 HydrophobicContact CE1-CD1 3.57Å; Y566-L570 HydrophobicContact CE1-CG 4.24Å; Y566-L570 HydrophobicContact CE2-CD2 4.46Å; Y566-L570 HydrophobicContact CE2-CG 4.37Å; Y566-L570 WeakPolarHBondContact O-CG 3.2Å; Y566-L570 PolarHBondContact O-N 3.44Å; G567-L570 PolarHBondContact O-N 2.91Å; L570-C573 PolarHBondContact O-N 2.98Å; L570-K574 WeakPolarHBondContact O-CB 3.42Å; L570-K574 WeakPolarHBondContact O-CG 3.38Å; L570-K574 PolarHBondContact O-N 3.29Å
571L92.6Very high89.7Confident110 Ų110106.5 Ų106.558%0.57652%0.521SS*.Hα-helixtrans-66.5-40.7174.7-73171.4000112.2G567 V568 Y569 K574 K575G567-L571 WeakPolarHBondContact O-CG 3.49Å; G567-L571 PolarHBondContact O-N 2.97Å; V568-L571 PolarHBondContact O-N 3.44Å; Y569-L571 VanDerWaalsContact C-N 3.34Å; Y569-L571 PolarHBondContact O-N 2.9Å; L571-K574 PolarHBondContact O-N 3.5Å; L571-K575 PolarHBondContact O-N 3.26Å
572R90Very high89.3Confident179 Ų179104.8 Ų104.868%0.67551%0.511SS*.Hα-helixtrans-62.5-48.9172.5-75.8-172.3175.9-155.2-0.3111.1V568 Y569 K574 K575 L576V568-R572 PolarHBondContact O-N 2.92Å; Y569-R572 PolarHBondContact O-N 3.39Å; R572-K574 VanDerWaalsContact C-N 3.29Å; R572-K574 PolarHBondContact O-N 2.93Å; R572-K575 PolarHBondContact O-N 3.26Å; R572-L576 WeakPolarHBondContact O-CD1 3.43Å; R572-L576 PolarHBondContact O-N 3.42Å
573C90.9Very high88.8Confident28 Ų28101.4 Ų101.419%0.18950%0.499CS..Hα-helixtrans-58.8-38.3177.3-67.20000112.8Y569 L570 R577Y569-C573 VanDerWaalsContact CZ-SG 3.52Å; Y569-C573 PolarHBondContact O-N 3.28Å; Y569-C573 PolarHBondContact O-SG 3.08Å; L570-C573 PolarHBondContact O-N 2.98Å; C573-R577 WeakPolarHBondContact O-CB 3.35Å; C573-R577 WeakPolarHBondContact O-CD 3.42Å; C573-R577 VanDerWaalsContact O-CG 3.24Å; C573-R577 WeakPolarHBondContact O-CG 3.45Å; C573-R577 PolarHBondContact O-N 3.05Å
574K89.1Confident88.5Confident153 Ų153102.5 Ų102.567%0.66550%0.499SS*.Hα-helixtrans-66.3-38.1173.5-76.6177.9178.1-177.80112.6L570 L571 R572 A578L570-K574 WeakPolarHBondContact O-CB 3.42Å; L570-K574 WeakPolarHBondContact O-CG 3.38Å; L570-K574 PolarHBondContact O-N 3.29Å; L571-K574 PolarHBondContact O-N 3.5Å; R572-K574 VanDerWaalsContact C-N 3.29Å; R572-K574 PolarHBondContact O-N 2.93Å; K574-A578 PolarHBondContact O-N 3.48Å
575K87.1Confident88.2Confident152 Ų152100.8 Ų100.866%0.66148%0.482SS*.Hα-helixtrans-70-45.8176.4-76.8-172.4174.8-170.90112.8L571 R572 R577 A578 L579L571-K575 PolarHBondContact O-N 3.26Å; R572-K575 PolarHBondContact O-N 3.26Å; K575-R577 PolarHBondContact O-N 2.97Å; K575-A578 WeakPolarHBondContact O-CB 3.39Å; K575-A578 PolarHBondContact O-N 3.4Å; K575-A578 VanDerWaalsContact O-N 3.08Å; K575-L579 PolarHBondContact O-N 3.34Å; K575-L579 VanDerWaalsContact O-N 3.13Å
576L85.4Confident87.9Confident96 Ų9697.4 Ų97.450%0.50346%0.46SS..Hα-helixtrans-58.6-49.5178-91.467.1000110.7R572 A578 L579 E580R572-L576 WeakPolarHBondContact O-CD1 3.43Å; R572-L576 PolarHBondContact O-N 3.42Å; L576-A578 PolarHBondContact O-N 2.91Å; L576-A578 VanDerWaalsContact O-N 3.09Å; L576-L579 PolarHBondContact O-N 3.45Å; L576-E580 WeakPolarHBondContact O-CG 3.32Å; L576-E580 PolarHBondContact O-N 3.49Å
577R86.2Confident87.4Confident155 Ų15595.5 Ų95.559%0.58545%0.451SS*.Hα-helixtrans-60.7-20.4175.6-68.1174.1-171.1-177.34.3114.7C573 K575 E580 R581C573-R577 WeakPolarHBondContact O-CB 3.35Å; C573-R577 WeakPolarHBondContact O-CD 3.42Å; C573-R577 VanDerWaalsContact O-CG 3.24Å; C573-R577 WeakPolarHBondContact O-CG 3.45Å; C573-R577 PolarHBondContact O-N 3.05Å; K575-R577 PolarHBondContact O-N 2.97Å; R577-E580 WeakPolarHBondContact CA-OE2 3.43Å; R577-R581 WeakPolarHBondContact O-CD 3.48Å; R577-R581 WeakPolarHBondContact O-CG 3.38Å; R577-R581 PolarHBondContact O-NE 3.44Å
578A85.8Confident87.3Confident54 Ų5499.1 Ų99.145%0.44646%0.46SS..Hα-helixtrans-80.6-42.6173.400000111.6K574 K575 L576 R581 Q582K574-A578 PolarHBondContact O-N 3.48Å; K575-A578 WeakPolarHBondContact O-CB 3.39Å; K575-A578 PolarHBondContact O-N 3.4Å; K575-A578 VanDerWaalsContact O-N 3.08Å; L576-A578 PolarHBondContact O-N 2.91Å; L576-A578 VanDerWaalsContact O-N 3.09Å; A578-R581 PolarHBondContact O-N 3.46Å; A578-Q582 PolarHBondContact O-N 3.39Å; A578-Q582 VanDerWaalsContact O-N 3.15Å
579L83.9Confident87Confident99 Ų9995.6 Ų95.652%0.51844%0.439SS..Hα-helixtrans-65.1-43.3174.7-67167.7000111.6K575 L576 R581 Q582 N583K575-L579 PolarHBondContact O-N 3.34Å; K575-L579 VanDerWaalsContact O-N 3.13Å; L576-L579 PolarHBondContact O-N 3.45Å; L579-R581 VanDerWaalsContact C-N 3.3Å; L579-R581 PolarHBondContact O-N 3.26Å; L579-Q582 PolarHBondContact O-N 2.94Å; L579-N583 WeakPolarHBondContact O-CB 3.36Å; L579-N583 VanDerWaalsContact O-CG 3.3Å; L579-N583 PolarHBondContact O-N 2.94Å; L579-N583 PolarHBondContact O-OD1 3.32Å
580E81.3Confident86.8Confident106 Ų10688.9 Ų88.950%0.49541%0.413SS..Hα-helixtrans-54-45.5174.2-73158.5-156.400111.8L576 R577 N583 C584L576-E580 WeakPolarHBondContact O-CG 3.32Å; L576-E580 PolarHBondContact O-N 3.49Å; R577-E580 WeakPolarHBondContact CA-OE2 3.43Å; E580-N583 PolarHBondContact O-N 3.05Å; E580-C584 PolarHBondContact O-N 3.33Å; E580-C584 PolarHBondContact O-SG 3.48Å
581R85.1Confident86.5Confident185 Ų18587.2 Ų87.270%0.69841%0.409SS*.Hα-helixtrans-64.1-44.6177.6-72.1166.6-173.5-172.4-2.5112.3R577 A578 L579 N583 C584 R585R577-R581 WeakPolarHBondContact O-CD 3.48Å; R577-R581 WeakPolarHBondContact O-CG 3.38Å; R577-R581 PolarHBondContact O-NE 3.44Å; A578-R581 PolarHBondContact O-N 3.46Å; L579-R581 VanDerWaalsContact C-N 3.3Å; L579-R581 PolarHBondContact O-N 3.26Å; R581-N583 VanDerWaalsContact C-N 3.33Å; R581-N583 PolarHBondContact O-N 2.99Å; R581-C584 PolarHBondContact O-N 3.37Å; R581-R585 WeakPolarHBondContact O-CB 3.3Å; R581-R585 PolarHBondContact O-N 3.03Å
582Q84.1Confident86.3Confident61 Ų6183.8 Ų83.829%0.28539%0.39SS..Hα-helixtrans-59.6-45.8175.3-176.5169.6-31.900110.6A578 L579 C584 R585 V586 L633A578-Q582 PolarHBondContact O-N 3.39Å; A578-Q582 VanDerWaalsContact O-N 3.15Å; L579-Q582 PolarHBondContact O-N 2.94Å; Q582-C584 VanDerWaalsContact C-N 3.33Å; Q582-C584 PolarHBondContact O-N 2.99Å; Q582-R585 PolarHBondContact O-N 3.48Å; Q582-V586 WeakPolarHBondContact O-CG2 3.3Å; Q582-V586 PolarHBondContact O-N 3.48Å; Q582-L633 HydrophobicContact CG-CD2 3.9Å
583N82.9Confident86.1Confident77 Ų7775.3 Ų75.341%0.41236%0.358SS..Hα-helixtrans-71.5-23.2179.6-66.34.8000113.4L579 E580 R581 R587L579-N583 WeakPolarHBondContact O-CB 3.36Å; L579-N583 VanDerWaalsContact O-CG 3.3Å; L579-N583 PolarHBondContact O-N 2.94Å; L579-N583 PolarHBondContact O-OD1 3.32Å; E580-N583 PolarHBondContact O-N 3.05Å; R581-N583 VanDerWaalsContact C-N 3.33Å; R581-N583 PolarHBondContact O-N 2.99Å; N583-R587 WeakPolarHBondContact O-CG 3.48Å; N583-R587 PolarHBondContact O-NE 3.18Å
584C86Confident85.7Confident67 Ų6774.8 Ų74.845%0.45335%0.354SS..Hα-helixtrans-70.4-49.6166.2-72.80000111.2E580 R581 Q582 V586 R587 E588E580-C584 PolarHBondContact O-N 3.33Å; E580-C584 PolarHBondContact O-SG 3.48Å; R581-C584 PolarHBondContact O-N 3.37Å; Q582-C584 VanDerWaalsContact C-N 3.33Å; Q582-C584 PolarHBondContact O-N 2.99Å; C584-V586 PolarHBondContact O-N 3.33Å; C584-R587 PolarHBondContact O-N 3.33Å; C584-R587 PolarHBondContact SG-NH2 3.3Å; C584-E588 PolarHBondContact O-N 3.05Å
585R87.9Confident85.5Confident57 Ų5770.9 Ų70.922%0.21534%0.338CS..Hα-helixtrans-65.1-39-177-170.360.3170.4155.99.3112.7R581 Q582 R587 E588 L589 H627 D629 L633R581-R585 WeakPolarHBondContact O-CB 3.3Å; R581-R585 PolarHBondContact O-N 3.03Å; Q582-R585 PolarHBondContact O-N 3.48Å; R585-R587 PolarHBondContact O-N 3.5Å; R585-E588 WeakPolarHBondContact CD-OE2 3.28Å; R585-E588 IonicContact CZ-OE2 2.74Å; R585-E588 IonicContact NE-OE2 2.69Å; R585-E588 IonicContact NH1-OE1 2.73Å; R585-E588 PolarHBondContact NH1-OE1 3.03Å; R585-E588 VanDerWaalsContact NH1-OE1 3.13Å; R585-E588 IonicContact NH1-OE2 2.95Å; R585-E588 PolarHBondContact NH1-OE2 3.46Å; R585-E588 WeakPolarHBondContact O-CB 3.44Å; R585-E588 PolarHBondContact O-N 3.01Å; R585-L589 HydrophobicContact CG-CD1 4.41Å; R585-L589 VanDerWaalsContact O-CG 3.31Å; R585-L589 WeakPolarHBondContact O-CG 3.39Å; R585-L589 PolarHBondContact O-N 3.19Å; R585-H627 PolarHBondContact NH2-ND1 3.39Å; R585-D629 WeakPolarHBondContact CG-OD2 3.34Å; R585-D629 IonicContact CZ-OD1 3.8Å; R585-D629 IonicContact CZ-OD2 3Å; R585-D629 IonicContact NE-OD1 2.68Å; R585-D629 IonicContact NE-OD2 3.46Å; R585-D629 PolarHBondContact NE-OD2 3Å; R585-D629 IonicContact NH2-OD1 2.69Å; R585-D629 PolarHBondContact NH2-OD1 3.27Å; R585-D629 IonicContact NH2-OD2 2.74Å; R585-D629 PolarHBondContact NH2-OD2 2.74Å; R585-L633 HydrophobicContact CB-CD1 4.12Å; R585-L633 HydrophobicContact CG-CD1 3.42Å; R585-L633 VanDerWaalsContact CG-CD1 3.42Å
586V86.6Confident85.4Confident3 Ų365 Ų652%0.01831%0.314CS..Hα-helixtrans-61.1-42.6173169.50000111.3Q582 C584 L589 V590 L633 E636 V637 Y640Q582-V586 WeakPolarHBondContact O-CG2 3.3Å; Q582-V586 PolarHBondContact O-N 3.48Å; C584-V586 PolarHBondContact O-N 3.33Å; V586-L589 PolarHBondContact O-N 3.35Å; V586-V590 HydrophobicContact CG1-CG2 4.43Å; V586-V590 WeakPolarHBondContact O-CB 3.25Å; V586-V590 VanDerWaalsContact O-CG2 3.25Å; V586-V590 WeakPolarHBondContact O-CG2 3.35Å; V586-V590 PolarHBondContact O-N 3.04Å; V586-L633 HydrophobicContact CG2-CB 4.5Å; V586-L633 HydrophobicContact CG2-CD2 4.34Å; V586-E636 HydrophobicContact CG1-CG 4.39Å; V586-E636 HydrophobicContact CG2-CB 3.9Å; V586-E636 HydrophobicContact CG2-CG 3.95Å; V586-V637 HydrophobicContact CB-CG2 4.5Å; V586-V637 HydrophobicContact CG1-CG2 4.08Å; V586-V637 HydrophobicContact CG2-CG2 4.42Å; V586-Y640 HydrophobicContact CG1-CD2 4.48Å; V586-Y640 HydrophobicContact CG1-CG 4.38Å
587R82.9Confident85.2Confident106 Ų10660.6 Ų60.640%0.429%0.291SS..Hα-helixtrans-67.8-34176.4-76.4179.5-68.1131.4-3.5113.5N583 C584 R585 A591 Y640N583-R587 WeakPolarHBondContact O-CG 3.48Å; N583-R587 PolarHBondContact O-NE 3.18Å; C584-R587 PolarHBondContact O-N 3.33Å; C584-R587 PolarHBondContact SG-NH2 3.3Å; R585-R587 PolarHBondContact O-N 3.5Å; R587-A591 WeakPolarHBondContact O-CB 3.23Å; R587-A591 PolarHBondContact O-N 3.46Å; R587-Y640 HydrophobicContact CG-CE1 4.41Å; R587-Y640 HydrophobicContact CG-CE2 4.09Å
588E88.9Confident84.8Confident106 Ų10656 Ų5650%0.49528%0.276SS..Hα-helixtrans-63.1-47.3172.8-172.2-172.5-179.300111C584 R585 A591 E592C584-E588 PolarHBondContact O-N 3.05Å; R585-E588 WeakPolarHBondContact CD-OE2 3.28Å; R585-E588 IonicContact CZ-OE2 2.74Å; R585-E588 IonicContact NE-OE2 2.69Å; R585-E588 IonicContact NH1-OE1 2.73Å; R585-E588 PolarHBondContact NH1-OE1 3.03Å; R585-E588 VanDerWaalsContact NH1-OE1 3.13Å; R585-E588 IonicContact NH1-OE2 2.95Å; R585-E588 PolarHBondContact NH1-OE2 3.46Å; R585-E588 WeakPolarHBondContact O-CB 3.44Å; R585-E588 PolarHBondContact O-N 3.01Å; E588-A591 PolarHBondContact O-N 3.18Å; E588-E592 PolarHBondContact O-N 3.19Å; E588-E592 VanDerWaalsContact O-N 3.1Å
589L88.4Confident84.6Confident0 Ų056.6 Ų56.60%027%0.272CS..Hα-helixtrans-64.4-39.3176.4-67.1168.5000112.4R585 V586 E592 V593 H627 L630 L633 V637R585-L589 HydrophobicContact CG-CD1 4.41Å; R585-L589 VanDerWaalsContact O-CG 3.31Å; R585-L589 WeakPolarHBondContact O-CG 3.39Å; R585-L589 PolarHBondContact O-N 3.19Å; V586-L589 PolarHBondContact O-N 3.35Å; L589-E592 PolarHBondContact O-N 3.27Å; L589-V593 WeakPolarHBondContact O-CG2 3.33Å; L589-V593 PolarHBondContact O-N 2.95Å; L589-H627 HydrophobicContact CD2-CB 3.97Å; L589-H627 VanDerWaalsContact CD2-CD2 3.43Å; L589-H627 WeakPolarHBondContact CD2-CD2 3.38Å; L589-L630 HydrophobicContact CD1-CD1 4.1Å; L589-L630 HydrophobicContact CD2-CD1 4.02Å; L589-L633 HydrophobicContact CD1-CB 4.02Å; L589-L633 HydrophobicContact CD1-CD1 3.75Å; L589-V637 HydrophobicContact CB-CG2 3.87Å; L589-V637 HydrophobicContact CD1-CG2 4Å
590V86.6Confident84.1Confident3 Ų352.6 Ų52.62%0.01825%0.25CS..Hα-helixtrans-66.5-39.2174.6169.20000111.7V586 E592 V593 V594 V637 Y640 V641 E645V586-V590 HydrophobicContact CG1-CG2 4.43Å; V586-V590 WeakPolarHBondContact O-CB 3.25Å; V586-V590 VanDerWaalsContact O-CG2 3.25Å; V586-V590 WeakPolarHBondContact O-CG2 3.35Å; V586-V590 PolarHBondContact O-N 3.04Å; V590-E592 PolarHBondContact O-N 2.9Å; V590-V593 WeakPolarHBondContact O-CB 3.37Å; V590-V593 PolarHBondContact O-N 3.47Å; V590-V594 WeakPolarHBondContact O-CG2 3.35Å; V590-V594 PolarHBondContact O-N 3.07Å; V590-V637 HydrophobicContact CG2-CG1 3.95Å; V590-Y640 HydrophobicContact CB-CD1 4.22Å; V590-Y640 HydrophobicContact CG1-CD1 3.87Å; V590-Y640 HydrophobicContact CG1-CE1 4.08Å; V590-Y640 HydrophobicContact CG2-CD1 3.76Å; V590-Y640 HydrophobicContact CG2-CG 4.24Å; V590-V641 HydrophobicContact CG2-CG2 4.4Å; V590-E645 HydrophobicContact CG1-CG 3.65Å
591A85Confident83.6Confident35 Ų3549.1 Ų49.129%0.28924%0.235SC..Hα-helixtrans-61.2-35.8173.200000111.5R587 E588 V594 H595R587-A591 WeakPolarHBondContact O-CB 3.23Å; R587-A591 PolarHBondContact O-N 3.46Å; E588-A591 PolarHBondContact O-N 3.18Å; A591-V594 WeakPolarHBondContact O-CB 3.2Å; A591-V594 PolarHBondContact O-N 3.41Å; A591-H595 PolarHBondContact O-CD2 3.11Å; A591-H595 PolarHBondContact O-N 3.39Å
592E87.4Confident82.9Confident38 Ų3848.3 Ų48.318%0.17823%0.232CC..Hα-helixtrans-73.3-34.8173.8-169.9163.3-179.100113.5E588 L589 V590 V594 H595 L596 L623 K626 H627E588-E592 PolarHBondContact O-N 3.19Å; E588-E592 VanDerWaalsContact O-N 3.1Å; L589-E592 PolarHBondContact O-N 3.27Å; V590-E592 PolarHBondContact O-N 2.9Å; E592-V594 VanDerWaalsContact C-N 3.26Å; E592-V594 PolarHBondContact O-N 3.37Å; E592-H595 PolarHBondContact O-N 3.1Å; E592-L596 HydrophobicContact CG-CD1 4.3Å; E592-L596 HydrophobicContact CG-CG 4.46Å; E592-L596 WeakPolarHBondContact O-CB 3.42Å; E592-L596 WeakPolarHBondContact O-CG 3.42Å; E592-L596 PolarHBondContact O-N 3.29Å; E592-L623 HydrophobicContact CB-CD2 3.92Å; E592-L623 HydrophobicContact CG-CD2 3.67Å; E592-K626 WeakPolarHBondContact OE1-CD 3.42Å; E592-K626 WeakPolarHBondContact OE1-CE 3.24Å; E592-K626 IonicContact OE1-NZ 3.64Å; E592-K626 PolarHBondContact OE1-NZ 3.49Å; E592-K626 IonicContact OE2-NZ 2.76Å; E592-K626 PolarHBondContact OE2-NZ 3.12Å; E592-H627 IonicContact OE2-CD2 3.29Å; E592-H627 IonicContact OE2-CE1 3.69Å; E592-H627 IonicContact OE2-NE2 3.33Å; E592-H627 PolarHBondContact OE2-NE2 3.31Å
593V87Confident82.5Confident0 Ų050 Ų500%024%0.24CC..Hα-helixtrans-55.1-45.4166.3170.80000110.3L589 V590 L596 L597 I619 L623 V637 I648 W660L589-V593 WeakPolarHBondContact O-CG2 3.33Å; L589-V593 PolarHBondContact O-N 2.95Å; V590-V593 WeakPolarHBondContact O-CB 3.37Å; V590-V593 PolarHBondContact O-N 3.47Å; V593-L596 PolarHBondContact O-N 3.22Å; V593-L597 HydrophobicContact CG1-CD1 3.87Å; V593-L597 HydrophobicContact CG1-CG 4.43Å; V593-L597 VanDerWaalsContact O-CG 3.31Å; V593-L597 WeakPolarHBondContact O-CG 3.45Å; V593-L597 PolarHBondContact O-N 3.49Å; V593-I619 HydrophobicContact CG1-CG2 4.23Å; V593-I619 HydrophobicContact CG2-CG2 4.06Å; V593-L623 HydrophobicContact CG2-CD1 3.53Å; V593-V637 HydrophobicContact CG2-CG1 4.34Å; V593-I648 HydrophobicContact CG1-CD1 3.83Å; V593-W660 HydrophobicContact CG1-CE3 3.59Å; V593-W660 HydrophobicContact CG1-CZ3 3.65Å; V593-W660 HydrophobicContact CG2-CZ3 4.03Å
594V82.7Confident81.7Confident17 Ų1747.2 Ų47.210%0.10323%0.225CC..Hα-helixtrans-63.1-46.2179.2164.30000111.6V590 A591 E592 L597 Q598 I648 W662V590-V594 WeakPolarHBondContact O-CG2 3.35Å; V590-V594 PolarHBondContact O-N 3.07Å; A591-V594 WeakPolarHBondContact O-CB 3.2Å; A591-V594 PolarHBondContact O-N 3.41Å; E592-V594 VanDerWaalsContact C-N 3.26Å; E592-V594 PolarHBondContact O-N 3.37Å; V594-L597 PolarHBondContact O-N 3.48Å; V594-Q598 VanDerWaalsContact CG1-NE2 3.29Å; V594-Q598 WeakPolarHBondContact O-CB 3.32Å; V594-Q598 VanDerWaalsContact O-CG 3.28Å; V594-Q598 WeakPolarHBondContact O-CG 3.33Å; V594-Q598 PolarHBondContact O-N 2.93Å; V594-I648 HydrophobicContact CG2-CD1 4.02Å; V594-I648 HydrophobicContact CG2-CG1 4.48Å; V594-W662 HydrophobicContact CB-CZ3 4.14Å; V594-W662 HydrophobicContact CG1-CE3 4.02Å; V594-W662 HydrophobicContact CG1-CH2 3.77Å; V594-W662 HydrophobicContact CG1-CZ3 3.4Å; V594-W662 VanDerWaalsContact CG1-CZ3 3.4Å; V594-W662 HydrophobicContact CG2-CE3 4.35Å; V594-W662 HydrophobicContact CG2-CZ3 3.79Å
595H84.5Confident80.8Confident72 Ų7251.7 Ų51.733%0.33324%0.239SC..Hα-helixtrans-61.3-48.4175.2-79-65.8000111.9Y192 A591 E592 L597 Q598 D599Y192-H595 AromaticContact CE2-CE1 3.88Å; A591-H595 PolarHBondContact O-CD2 3.11Å; A591-H595 PolarHBondContact O-N 3.39Å; E592-H595 PolarHBondContact O-N 3.1Å; H595-L597 VanDerWaalsContact C-N 3.3Å; H595-L597 PolarHBondContact O-N 2.97Å; H595-Q598 PolarHBondContact O-N 3.44Å; H595-D599 PolarHBondContact O-N 2.83Å
596L84Confident80Confident29 Ų2953.4 Ų53.415%0.15227%0.266CS..Hα-helixtrans-55.7-42.6176.5-75.2167.9000112.4E592 V593 Q600 R622 L623E592-L596 HydrophobicContact CG-CD1 4.3Å; E592-L596 HydrophobicContact CG-CG 4.46Å; E592-L596 WeakPolarHBondContact O-CB 3.42Å; E592-L596 WeakPolarHBondContact O-CG 3.42Å; E592-L596 PolarHBondContact O-N 3.29Å; V593-L596 PolarHBondContact O-N 3.22Å; L596-Q600 VanDerWaalsContact O-CG 3.24Å; L596-Q600 WeakPolarHBondContact O-CG 3.43Å; L596-Q600 PolarHBondContact O-N 3.47Å; L596-Q600 VanDerWaalsContact O-N 3.11Å; L596-R622 HydrophobicContact CD1-CB 4.34Å; L596-L623 HydrophobicContact CD1-CD1 4.42Å; L596-L623 HydrophobicContact CD1-CD2 4.05Å; L596-L623 HydrophobicContact CD1-CG 3.87Å
597L82.4Confident79.1Confident2 Ų256.7 Ų56.71%0.0128%0.283CS..Hα-helixtrans-72-30.9177.8-68.6171.4000113.3V593 V594 H595 L601 V614 I619 I648 W660 W662V593-L597 HydrophobicContact CG1-CD1 3.87Å; V593-L597 HydrophobicContact CG1-CG 4.43Å; V593-L597 VanDerWaalsContact O-CG 3.31Å; V593-L597 WeakPolarHBondContact O-CG 3.45Å; V593-L597 PolarHBondContact O-N 3.49Å; V594-L597 PolarHBondContact O-N 3.48Å; H595-L597 VanDerWaalsContact C-N 3.3Å; H595-L597 PolarHBondContact O-N 2.97Å; L597-L601 PolarHBondContact O-N 3.06Å; L597-V614 HydrophobicContact CD2-CB 3.76Å; L597-V614 HydrophobicContact CD2-CG2 3.75Å; L597-I619 HydrophobicContact CD2-CD1 3.74Å; L597-I619 HydrophobicContact CG-CD1 4.35Å; L597-I648 HydrophobicContact CD1-CD1 3.99Å; L597-I648 HydrophobicContact CD1-CG1 3.91Å; L597-I648 HydrophobicContact CD1-CG2 3.94Å; L597-W660 HydrophobicContact CD1-CB 3.98Å; L597-W660 HydrophobicContact CD2-CB 4.13Å; L597-W660 WeakPolarHBondContact CD2-O 3.37Å; L597-W662 HydrophobicContact CB-CB 3.77Å
598Q77.7Confident78.2Confident58 Ų5856.4 Ų56.427%0.27130%0.303SS..Hα-helixtrans-70.7-43.5174.1-74.8172.27.200111.7V594 H595 L601 R602 W662V594-Q598 VanDerWaalsContact CG1-NE2 3.29Å; V594-Q598 WeakPolarHBondContact O-CB 3.32Å; V594-Q598 VanDerWaalsContact O-CG 3.28Å; V594-Q598 WeakPolarHBondContact O-CG 3.33Å; V594-Q598 PolarHBondContact O-N 2.93Å; H595-Q598 PolarHBondContact O-N 3.44Å; Q598-L601 PolarHBondContact O-N 3.07Å; Q598-R602 PolarHBondContact O-N 3.27Å; Q598-W662 HydrophobicContact CG-CD2 3.87Å; Q598-W662 HydrophobicContact CG-CE3 4.46Å; Q598-W662 HydrophobicContact CG-CG 4.06Å; Q598-W662 HydrophobicContact CG-CZ2 4.24Å; Q598-W662 VanDerWaalsContact NE2-CH2 3.31Å
599D80.7Confident77.1Confident67 Ų6758.5 Ų58.536%0.35832%0.318SS..Hα-helixtrans-67-42.3-180-67.2-34.2000111.1H595 L601 R602 E603H595-D599 PolarHBondContact O-N 2.83Å; D599-L601 VanDerWaalsContact C-N 3.27Å; D599-L601 PolarHBondContact O-N 3.41Å; D599-R602 PolarHBondContact O-N 2.84Å; D599-R602 VanDerWaalsContact O-N 3.13Å; D599-R602 IonicContact OD1-NH1 3.24Å; D599-E603 WeakPolarHBondContact O-CG 3.36Å; D599-E603 PolarHBondContact O-N 2.92Å
600Q73.8Confident76Confident16 Ų1662.8 Ų62.88%0.07534%0.338CS..Hα-helixtrans-62.1-30.8172.6-65.3-60.8-102.800113.2L596 E603 N604 V614L596-Q600 VanDerWaalsContact O-CG 3.24Å; L596-Q600 WeakPolarHBondContact O-CG 3.43Å; L596-Q600 PolarHBondContact O-N 3.47Å; L596-Q600 VanDerWaalsContact O-N 3.11Å; Q600-E603 PolarHBondContact NE2-OE1 3.29Å; Q600-E603 PolarHBondContact NE2-OE2 2.83Å; Q600-N604 WeakPolarHBondContact O-CB 3.42Å; Q600-N604 PolarHBondContact O-N 2.96Å; Q600-N604 PolarHBondContact O-ND2 3.4Å; Q600-N604 PolarHBondContact O-OD1 3.48Å; Q600-V614 HydrophobicContact CB-CG2 3.88Å; Q600-V614 HydrophobicContact CG-CG2 4.03Å
601L70.4Confident75Confident32 Ų3265.4 Ų65.417%0.16836%0.355CS..Hα-helixtrans-72.1-37.9172.4-78.1-179.3000112.6L597 Q598 D599 E603 N604 E605 W662L597-L601 PolarHBondContact O-N 3.06Å; Q598-L601 PolarHBondContact O-N 3.07Å; D599-L601 VanDerWaalsContact C-N 3.27Å; D599-L601 PolarHBondContact O-N 3.41Å; L601-E603 VanDerWaalsContact C-N 3.29Å; L601-E603 PolarHBondContact O-N 3.45Å; L601-N604 CarbonylContact O-C 3.59Å; L601-N604 PolarHBondContact O-N 3.21Å; L601-E605 WeakPolarHBondContact O-CB 3.36Å; L601-E605 WeakPolarHBondContact O-CG 3.43Å; L601-E605 PolarHBondContact O-N 3.27Å; L601-W662 HydrophobicContact CD1-CB 3.69Å; L601-W662 HydrophobicContact CD1-CG 4.07Å; L601-W662 WeakPolarHBondContact CD1-O 3.43Å
602R71.6Confident74.1Confident168 Ų16866.9 Ų66.963%0.63436%0.361SS*.Hα-helixtrans-63.3-37173.7179.8179.9-73144.4-3.6111.7Q598 D599 A606Q598-R602 PolarHBondContact O-N 3.27Å; D599-R602 PolarHBondContact O-N 2.84Å; D599-R602 VanDerWaalsContact O-N 3.13Å; D599-R602 IonicContact OD1-NH1 3.24Å; R602-A606 PolarHBondContact O-N 3.04Å
603E74.5Confident73.4Confident96 Ų9667.6 Ų67.645%0.44936%0.363SS..Hα-helixtrans-64.8-47.6172.2-71.2167.2-150.200111.2D599 Q600 L601 E605 A606 D607D599-E603 WeakPolarHBondContact O-CG 3.36Å; D599-E603 PolarHBondContact O-N 2.92Å; Q600-E603 PolarHBondContact NE2-OE1 3.29Å; Q600-E603 PolarHBondContact NE2-OE2 2.83Å; L601-E603 VanDerWaalsContact C-N 3.29Å; L601-E603 PolarHBondContact O-N 3.45Å; E603-E605 VanDerWaalsContact C-N 3.31Å; E603-E605 PolarHBondContact O-N 3.48Å; E603-A606 WeakPolarHBondContact O-CB 3.47Å; E603-A606 PolarHBondContact O-N 3.07Å; E603-D607 PolarHBondContact O-N 2.95Å
604N67.1Low73.1Confident19 Ų1968.4 Ų68.410%0.10237%0.368CS..Hα-helixtrans-67-25.3176.8-68.6-10.6000114Q600 L601 A606 D607 Q610 P611Q600-N604 WeakPolarHBondContact O-CB 3.42Å; Q600-N604 PolarHBondContact O-N 2.96Å; Q600-N604 PolarHBondContact O-ND2 3.4Å; Q600-N604 PolarHBondContact O-OD1 3.48Å; L601-N604 CarbonylContact O-C 3.59Å; L601-N604 PolarHBondContact O-N 3.21Å; N604-A606 VanDerWaalsContact C-N 3.26Å; N604-D607 CarbonylContact O-C 3.54Å; N604-Q610 WeakPolarHBondContact OD1-CB 3.46Å; N604-Q610 WeakPolarHBondContact OD1-CG 3.46Å; N604-P611 PolarHBondContact ND2-O 3.2Å
605E66.7Low73.1Confident162 Ų16268.6 Ų68.676%0.75737%0.369SS*.Hα-helixtrans-72.5-20.7171.5-79.7176.6176.600112L601 E603L601-E605 WeakPolarHBondContact O-CB 3.36Å; L601-E605 WeakPolarHBondContact O-CG 3.43Å; L601-E605 PolarHBondContact O-N 3.27Å; E603-E605 VanDerWaalsContact C-N 3.31Å; E603-E605 PolarHBondContact O-N 3.48Å
606A71.1Confident73.1Confident93 Ų9365.9 Ų65.977%0.76936%0.358SS*.Hα-helixtrans-90-35.4174.100000113.1R602 E603 N604R602-A606 PolarHBondContact O-N 3.04Å; E603-A606 WeakPolarHBondContact O-CB 3.47Å; E603-A606 PolarHBondContact O-N 3.07Å; N604-A606 VanDerWaalsContact C-N 3.26Å
607D67.5Low73.1Confident72 Ų7271.5 Ų71.539%0.38538%0.378SS..  trans-119.397.3172.1-168.3-13.4000112E603 N604 N609 Q610E603-D607 PolarHBondContact O-N 2.95Å; N604-D607 CarbonylContact O-C 3.54Å; D607-N609 PolarHBondContact O-N 3.43Å; D607-N609 WeakPolarHBondContact OD1-CB 3.24Å; D607-N609 PolarHBondContact OD1-N 3.02Å; D607-N609 PolarHBondContact OD1-ND2 3.39Å; D607-Q610 PolarHBondContact O-N 3.4Å; D607-Q610 VanDerWaalsContact O-N 3.15Å
608A65.1Low73.2Confident99 Ų9975 Ų7582%0.81840%0.395SS*.THydrogen-bonded Turntrans-64.2-4.6-178.200000115
609N65.4Low73.6Confident150 Ų15072.3 Ų72.380%0.80238%0.383SS*.THydrogen-bonded Turntrans-82-14.2175.1-59.3-75.7000113.1D607D607-N609 PolarHBondContact O-N 3.43Å; D607-N609 WeakPolarHBondContact OD1-CB 3.24Å; D607-N609 PolarHBondContact OD1-N 3.02Å; D607-N609 PolarHBondContact OD1-ND2 3.39Å
610Q65.9Low74Confident91 Ų9173.7 Ų73.743%0.42538%0.383SS..SBendtrans-94.1136.6-169.6-159.3163.3-25.500112.1N604 D607N604-Q610 WeakPolarHBondContact OD1-CB 3.46Å; N604-Q610 WeakPolarHBondContact OD1-CG 3.46Å; D607-Q610 PolarHBondContact O-N 3.4Å; D607-Q610 VanDerWaalsContact O-N 3.15Å
611P64.9Low74.6Confident58 Ų5876.1 Ų76.138%0.37739%0.394SS..  trans-67.3137.8-169.923.2-33.4000113.1N604 Y613N604-P611 PolarHBondContact ND2-O 3.2Å; P611-Y613 HydrophobicContact CB-CD1 3.91Å; P611-Y613 HydrophobicContact CB-CD2 4.37Å; P611-Y613 HydrophobicContact CB-CE1 3.52Å; P611-Y613 HydrophobicContact CB-CE2 4.02Å; P611-Y613 HydrophobicContact CB-CG 4.32Å; P611-Y613 HydrophobicContact CG-CE2 4.38Å; P611-Y613 PolarHBondContact O-N 2.73Å
612P66.7Low75.4Confident65 Ų6579 Ų7942%0.42240%0.403SS..SBendtrans-77.823.3-175.535.1-39.1000113.8Q661P612-Q661 WeakPolarHBondContact O-CG 3.46Å; P612-Q661 PolarHBondContact O-NE2 3.43Å
613Y71.7Confident76.2Confident54 Ų5471 Ų7121%0.21237%0.373CS..  trans-133.5138-178.357.3-103.4000110.1P611 W653 T659P611-Y613 HydrophobicContact CB-CD1 3.91Å; P611-Y613 HydrophobicContact CB-CD2 4.37Å; P611-Y613 HydrophobicContact CB-CE1 3.52Å; P611-Y613 HydrophobicContact CB-CE2 4.02Å; P611-Y613 HydrophobicContact CB-CG 4.32Å; P611-Y613 HydrophobicContact CG-CE2 4.38Å; P611-Y613 PolarHBondContact O-N 2.73Å; Y613-W653 AromaticContact CD1-CD2 3.62Å; Y613-W653 HydrophobicContact CD1-CD2 3.62Å; Y613-W653 AromaticContact CD1-CE2 3.46Å; Y613-W653 VanDerWaalsContact CD1-CE2 3.46Å; Y613-W653 AromaticContact CD1-CE3 3.9Å; Y613-W653 HydrophobicContact CD1-CE3 3.9Å; Y613-W653 HydrophobicContact CD1-CG 4.24Å; Y613-W653 AromaticContact CD1-CH2 3.91Å; Y613-W653 HydrophobicContact CD1-CH2 3.91Å; Y613-W653 AromaticContact CD1-CZ2 3.62Å; Y613-W653 HydrophobicContact CD1-CZ2 3.62Å; Y613-W653 HydrophobicContact CD1-CZ3 4.04Å; Y613-W653 AromaticContact CD1-NE1 3.95Å; Y613-W653 HydrophobicContact CD2-CG 4.35Å; Y613-W653 AromaticContact CE1-CD2 3.58Å; Y613-W653 HydrophobicContact CE1-CD2 3.58Å; Y613-W653 AromaticContact CE1-CE2 3.9Å; Y613-W653 AromaticContact CE1-CE3 3.42Å; Y613-W653 HydrophobicContact CE1-CE3 3.42Å; Y613-W653 VanDerWaalsContact CE1-CE3 3.42Å; Y613-W653 HydrophobicContact CE1-CG 4.28Å; Y613-W653 AromaticContact CE1-CH2 3.97Å; Y613-W653 HydrophobicContact CE1-CH2 3.97Å; Y613-W653 HydrophobicContact CE1-CZ2 4.1Å; Y613-W653 AromaticContact CE1-CZ3 3.63Å; Y613-W653 HydrophobicContact CE1-CZ3 3.63Å; Y613-W653 HydrophobicContact CE2-CG 4.42Å; Y613-W653 HydrophobicContact CG-CD2 4.13Å; Y613-W653 AromaticContact CG-CE2 3.95Å; Y613-W653 HydrophobicContact CG-CG 4.28Å; Y613-W653 HydrophobicContact CG-CZ2 4.44Å; Y613-W653 AromaticContact CG-NE1 3.95Å; Y613-W653 AromaticContact CZ-CE3 3.96Å; Y613-T659 HydrophobicContact CD2-CG2 3.76Å; Y613-T659 HydrophobicContact CE2-CG2 4.47Å; Y613-T659 HydrophobicContact CG-CG2 4.35Å
614V80.5Confident76.8Confident17 Ų1771.7 Ų71.710%0.10337%0.371CS..EExtended strand (participates in β ladder)trans-110122.9179.6-170.60000109.3L597 Q600 V616 M618 I619 T659 W660L597-V614 HydrophobicContact CD2-CB 3.76Å; L597-V614 HydrophobicContact CD2-CG2 3.75Å; Q600-V614 HydrophobicContact CB-CG2 3.88Å; Q600-V614 HydrophobicContact CG-CG2 4.03Å; V614-V616 PolarHBondContact O-N 2.9Å; V614-M618 HydrophobicContact CG1-CB 4.46Å; V614-I619 HydrophobicContact CB-CD1 4.14Å; V614-I619 HydrophobicContact CB-CG1 4.27Å; V614-I619 HydrophobicContact CG1-CD1 4.04Å; V614-I619 HydrophobicContact CG1-CG1 3.61Å; V614-T659 CarbonylContact O-C 3.59Å; V614-T659 VanDerWaalsContact O-CA 3.3Å; V614-T659 WeakPolarHBondContact O-CA 3.42Å; V614-T659 WeakPolarHBondContact O-CB 3.39Å; V614-W660 PolarHBondContact N-O 3.38Å; V614-W660 PolarHBondContact O-N 2.89Å
615P83.1Confident77.8Confident20 Ų2077.9 Ų77.913%0.1340%0.399CS..EExtended strand (participates in β ladder)trans-62.8136.9179.4-20.531.5000111.9Y617 M618 I619 V656P615-Y617 HydrophobicContact CB-CD1 3.52Å; P615-Y617 HydrophobicContact CB-CE1 3.27Å; P615-Y617 HydrophobicContact CB-CG 4.39Å; P615-Y617 HydrophobicContact CG-CE1 3.97Å; P615-Y617 PolarHBondContact O-N 2.65Å; P615-Y617 VanDerWaalsContact O-N 3.14Å; P615-M618 HydrophobicContact CB-CG 4.21Å; P615-M618 HydrophobicContact CG-CG 4.22Å; P615-M618 WeakPolarHBondContact O-CB 3.42Å; P615-M618 PolarHBondContact O-N 3.47Å; P615-I619 PolarHBondContact O-N 3.48Å; P615-V656 HydrophobicContact CB-CG1 3.84Å; P615-V656 HydrophobicContact CG-CG1 3.64Å
616V84.8Confident78.7Confident16 Ų1676.4 Ų76.410%0.09739%0.39CS..Hα-helixtrans-59.8-31.2-176.2173.90000112.2V614 I619 R620 W634 E658 W660V614-V616 PolarHBondContact O-N 2.9Å; V616-I619 PolarHBondContact O-N 2.86Å; V616-R620 WeakPolarHBondContact O-CB 3.44Å; V616-R620 PolarHBondContact O-N 3.09Å; V616-W634 HydrophobicContact CG1-CZ2 3.73Å; V616-E658 HydrophobicContact CB-CB 4.22Å; V616-E658 HydrophobicContact CG2-CB 3.73Å; V616-E658 WeakPolarHBondContact CG2-O 3.41Å; V616-E658 PolarHBondContact N-O 3.33Å; V616-W660 HydrophobicContact CG1-CH2 4.46Å; V616-W660 HydrophobicContact CG1-CZ2 4.09Å; V616-W660 VanDerWaalsContact CG2-CD1 3.46Å; V616-W660 HydrophobicContact CG2-CD2 3.83Å; V616-W660 HydrophobicContact CG2-CG 3.75Å; V616-W660 HydrophobicContact CG2-CZ2 4.29Å
617Y83.3Confident79.5Confident146 Ų14672.7 Ų72.757%0.57336%0.357SS*.Hα-helixtrans-65.9-35.5175.175.9-96.3000113P615 E621P615-Y617 HydrophobicContact CB-CD1 3.52Å; P615-Y617 HydrophobicContact CB-CE1 3.27Å; P615-Y617 HydrophobicContact CB-CG 4.39Å; P615-Y617 HydrophobicContact CG-CE1 3.97Å; P615-Y617 PolarHBondContact O-N 2.65Å; P615-Y617 VanDerWaalsContact O-N 3.14Å; Y617-E621 WeakPolarHBondContact O-CB 3.34Å; Y617-E621 PolarHBondContact O-N 2.86Å
618M84.2Confident80.3Confident75 Ų7578 Ų7837%0.36938%0.379SS..Hα-helixtrans-68.6-40177.2-70.4-63.4-69.900111.4V614 P615 E621 R622V614-M618 HydrophobicContact CG1-CB 4.46Å; P615-M618 HydrophobicContact CB-CG 4.21Å; P615-M618 HydrophobicContact CG-CG 4.22Å; P615-M618 WeakPolarHBondContact O-CB 3.42Å; P615-M618 PolarHBondContact O-N 3.47Å; M618-E621 PolarHBondContact O-N 3.39Å; M618-R622 WeakPolarHBondContact O-CG 3.43Å; M618-R622 PolarHBondContact O-N 3.05Å
619I86.1Confident81.3Confident3 Ų376 Ų762%0.01536%0.355CS..Hα-helixtrans-64.4-47.6177.1-55.7171.3000109.7V593 L597 V614 P615 V616 E621 L623 W660V593-I619 HydrophobicContact CG1-CG2 4.23Å; V593-I619 HydrophobicContact CG2-CG2 4.06Å; L597-I619 HydrophobicContact CD2-CD1 3.74Å; L597-I619 HydrophobicContact CG-CD1 4.35Å; V614-I619 HydrophobicContact CB-CD1 4.14Å; V614-I619 HydrophobicContact CB-CG1 4.27Å; V614-I619 HydrophobicContact CG1-CD1 4.04Å; V614-I619 HydrophobicContact CG1-CG1 3.61Å; P615-I619 PolarHBondContact O-N 3.48Å; V616-I619 PolarHBondContact O-N 2.86Å; I619-E621 VanDerWaalsContact C-N 3.33Å; I619-E621 PolarHBondContact O-N 3.26Å; I619-L623 HydrophobicContact CG2-CD1 3.89Å; I619-L623 WeakPolarHBondContact O-CB 3.32Å; I619-L623 WeakPolarHBondContact O-CD1 3.43Å; I619-L623 WeakPolarHBondContact O-CG 3.24Å; I619-L623 PolarHBondContact O-N 2.95Å; I619-W660 HydrophobicContact CD1-CB 3.76Å; I619-W660 HydrophobicContact CD1-CD2 4.09Å; I619-W660 HydrophobicContact CD1-CE3 3.61Å; I619-W660 HydrophobicContact CD1-CG 4.19Å; I619-W660 HydrophobicContact CD1-CZ3 4.49Å; I619-W660 HydrophobicContact CG2-CE3 4.27Å; I619-W660 HydrophobicContact CG2-CZ3 4.22Å
620R89Confident82.4Confident96 Ų9668.9 Ų68.936%0.36232%0.317SS..Hα-helixtrans-58.9-42.8175.2-173.8177.7174.6177.7-2.4111.8V616 L623 R624 L630 D631 W634V616-R620 WeakPolarHBondContact O-CB 3.44Å; V616-R620 PolarHBondContact O-N 3.09Å; R620-L623 PolarHBondContact O-N 3.3Å; R620-R624 VanDerWaalsContact O-CB 3.24Å; R620-R624 WeakPolarHBondContact O-CB 3.18Å; R620-R624 PolarHBondContact O-N 3.32Å; R620-L630 HydrophobicContact CG-CD2 3.98Å; R620-L630 VanDerWaalsContact O-CD2 3.28Å; R620-L630 WeakPolarHBondContact O-CD2 3.45Å; R620-D631 IonicContact CZ-OD1 3.43Å; R620-D631 IonicContact NE-OD1 3.62Å; R620-D631 PolarHBondContact NE-OD1 3.39Å; R620-D631 IonicContact NH2-OD1 3.92Å; R620-D631 PolarHBondContact NH2-OD1 2.71Å; R620-W634 HydrophobicContact CB-CD2 4.38Å; R620-W634 HydrophobicContact CB-CE3 4.33Å; R620-W634 HydrophobicContact CB-CH2 3.75Å; R620-W634 HydrophobicContact CB-CZ2 3.81Å; R620-W634 HydrophobicContact CB-CZ3 4.02Å; R620-W634 HydrophobicContact CG-CD2 3.91Å; R620-W634 HydrophobicContact CG-CE3 4Å; R620-W634 HydrophobicContact CG-CH2 4.31Å; R620-W634 HydrophobicContact CG-CZ2 4.23Å; R620-W634 HydrophobicContact CG-CZ3 4.2Å
621E87.6Confident83.4Confident67 Ų6768.2 Ų68.231%0.31332%0.316SS..Hα-helixtrans-67.9-46.7-178.3-165.159.2-129.600112.3Y617 M618 I619 L623 R624 Q625Y617-E621 WeakPolarHBondContact O-CB 3.34Å; Y617-E621 PolarHBondContact O-N 2.86Å; M618-E621 PolarHBondContact O-N 3.39Å; I619-E621 VanDerWaalsContact C-N 3.33Å; I619-E621 PolarHBondContact O-N 3.26Å; E621-L623 VanDerWaalsContact C-N 3.3Å; E621-L623 PolarHBondContact O-N 2.81Å; E621-R624 PolarHBondContact O-N 3.01Å; E621-R624 VanDerWaalsContact O-N 3.11Å; E621-R624 IonicContact OE1-CZ 2.74Å; E621-R624 VanDerWaalsContact OE1-CZ 3.32Å; E621-R624 IonicContact OE1-NE 3.96Å; E621-R624 PolarHBondContact OE1-NE 2.92Å; E621-R624 IonicContact OE1-NH2 3.5Å; E621-R624 PolarHBondContact OE1-NH2 3.44Å; E621-R624 IonicContact OE2-CZ 2.62Å; E621-R624 VanDerWaalsContact OE2-CZ 3.3Å; E621-R624 IonicContact OE2-NE 2.73Å; E621-R624 PolarHBondContact OE2-NE 3.02Å; E621-R624 IonicContact OE2-NH2 3.58Å; E621-R624 PolarHBondContact OE2-NH2 3.39Å; E621-Q625 WeakPolarHBondContact O-CG 3.19Å; E621-Q625 PolarHBondContact O-N 3.32Å; E621-Q625 VanDerWaalsContact O-N 3.12Å
622R87Confident84.5Confident93 Ų9375.4 Ų75.435%0.35134%0.336SS..Hα-helixtrans-57.3-43.2174.8-72.3-172.5-174.1-178.19.1111.5L596 M618L596-R622 HydrophobicContact CD1-CB 4.34Å; M618-R622 WeakPolarHBondContact O-CG 3.43Å; M618-R622 PolarHBondContact O-N 3.05Å
623L88.1Confident85.5Confident0 Ų072.9 Ų72.90%032%0.319CS..Hα-helixtrans-67.9-35.5176.2-73.7164000112.8E592 V593 L596 I619 R620 E621 Q625 K626 H627 L630 W634E592-L623 HydrophobicContact CB-CD2 3.92Å; E592-L623 HydrophobicContact CG-CD2 3.67Å; V593-L623 HydrophobicContact CG2-CD1 3.53Å; L596-L623 HydrophobicContact CD1-CD1 4.42Å; L596-L623 HydrophobicContact CD1-CD2 4.05Å; L596-L623 HydrophobicContact CD1-CG 3.87Å; I619-L623 HydrophobicContact CG2-CD1 3.89Å; I619-L623 WeakPolarHBondContact O-CB 3.32Å; I619-L623 WeakPolarHBondContact O-CD1 3.43Å; I619-L623 WeakPolarHBondContact O-CG 3.24Å; I619-L623 PolarHBondContact O-N 2.95Å; R620-L623 PolarHBondContact O-N 3.3Å; E621-L623 VanDerWaalsContact C-N 3.3Å; E621-L623 PolarHBondContact O-N 2.81Å; L623-Q625 VanDerWaalsContact C-N 3.34Å; L623-Q625 PolarHBondContact O-N 3.1Å; L623-K626 PolarHBondContact O-N 3.15Å; L623-H627 PolarHBondContact O-N 3.5Å; L623-L630 HydrophobicContact CB-CD1 3.99Å; L623-L630 HydrophobicContact CB-CD2 3.55Å; L623-L630 HydrophobicContact CB-CG 4.4Å; L623-L630 HydrophobicContact CD1-CD1 4.49Å; L623-W634 HydrophobicContact CD1-CZ3 3.96Å
624R88.1Confident86.4Confident110 Ų11071.5 Ų71.542%0.41531%0.313SS..Hα-helixtrans-68.2-33.7-178.2-173.5174.172.1152.91.2112.2R620 E621 K626 L630 D631R620-R624 VanDerWaalsContact O-CB 3.24Å; R620-R624 WeakPolarHBondContact O-CB 3.18Å; R620-R624 PolarHBondContact O-N 3.32Å; E621-R624 PolarHBondContact O-N 3.01Å; E621-R624 VanDerWaalsContact O-N 3.11Å; E621-R624 IonicContact OE1-CZ 2.74Å; E621-R624 VanDerWaalsContact OE1-CZ 3.32Å; E621-R624 IonicContact OE1-NE 3.96Å; E621-R624 PolarHBondContact OE1-NE 2.92Å; E621-R624 IonicContact OE1-NH2 3.5Å; E621-R624 PolarHBondContact OE1-NH2 3.44Å; E621-R624 IonicContact OE2-CZ 2.62Å; E621-R624 VanDerWaalsContact OE2-CZ 3.3Å; E621-R624 IonicContact OE2-NE 2.73Å; E621-R624 PolarHBondContact OE2-NE 3.02Å; E621-R624 IonicContact OE2-NH2 3.58Å; E621-R624 PolarHBondContact OE2-NH2 3.39Å; R624-K626 PolarHBondContact O-N 3.22Å; R624-L630 HydrophobicContact CB-CD2 3.98Å; R624-D631 WeakPolarHBondContact CD-OD2 3.35Å
625Q86.4Confident86.8Confident148 Ų14875 Ų7569%0.69234%0.337SS*.Hα-helixtrans-62.8-30173.9-69.3173.44.400112.4E621 L623E621-Q625 WeakPolarHBondContact O-CG 3.19Å; E621-Q625 PolarHBondContact O-N 3.32Å; E621-Q625 VanDerWaalsContact O-N 3.12Å; L623-Q625 VanDerWaalsContact C-N 3.34Å; L623-Q625 PolarHBondContact O-N 3.1Å
626K85.9Confident87Confident131 Ų13177.2 Ų77.257%0.5735%0.345SS*.Hα-helixtrans-96.9-32.7-177.9-165.7-176.5-178.4-167.60114E592 L623 R624E592-K626 WeakPolarHBondContact OE1-CD 3.42Å; E592-K626 WeakPolarHBondContact OE1-CE 3.24Å; E592-K626 IonicContact OE1-NZ 3.64Å; E592-K626 PolarHBondContact OE1-NZ 3.49Å; E592-K626 IonicContact OE2-NZ 2.76Å; E592-K626 PolarHBondContact OE2-NZ 3.12Å; L623-K626 PolarHBondContact O-N 3.15Å; R624-K626 PolarHBondContact O-N 3.22Å
627H87.4Confident87.2Confident16 Ų1676.5 Ų76.57%0.07434%0.341CS..  trans-12798.8-171.3-58.9-74.3000111.7R585 L589 E592 L623 D629 L630R585-H627 PolarHBondContact NH2-ND1 3.39Å; L589-H627 HydrophobicContact CD2-CB 3.97Å; L589-H627 VanDerWaalsContact CD2-CD2 3.43Å; L589-H627 WeakPolarHBondContact CD2-CD2 3.38Å; E592-H627 IonicContact OE2-CD2 3.29Å; E592-H627 IonicContact OE2-CE1 3.69Å; E592-H627 IonicContact OE2-NE2 3.33Å; E592-H627 PolarHBondContact OE2-NE2 3.31Å; L623-H627 PolarHBondContact O-N 3.5Å; H627-D629 PolarHBondContact O-N 3.33Å; H627-D629 VanDerWaalsContact O-N 3.14Å; H627-L630 HydrophobicContact CB-CB 4.4Å; H627-L630 WeakPolarHBondContact O-CB 3.29Å; H627-L630 PolarHBondContact O-N 3.24Å
628H84.4Confident87.5Confident182 Ų18270.7 Ų70.784%0.84332%0.321SS*.THydrogen-bonded Turntrans-63-17.8178.5-57.1-43.9000114.3L630H628-L630 VanDerWaalsContact C-N 3.35Å
629D87.2Confident87.5Confident58 Ų5873.1 Ų73.131%0.3133%0.326SS..THydrogen-bonded Turntrans-84.8-4.617561.6-41.5000113.9R585 H627 D631 R632 L633R585-D629 WeakPolarHBondContact CG-OD2 3.34Å; R585-D629 IonicContact CZ-OD1 3.8Å; R585-D629 IonicContact CZ-OD2 3Å; R585-D629 IonicContact NE-OD1 2.68Å; R585-D629 IonicContact NE-OD2 3.46Å; R585-D629 PolarHBondContact NE-OD2 3Å; R585-D629 IonicContact NH2-OD1 2.69Å; R585-D629 PolarHBondContact NH2-OD1 3.27Å; R585-D629 IonicContact NH2-OD2 2.74Å; R585-D629 PolarHBondContact NH2-OD2 2.74Å; H627-D629 PolarHBondContact O-N 3.33Å; H627-D629 VanDerWaalsContact O-N 3.14Å; D629-D631 PolarHBondContact O-N 3.22Å; D629-R632 PolarHBondContact O-N 2.03Å; D629-L633 PolarHBondContact O-N 3.01Å; D629-L633 WeakPolarHBondContact OD2-CD1 3.42Å
630L88Confident87.4Confident0 Ų076 Ų760%034%0.337CS..Hα-helixtrans-57-47.1-176.1-170.877.4000112.9L589 R620 L623 R624 H627 H628 R632 L633 W634L589-L630 HydrophobicContact CD1-CD1 4.1Å; L589-L630 HydrophobicContact CD2-CD1 4.02Å; R620-L630 HydrophobicContact CG-CD2 3.98Å; R620-L630 VanDerWaalsContact O-CD2 3.28Å; R620-L630 WeakPolarHBondContact O-CD2 3.45Å; L623-L630 HydrophobicContact CB-CD1 3.99Å; L623-L630 HydrophobicContact CB-CD2 3.55Å; L623-L630 HydrophobicContact CB-CG 4.4Å; L623-L630 HydrophobicContact CD1-CD1 4.49Å; R624-L630 HydrophobicContact CB-CD2 3.98Å; H627-L630 HydrophobicContact CB-CB 4.4Å; H627-L630 WeakPolarHBondContact O-CB 3.29Å; H627-L630 PolarHBondContact O-N 3.24Å; H628-L630 VanDerWaalsContact C-N 3.35Å; L630-R632 PolarHBondContact O-N 3.16Å; L630-L633 CarbonylContact O-C 3.54Å; L630-L633 PolarHBondContact O-N 3.46Å; L630-W634 HydrophobicContact CD1-CE3 3.82Å; L630-W634 HydrophobicContact CD1-CZ3 4.28Å; L630-W634 HydrophobicContact CD2-CE3 3.95Å; L630-W634 HydrophobicContact CD2-CZ3 4.33Å; L630-W634 HydrophobicContact CG-CE3 3.91Å; L630-W634 WeakPolarHBondContact O-CB 3.37Å; L630-W634 PolarHBondContact O-N 3.42Å
631D87.3Confident87.1Confident77 Ų7771.6 Ų71.641%0.41232%0.321SS..Hα-helixtrans-62.9-19.4-174.6-79-39.9000113.4R620 R624 D629R620-D631 IonicContact CZ-OD1 3.43Å; R620-D631 IonicContact NE-OD1 3.62Å; R620-D631 PolarHBondContact NE-OD1 3.39Å; R620-D631 IonicContact NH2-OD1 3.92Å; R620-D631 PolarHBondContact NH2-OD1 2.71Å; R624-D631 WeakPolarHBondContact CD-OD2 3.35Å; D629-D631 PolarHBondContact O-N 3.22Å
632R87.6Confident86.7Confident210 Ų21072.9 Ų72.979%0.79232%0.323SS*.Hα-helixtrans-85.3-30.9171.7-179.3176.6174-176.2-2.5113D629 L630D629-R632 PolarHBondContact O-N 2.03Å; L630-R632 PolarHBondContact O-N 3.16Å
633L88.4Confident86.1Confident12 Ų1274.3 Ų74.36%0.06333%0.334CS..Hα-helixtrans-98.2-14.9-174.7-63178.9000113.3Q582 R585 V586 L589 D629 L630 P635 E636 V637Q582-L633 HydrophobicContact CG-CD2 3.9Å; R585-L633 HydrophobicContact CB-CD1 4.12Å; R585-L633 HydrophobicContact CG-CD1 3.42Å; R585-L633 VanDerWaalsContact CG-CD1 3.42Å; V586-L633 HydrophobicContact CG2-CB 4.5Å; V586-L633 HydrophobicContact CG2-CD2 4.34Å; L589-L633 HydrophobicContact CD1-CB 4.02Å; L589-L633 HydrophobicContact CD1-CD1 3.75Å; D629-L633 PolarHBondContact O-N 3.01Å; D629-L633 WeakPolarHBondContact OD2-CD1 3.42Å; L630-L633 CarbonylContact O-C 3.54Å; L630-L633 PolarHBondContact O-N 3.46Å; L633-P635 VanDerWaalsContact C-CD 3.47Å; L633-E636 PolarHBondContact O-N 3.17Å; L633-V637 PolarHBondContact O-N 2.79Å
634W89.7Confident85.1Confident24 Ų2476.4 Ų76.49%0.09135%0.346CS..Hα-helixtrans-52-43.5-176.1-171.3-100.9000113.9V616 R620 L623 L630 E636 V637 T638 W660V616-W634 HydrophobicContact CG1-CZ2 3.73Å; R620-W634 HydrophobicContact CB-CD2 4.38Å; R620-W634 HydrophobicContact CB-CE3 4.33Å; R620-W634 HydrophobicContact CB-CH2 3.75Å; R620-W634 HydrophobicContact CB-CZ2 3.81Å; R620-W634 HydrophobicContact CB-CZ3 4.02Å; R620-W634 HydrophobicContact CG-CD2 3.91Å; R620-W634 HydrophobicContact CG-CE3 4Å; R620-W634 HydrophobicContact CG-CH2 4.31Å; R620-W634 HydrophobicContact CG-CZ2 4.23Å; R620-W634 HydrophobicContact CG-CZ3 4.2Å; L623-W634 HydrophobicContact CD1-CZ3 3.96Å; L630-W634 HydrophobicContact CD1-CE3 3.82Å; L630-W634 HydrophobicContact CD1-CZ3 4.28Å; L630-W634 HydrophobicContact CD2-CE3 3.95Å; L630-W634 HydrophobicContact CD2-CZ3 4.33Å; L630-W634 HydrophobicContact CG-CE3 3.91Å; L630-W634 WeakPolarHBondContact O-CB 3.37Å; L630-W634 PolarHBondContact O-N 3.42Å; W634-E636 VanDerWaalsContact C-N 3.29Å; W634-E636 PolarHBondContact O-N 3.14Å; W634-V637 HydrophobicContact CE3-CG1 4.4Å; W634-V637 HydrophobicContact CZ3-CG1 4.28Å; W634-V637 PolarHBondContact O-N 3.05Å; W634-T638 PolarHBondContact NE1-OG1 3.01Å; W634-T638 WeakPolarHBondContact O-CB 3.44Å; W634-T638 PolarHBondContact O-N 3.24Å; W634-T638 PolarHBondContact O-OG1 3.45Å; W634-W660 AromaticContact CH2-CH2 3.7Å; W634-W660 HydrophobicContact CH2-CH2 3.7Å; W634-W660 AromaticContact CH2-CZ3 3.84Å; W634-W660 HydrophobicContact CH2-CZ3 3.84Å; W634-W660 AromaticContact CZ2-CH2 3.78Å; W634-W660 HydrophobicContact CZ2-CH2 3.78Å; W634-W660 HydrophobicContact CZ2-CZ2 4.46Å; W634-W660 HydrophobicContact CZ2-CZ3 4.34Å
635P89.9Confident84.1Confident92 Ų9272.6 Ų72.660%0.59733%0.333SS*.Hα-helixtrans-60.6-36.7176.6-23.135.1000113.3L633 R639L633-P635 VanDerWaalsContact C-CD 3.47Å; P635-R639 WeakPolarHBondContact O-CB 3.36Å; P635-R639 PolarHBondContact O-N 3.36Å
636E86.9Confident83.1Confident66 Ų6669.4 Ų69.431%0.30832%0.324SS..Hα-helixtrans-77.6-34.8179.2-154.678.8-113.800111.6V586 L633 W634 R639 Y640V586-E636 HydrophobicContact CG1-CG 4.39Å; V586-E636 HydrophobicContact CG2-CB 3.9Å; V586-E636 HydrophobicContact CG2-CG 3.95Å; L633-E636 PolarHBondContact O-N 3.17Å; W634-E636 VanDerWaalsContact C-N 3.29Å; W634-E636 PolarHBondContact O-N 3.14Å; E636-R639 PolarHBondContact O-N 3.43Å; E636-R639 IonicContact OE1-NH1 3.29Å; E636-Y640 WeakPolarHBondContact O-CB 3.4Å; E636-Y640 PolarHBondContact O-N 2.92Å
637V89.2Confident82.2Confident0 Ų064.8 Ų64.80%031%0.308CS..Hα-helixtrans-62.7-51.2170.9170.10000110.5V586 L589 V590 V593 L633 W634 R639 Y640 V641V586-V637 HydrophobicContact CB-CG2 4.5Å; V586-V637 HydrophobicContact CG1-CG2 4.08Å; V586-V637 HydrophobicContact CG2-CG2 4.42Å; L589-V637 HydrophobicContact CB-CG2 3.87Å; L589-V637 HydrophobicContact CD1-CG2 4Å; V590-V637 HydrophobicContact CG2-CG1 3.95Å; V593-V637 HydrophobicContact CG2-CG1 4.34Å; L633-V637 PolarHBondContact O-N 2.79Å; W634-V637 HydrophobicContact CE3-CG1 4.4Å; W634-V637 HydrophobicContact CZ3-CG1 4.28Å; W634-V637 PolarHBondContact O-N 3.05Å; V637-R639 VanDerWaalsContact C-N 3.31Å; V637-R639 PolarHBondContact O-N 3.48Å; V637-Y640 PolarHBondContact O-N 3.17Å; V637-V641 WeakPolarHBondContact O-CG2 3.35Å; V637-V641 PolarHBondContact O-N 3.21Å
638T88.5Confident81.6Confident25 Ų2564.5 Ų64.515%0.15331%0.307CS..Hα-helixtrans-56.7-45.3175.6-62.70000111.1W634 V641 Y642W634-T638 PolarHBondContact NE1-OG1 3.01Å; W634-T638 WeakPolarHBondContact O-CB 3.44Å; W634-T638 PolarHBondContact O-N 3.24Å; W634-T638 PolarHBondContact O-OG1 3.45Å; T638-V641 PolarHBondContact O-N 2.81Å; T638-Y642 HydrophobicContact CG2-CD2 3.68Å; T638-Y642 HydrophobicContact CG2-CE2 3.45Å; T638-Y642 VanDerWaalsContact CG2-CE2 3.45Å; T638-Y642 WeakPolarHBondContact O-CD2 3.5Å; T638-Y642 PolarHBondContact O-N 3.1Å
639R85.3Confident81Confident126 Ų12656.2 Ų56.248%0.47527%0.27SS..Hα-helixtrans-61.4-44.2175.5-174.4177.8-175.6-140.5-14.2112.8P635 E636 V637 V641 Y642 E643P635-R639 WeakPolarHBondContact O-CB 3.36Å; P635-R639 PolarHBondContact O-N 3.36Å; E636-R639 PolarHBondContact O-N 3.43Å; E636-R639 IonicContact OE1-NH1 3.29Å; V637-R639 VanDerWaalsContact C-N 3.31Å; V637-R639 PolarHBondContact O-N 3.48Å; R639-V641 VanDerWaalsContact C-N 3.31Å; R639-V641 PolarHBondContact O-N 2.93Å; R639-Y642 PolarHBondContact O-N 2.96Å; R639-E643 HydrophobicContact CG-CG 4.2Å; R639-E643 IonicContact CZ-OE1 2.78Å; R639-E643 VanDerWaalsContact CZ-OE1 3.29Å; R639-E643 IonicContact CZ-OE2 3.51Å; R639-E643 VanDerWaalsContact NE-CD 3.32Å; R639-E643 IonicContact NE-OE1 2.7Å; R639-E643 PolarHBondContact NE-OE1 3.2Å; R639-E643 IonicContact NE-OE2 3.82Å; R639-E643 PolarHBondContact NE-OE2 3.45Å; R639-E643 IonicContact NH2-OE1 3.52Å; R639-E643 PolarHBondContact NH2-OE1 3.24Å; R639-E643 IonicContact NH2-OE2 2.65Å; R639-E643 PolarHBondContact NH2-OE2 3.25Å; R639-E643 VanDerWaalsContact NH2-OE2 3.08Å; R639-E643 WeakPolarHBondContact O-CB 3.46Å; R639-E643 PolarHBondContact O-N 2.86Å
640Y82.6Confident80.6Confident63 Ų6355.6 Ų55.625%0.24727%0.269CS..Hα-helixtrans-63.3-37.6177.8-165.1-85.7000112V586 R587 V590 E636 V637 V644 E645V586-Y640 HydrophobicContact CG1-CD2 4.48Å; V586-Y640 HydrophobicContact CG1-CG 4.38Å; R587-Y640 HydrophobicContact CG-CE1 4.41Å; R587-Y640 HydrophobicContact CG-CE2 4.09Å; V590-Y640 HydrophobicContact CB-CD1 4.22Å; V590-Y640 HydrophobicContact CG1-CD1 3.87Å; V590-Y640 HydrophobicContact CG1-CE1 4.08Å; V590-Y640 HydrophobicContact CG2-CD1 3.76Å; V590-Y640 HydrophobicContact CG2-CG 4.24Å; E636-Y640 WeakPolarHBondContact O-CB 3.4Å; E636-Y640 PolarHBondContact O-N 2.92Å; V637-Y640 PolarHBondContact O-N 3.17Å; Y640-V644 HydrophobicContact CD1-CB 4.09Å; Y640-V644 HydrophobicContact CD2-CB 4.34Å; Y640-V644 HydrophobicContact CD2-CG2 3.92Å; Y640-V644 HydrophobicContact CE1-CB 3.98Å; Y640-V644 HydrophobicContact CE1-CG1 4.01Å; Y640-V644 HydrophobicContact CE2-CB 4.22Å; Y640-V644 HydrophobicContact CE2-CG1 4.21Å; Y640-V644 HydrophobicContact CE2-CG2 3.95Å; Y640-V644 HydrophobicContact CG-CB 4.29Å; Y640-V644 HydrophobicContact CG-CG2 4.21Å; Y640-V644 WeakPolarHBondContact O-CA 3.4Å; Y640-V644 VanDerWaalsContact O-CB 3.31Å; Y640-V644 WeakPolarHBondContact O-CB 3.42Å; Y640-V644 PolarHBondContact O-N 3.48Å; Y640-E645 HydrophobicContact CD1-CG 4.05Å; Y640-E645 HydrophobicContact CE1-CG 3.99Å; Y640-E645 PolarHBondContact O-N 2.85Å
641V83Confident80Confident4 Ų459.2 Ų59.22%0.02429%0.285CS..Hα-helixtrans-63.3-43.8172.6172.90000111.2V590 V637 T638 R639 I648 V650 W660V590-V641 HydrophobicContact CG2-CG2 4.4Å; V637-V641 WeakPolarHBondContact O-CG2 3.35Å; V637-V641 PolarHBondContact O-N 3.21Å; T638-V641 PolarHBondContact O-N 2.81Å; R639-V641 VanDerWaalsContact C-N 3.31Å; R639-V641 PolarHBondContact O-N 2.93Å; V641-I648 HydrophobicContact CG1-CB 4.08Å; V641-I648 HydrophobicContact CG1-CD1 4.01Å; V641-I648 HydrophobicContact CG1-CG2 3.88Å; V641-I648 HydrophobicContact CG2-CD1 4.03Å; V641-V650 HydrophobicContact CG1-CG2 4.34Å; V641-W660 HydrophobicContact CB-CH2 4.42Å; V641-W660 HydrophobicContact CB-CZ2 4.33Å; V641-W660 HydrophobicContact CG1-CD2 4.28Å; V641-W660 HydrophobicContact CG1-CH2 4.49Å; V641-W660 HydrophobicContact CG1-CZ2 4.14Å; V641-W660 HydrophobicContact CG2-CH2 4.11Å; V641-W660 HydrophobicContact CG2-CZ3 4.22Å
642Y79.6Confident79.6Confident94 Ų9463.6 Ų63.637%0.36930%0.303SS..Hα-helixtrans-71.2-36.9179.2-79-58.4000114.9T638 R639 V650 E658T638-Y642 HydrophobicContact CG2-CD2 3.68Å; T638-Y642 HydrophobicContact CG2-CE2 3.45Å; T638-Y642 VanDerWaalsContact CG2-CE2 3.45Å; T638-Y642 WeakPolarHBondContact O-CD2 3.5Å; T638-Y642 PolarHBondContact O-N 3.1Å; R639-Y642 PolarHBondContact O-N 2.96Å; Y642-V650 HydrophobicContact CD1-CG2 4.12Å; Y642-V650 HydrophobicContact CE1-CB 3.93Å; Y642-V650 HydrophobicContact CE1-CG1 3.68Å; Y642-V650 HydrophobicContact CE1-CG2 3.75Å; Y642-E658 PolarHBondContact OH-OE1 3.38Å; Y642-E658 PolarHBondContact OH-OE2 3.42Å
643E73.7Confident78.9Confident123 Ų12358 Ų5858%0.57528%0.282SS*.Hα-helixtrans-95.2-27.8-173.7-68.3-178.1-17600114R639R639-E643 HydrophobicContact CG-CG 4.2Å; R639-E643 IonicContact CZ-OE1 2.78Å; R639-E643 VanDerWaalsContact CZ-OE1 3.29Å; R639-E643 IonicContact CZ-OE2 3.51Å; R639-E643 VanDerWaalsContact NE-CD 3.32Å; R639-E643 IonicContact NE-OE1 2.7Å; R639-E643 PolarHBondContact NE-OE1 3.2Å; R639-E643 IonicContact NE-OE2 3.82Å; R639-E643 PolarHBondContact NE-OE2 3.45Å; R639-E643 IonicContact NH2-OE1 3.52Å; R639-E643 PolarHBondContact NH2-OE1 3.24Å; R639-E643 IonicContact NH2-OE2 2.65Å; R639-E643 PolarHBondContact NH2-OE2 3.25Å; R639-E643 VanDerWaalsContact NH2-OE2 3.08Å; R639-E643 WeakPolarHBondContact O-CB 3.46Å; R639-E643 PolarHBondContact O-N 2.86Å
644V68.5Low78.2Confident43 Ų4369.5 Ų69.526%0.26133%0.325SS..THydrogen-bonded Turntrans-123.2-44.9-166.5-1680000113.7Y640 T646Y640-V644 HydrophobicContact CD1-CB 4.09Å; Y640-V644 HydrophobicContact CD2-CB 4.34Å; Y640-V644 HydrophobicContact CD2-CG2 3.92Å; Y640-V644 HydrophobicContact CE1-CB 3.98Å; Y640-V644 HydrophobicContact CE1-CG1 4.01Å; Y640-V644 HydrophobicContact CE2-CB 4.22Å; Y640-V644 HydrophobicContact CE2-CG1 4.21Å; Y640-V644 HydrophobicContact CE2-CG2 3.95Å; Y640-V644 HydrophobicContact CG-CB 4.29Å; Y640-V644 HydrophobicContact CG-CG2 4.21Å; Y640-V644 WeakPolarHBondContact O-CA 3.4Å; Y640-V644 VanDerWaalsContact O-CB 3.31Å; Y640-V644 WeakPolarHBondContact O-CB 3.42Å; Y640-V644 PolarHBondContact O-N 3.48Å; V644-T646 PolarHBondContact O-N 3.45Å
645E67.2Low77.4Confident30 Ų3072.9 Ų72.914%0.1437%0.367CS..  trans-83.684.6-172.7-74.4-61.6162.900114V590 Y640 C647 I648V590-E645 HydrophobicContact CG1-CG 3.65Å; Y640-E645 HydrophobicContact CD1-CG 4.05Å; Y640-E645 HydrophobicContact CE1-CG 3.99Å; Y640-E645 PolarHBondContact O-N 2.85Å; E645-C647 PolarHBondContact O-N 3.49Å; E645-I648 HydrophobicContact CB-CD1 4.3Å; E645-I648 PolarHBondContact O-N 3.17Å
646T64.4Low76.6Confident82 Ų8270.9 Ų70.950%0.50335%0.353SS..THydrogen-bonded Turntrans-62.6-6.1173.859.30000115.2R187 V644R187-T646 PolarHBondContact NH2-OG1 2.82Å; V644-T646 PolarHBondContact O-N 3.45Å
647C68.1Low76.3Confident33 Ų3369 Ų6922%0.22335%0.351CS..THydrogen-bonded Turntrans-89.3-9-179.2-46.40000112.6E645 W662 Q663E645-C647 PolarHBondContact O-N 3.49Å; C647-W662 HydrophobicContact CB-CE3 3.93Å; C647-W662 HydrophobicContact CB-CH2 3.48Å; C647-W662 VanDerWaalsContact CB-CH2 3.48Å; C647-W662 HydrophobicContact CB-CZ2 4.31Å; C647-W662 HydrophobicContact CB-CZ3 3.25Å; C647-Q663 PolarHBondContact O-N 2.89Å
648I75.2Confident76Confident11 Ų1173.6 Ų73.66%0.05637%0.373CS..EExtended strand (participates in β ladder)trans-109.2111.2178.2-60.4172.5000108.5V593 V594 L597 V641 E645 V650 W660 W662V593-I648 HydrophobicContact CG1-CD1 3.83Å; V594-I648 HydrophobicContact CG2-CD1 4.02Å; V594-I648 HydrophobicContact CG2-CG1 4.48Å; L597-I648 HydrophobicContact CD1-CD1 3.99Å; L597-I648 HydrophobicContact CD1-CG1 3.91Å; L597-I648 HydrophobicContact CD1-CG2 3.94Å; V641-I648 HydrophobicContact CG1-CB 4.08Å; V641-I648 HydrophobicContact CG1-CD1 4.01Å; V641-I648 HydrophobicContact CG1-CG2 3.88Å; V641-I648 HydrophobicContact CG2-CD1 4.03Å; E645-I648 HydrophobicContact CB-CD1 4.3Å; E645-I648 PolarHBondContact O-N 3.17Å; I648-V650 PolarHBondContact O-N 2.86Å; I648-W660 HydrophobicContact CG2-CB 3.69Å; I648-W660 HydrophobicContact CG2-CD2 4.36Å; I648-W660 HydrophobicContact CG2-CG 3.87Å; I648-W662 HydrophobicContact CG1-CE3 4.36Å
649G71.9Confident75.8Confident7 Ų772.4 Ų72.47%0.07237%0.365CS..EExtended strand (participates in β ladder)trans-76.6115.2169.400000110.3Q661G649-Q661 PolarHBondContact N-O 3.48Å; G649-Q661 PolarHBondContact O-N 3.4Å
650V78.6Confident75.8Confident46 Ų4666.4 Ų66.428%0.27934%0.343SS..EExtended strand (participates in β ladder)trans-91.5127.6171.2-171.80000109.8V641 Y642 I648V641-V650 HydrophobicContact CG1-CG2 4.34Å; Y642-V650 HydrophobicContact CD1-CG2 4.12Å; Y642-V650 HydrophobicContact CE1-CB 3.93Å; Y642-V650 HydrophobicContact CE1-CG1 3.68Å; Y642-V650 HydrophobicContact CE1-CG2 3.75Å; I648-V650 PolarHBondContact O-N 2.86Å
651Q75.3Confident75.7Confident75 Ų7565.3 Ų65.335%0.3534%0.34SS..EExtended strand (participates in β ladder)trans-141.6141.3178.3-66.1-177.35.300110.6T659Q651-T659 PolarHBondContact N-O 3.19Å; Q651-T659 PolarHBondContact O-N 2.9Å; Q651-T659 PolarHBondContact O-OG1 2.67Å
652E79Confident75.2Confident169 Ų16967 Ų6779%0.7935%0.346SS*.EExtended strand (participates in β ladder)trans-90.5124.2172.5-172.5-176.2-172.800110G657E652-G657 WeakPolarHBondContact CA-O 3.46Å
653W72.4Confident74.6Confident93 Ų9365.6 Ų65.635%0.35234%0.343SS..EExtended strand (participates in β ladder)trans-110.5134.9177.7-71.472.5000111.1Y613 G655 V656 G657 T659Y613-W653 AromaticContact CD1-CD2 3.62Å; Y613-W653 HydrophobicContact CD1-CD2 3.62Å; Y613-W653 AromaticContact CD1-CE2 3.46Å; Y613-W653 VanDerWaalsContact CD1-CE2 3.46Å; Y613-W653 AromaticContact CD1-CE3 3.9Å; Y613-W653 HydrophobicContact CD1-CE3 3.9Å; Y613-W653 HydrophobicContact CD1-CG 4.24Å; Y613-W653 AromaticContact CD1-CH2 3.91Å; Y613-W653 HydrophobicContact CD1-CH2 3.91Å; Y613-W653 AromaticContact CD1-CZ2 3.62Å; Y613-W653 HydrophobicContact CD1-CZ2 3.62Å; Y613-W653 HydrophobicContact CD1-CZ3 4.04Å; Y613-W653 AromaticContact CD1-NE1 3.95Å; Y613-W653 HydrophobicContact CD2-CG 4.35Å; Y613-W653 AromaticContact CE1-CD2 3.58Å; Y613-W653 HydrophobicContact CE1-CD2 3.58Å; Y613-W653 AromaticContact CE1-CE2 3.9Å; Y613-W653 AromaticContact CE1-CE3 3.42Å; Y613-W653 HydrophobicContact CE1-CE3 3.42Å; Y613-W653 VanDerWaalsContact CE1-CE3 3.42Å; Y613-W653 HydrophobicContact CE1-CG 4.28Å; Y613-W653 AromaticContact CE1-CH2 3.97Å; Y613-W653 HydrophobicContact CE1-CH2 3.97Å; Y613-W653 HydrophobicContact CE1-CZ2 4.1Å; Y613-W653 AromaticContact CE1-CZ3 3.63Å; Y613-W653 HydrophobicContact CE1-CZ3 3.63Å; Y613-W653 HydrophobicContact CE2-CG 4.42Å; Y613-W653 HydrophobicContact CG-CD2 4.13Å; Y613-W653 AromaticContact CG-CE2 3.95Å; Y613-W653 HydrophobicContact CG-CG 4.28Å; Y613-W653 HydrophobicContact CG-CZ2 4.44Å; Y613-W653 AromaticContact CG-NE1 3.95Å; Y613-W653 AromaticContact CZ-CE3 3.96Å; W653-G655 PolarHBondContact O-N 3.29Å; W653-V656 HydrophobicContact CB-CB 4.27Å; W653-V656 PolarHBondContact O-N 2.7Å; W653-G657 PolarHBondContact N-O 2.87Å; W653-G657 PolarHBondContact O-N 3.37Å; W653-T659 HydrophobicContact CB-CG2 4.08Å; W653-T659 HydrophobicContact CG-CG2 4.07Å; W653-T659 PolarHBondContact NE1-OG1 3.02Å
654R73.6Confident73.7Confident254 Ų25463.2 Ų63.296%0.95834%0.34SS*.THydrogen-bonded Turntrans-56.8121.2-173.7-55-174.5-153.3-122.54.9110.6V656R654-V656 VanDerWaalsContact C-N 3.26Å; R654-V656 PolarHBondContact O-N 3.42Å
655G73.1Confident73Confident94 Ų9462.1 Ų62.197%0.96934%0.338SS*.THydrogen-bonded Turntrans81.8-9.7179.800000115.7W653W653-G655 PolarHBondContact O-N 3.29Å
656V72.4Confident72.6Confident50 Ų5064 Ų6430%0.30335%0.351SS..THydrogen-bonded Turntrans-108.3-27.2179.9-178.10000111.7P615 W653 R654 T659P615-V656 HydrophobicContact CB-CG1 3.84Å; P615-V656 HydrophobicContact CG-CG1 3.64Å; W653-V656 HydrophobicContact CB-CB 4.27Å; W653-V656 PolarHBondContact O-N 2.7Å; R654-V656 VanDerWaalsContact C-N 3.26Å; R654-V656 PolarHBondContact O-N 3.42Å; V656-T659 HydrophobicContact CG1-CG2 3.99Å
657G81Confident72.8Confident27 Ų2760.5 Ų60.528%0.27833%0.332SS..EExtended strand (participates in β ladder)trans87.1-149.2-178.800000112.2E652 W653 T659E652-G657 WeakPolarHBondContact CA-O 3.46Å; W653-G657 PolarHBondContact N-O 2.87Å; W653-G657 PolarHBondContact O-N 3.37Å; G657-T659 PolarHBondContact O-N 3.3Å
658E83.4Confident73.2Confident96 Ų9661 Ų6145%0.44933%0.329SS..EExtended strand (participates in β ladder)trans-62.9132.5175.1-66.3-177.2-165.700111.2V616 Y642V616-E658 HydrophobicContact CB-CB 4.22Å; V616-E658 HydrophobicContact CG2-CB 3.73Å; V616-E658 WeakPolarHBondContact CG2-O 3.41Å; V616-E658 PolarHBondContact N-O 3.33Å; Y642-E658 PolarHBondContact OH-OE1 3.38Å; Y642-E658 PolarHBondContact OH-OE2 3.42Å
659T82.8Confident73.2Confident0 Ų062.4 Ų62.40%034%0.335CS..EExtended strand (participates in β ladder)trans-126.9147.917272.80000109.6Y613 V614 Q651 W653 V656 G657Y613-T659 HydrophobicContact CD2-CG2 3.76Å; Y613-T659 HydrophobicContact CE2-CG2 4.47Å; Y613-T659 HydrophobicContact CG-CG2 4.35Å; V614-T659 CarbonylContact O-C 3.59Å; V614-T659 VanDerWaalsContact O-CA 3.3Å; V614-T659 WeakPolarHBondContact O-CA 3.42Å; V614-T659 WeakPolarHBondContact O-CB 3.39Å; Q651-T659 PolarHBondContact N-O 3.19Å; Q651-T659 PolarHBondContact O-N 2.9Å; Q651-T659 PolarHBondContact O-OG1 2.67Å; W653-T659 HydrophobicContact CB-CG2 4.08Å; W653-T659 HydrophobicContact CG-CG2 4.07Å; W653-T659 PolarHBondContact NE1-OG1 3.02Å; V656-T659 HydrophobicContact CG1-CG2 3.99Å; G657-T659 PolarHBondContact O-N 3.3Å
660W86Confident73.3Confident0 Ų062.8 Ų62.80%034%0.339CS..EExtended strand (participates in β ladder)trans-110.6134.2169.1-64.9-12.7000108.7V593 L597 V614 V616 I619 W634 V641 I648V593-W660 HydrophobicContact CG1-CE3 3.59Å; V593-W660 HydrophobicContact CG1-CZ3 3.65Å; V593-W660 HydrophobicContact CG2-CZ3 4.03Å; L597-W660 HydrophobicContact CD1-CB 3.98Å; L597-W660 HydrophobicContact CD2-CB 4.13Å; L597-W660 WeakPolarHBondContact CD2-O 3.37Å; V614-W660 PolarHBondContact N-O 3.38Å; V614-W660 PolarHBondContact O-N 2.89Å; V616-W660 HydrophobicContact CG1-CH2 4.46Å; V616-W660 HydrophobicContact CG1-CZ2 4.09Å; V616-W660 VanDerWaalsContact CG2-CD1 3.46Å; V616-W660 HydrophobicContact CG2-CD2 3.83Å; V616-W660 HydrophobicContact CG2-CG 3.75Å; V616-W660 HydrophobicContact CG2-CZ2 4.29Å; I619-W660 HydrophobicContact CD1-CB 3.76Å; I619-W660 HydrophobicContact CD1-CD2 4.09Å; I619-W660 HydrophobicContact CD1-CE3 3.61Å; I619-W660 HydrophobicContact CD1-CG 4.19Å; I619-W660 HydrophobicContact CD1-CZ3 4.49Å; I619-W660 HydrophobicContact CG2-CE3 4.27Å; I619-W660 HydrophobicContact CG2-CZ3 4.22Å; W634-W660 AromaticContact CH2-CH2 3.7Å; W634-W660 HydrophobicContact CH2-CH2 3.7Å; W634-W660 AromaticContact CH2-CZ3 3.84Å; W634-W660 HydrophobicContact CH2-CZ3 3.84Å; W634-W660 AromaticContact CZ2-CH2 3.78Å; W634-W660 HydrophobicContact CZ2-CH2 3.78Å; W634-W660 HydrophobicContact CZ2-CZ2 4.46Å; W634-W660 HydrophobicContact CZ2-CZ3 4.34Å; V641-W660 HydrophobicContact CB-CH2 4.42Å; V641-W660 HydrophobicContact CB-CZ2 4.33Å; V641-W660 HydrophobicContact CG1-CD2 4.28Å; V641-W660 HydrophobicContact CG1-CH2 4.49Å; V641-W660 HydrophobicContact CG1-CZ2 4.14Å; V641-W660 HydrophobicContact CG2-CH2 4.11Å; V641-W660 HydrophobicContact CG2-CZ3 4.22Å; I648-W660 HydrophobicContact CG2-CB 3.69Å; I648-W660 HydrophobicContact CG2-CD2 4.36Å; I648-W660 HydrophobicContact CG2-CG 3.87Å
661Q79.6Confident73.2Confident40 Ų4063.4 Ų63.419%0.18735%0.345CS..EExtended strand (participates in β ladder)trans-123.1129.5176.2168.7177.372.600107.7P612 G649 Q663P612-Q661 WeakPolarHBondContact O-CG 3.46Å; P612-Q661 PolarHBondContact O-NE2 3.43Å; G649-Q661 PolarHBondContact N-O 3.48Å; G649-Q661 PolarHBondContact O-N 3.4Å; Q661-Q663 PolarHBondContact O-N 2.88Å
662W73.9Confident73Confident39 Ų3961.9 Ų61.915%0.14835%0.346CS..EExtended strand (participates in β ladder)trans-71.4127.8171.2172.9-97.7000110.1V594 L597 Q598 L601 C647 I648 S664V594-W662 HydrophobicContact CB-CZ3 4.14Å; V594-W662 HydrophobicContact CG1-CE3 4.02Å; V594-W662 HydrophobicContact CG1-CH2 3.77Å; V594-W662 HydrophobicContact CG1-CZ3 3.4Å; V594-W662 VanDerWaalsContact CG1-CZ3 3.4Å; V594-W662 HydrophobicContact CG2-CE3 4.35Å; V594-W662 HydrophobicContact CG2-CZ3 3.79Å; L597-W662 HydrophobicContact CB-CB 3.77Å; Q598-W662 HydrophobicContact CG-CD2 3.87Å; Q598-W662 HydrophobicContact CG-CE3 4.46Å; Q598-W662 HydrophobicContact CG-CG 4.06Å; Q598-W662 HydrophobicContact CG-CZ2 4.24Å; Q598-W662 VanDerWaalsContact NE2-CH2 3.31Å; L601-W662 HydrophobicContact CD1-CB 3.69Å; L601-W662 HydrophobicContact CD1-CG 4.07Å; L601-W662 WeakPolarHBondContact CD1-O 3.43Å; C647-W662 HydrophobicContact CB-CE3 3.93Å; C647-W662 HydrophobicContact CB-CH2 3.48Å; C647-W662 VanDerWaalsContact CB-CH2 3.48Å; C647-W662 HydrophobicContact CB-CZ2 4.31Å; C647-W662 HydrophobicContact CB-CZ3 3.25Å; I648-W662 HydrophobicContact CG1-CE3 4.36Å; W662-S664 PolarHBondContact NE1-OG 3.43Å; W662-S664 VanDerWaalsContact NE1-OG 3.11Å
663Q67.1Low72.5Confident65 Ų6557 Ų5730%0.30433%0.325SS..  trans-104.488.8177.8-66.7-172-12.200107.9C647 Q661 G665C647-Q663 PolarHBondContact O-N 2.89Å; Q661-Q663 PolarHBondContact O-N 2.88Å; Q663-G665 VanDerWaalsContact C-N 3.29Å; Q663-G665 PolarHBondContact O-N 2.58Å
664S53.4Low71.7Confident73 Ų7360.7 Ų60.751%0.5135%0.348SS..  trans-52.675.4-171.8-69.90000115.6W662 T666W662-S664 PolarHBondContact NE1-OG 3.43Å; W662-S664 VanDerWaalsContact NE1-OG 3.11Å; S664-T666 VanDerWaalsContact O-CG2 3.3Å; S664-T666 WeakPolarHBondContact O-CG2 3.42Å; S664-T666 PolarHBondContact O-N 3.34Å
665G53.7Low70.7Confident21 Ų2153.4 Ų53.422%0.21633%0.328CS..SBendtrans62.46.1179.800000115.5Q663 Q669 D760Q663-G665 VanDerWaalsContact C-N 3.29Å; Q663-G665 PolarHBondContact O-N 2.58Å; G665-Q669 VanDerWaalsContact CA-NE2 3.33Å; G665-Q669 PolarHBondContact O-NE2 3.45Å; G665-D760 WeakPolarHBondContact O-CA 3.05Å
666T60Low69.8Low68 Ų6856 Ų5642%0.41733%0.325SS..  trans-81.6136.7-173.3105.70000110.8S664 R708 D760S664-T666 VanDerWaalsContact O-CG2 3.3Å; S664-T666 WeakPolarHBondContact O-CG2 3.42Å; S664-T666 PolarHBondContact O-N 3.34Å; T666-R708 PolarHBondContact OG1-NH2 2.9Å; T666-D760 WeakPolarHBondContact CA-OD1 3.41Å; T666-D760 WeakPolarHBondContact CB-OD1 2.95Å
667G68.7Low68.6Low10 Ų1057.8 Ų57.810%0.10334%0.34CS..SBendtrans92.2-160.6-172.700000113.1Q669 F759 D760G667-Q669 PolarHBondContact O-N 2.88Å; G667-F759 WeakPolarHBondContact O-CA 3.44Å; G667-D760 PolarHBondContact N-OD1 2.8Å; G667-D760 PolarHBondContact O-N 3.22Å
668W76.7Confident67.3Low44 Ų4462.9 Ų62.917%0.16736%0.356CS..EExtended strand (participates in β ladder)trans-86.599.1-166.7-67.296.7000113.8R187 G670 M695 E712 L713 K716 I754 N757 F759 L764R187-W668 PolarHBondContact NH1-O 3.47Å; R187-W668 PolarHBondContact NH2-O 3.44Å; W668-G670 PolarHBondContact O-N 3.23Å; W668-M695 HydrophobicContact CZ2-CE 4.27Å; W668-E712 PolarHBondContact NE1-O 3.23Å; W668-L713 HydrophobicContact CZ2-CD1 4.27Å; W668-K716 HydrophobicContact CD2-CB 4.45Å; W668-K716 HydrophobicContact CD2-CD 4.27Å; W668-K716 HydrophobicContact CD2-CG 4.01Å; W668-K716 HydrophobicContact CE3-CG 4.38Å; W668-K716 HydrophobicContact CH2-CG 4.06Å; W668-K716 HydrophobicContact CZ2-CB 3.78Å; W668-K716 HydrophobicContact CZ2-CG 3.65Å; W668-K716 HydrophobicContact CZ3-CG 4.39Å; W668-I754 HydrophobicContact CH2-CB 4.4Å; W668-I754 HydrophobicContact CH2-CD1 4.02Å; W668-I754 HydrophobicContact CH2-CG1 3.78Å; W668-I754 HydrophobicContact CH2-CG2 4.11Å; W668-I754 HydrophobicContact CZ3-CG1 4.3Å; W668-I754 HydrophobicContact CZ3-CG2 4.38Å; W668-N757 HydrophobicContact CE3-CB 4.18Å; W668-N757 HydrophobicContact CZ3-CB 4.01Å; W668-F759 AromaticContact CD2-CD2 3.96Å; W668-F759 HydrophobicContact CD2-CD2 3.96Å; W668-F759 AromaticContact CE2-CD2 3.85Å; W668-F759 HydrophobicContact CE3-CD2 4.47Å; W668-F759 HydrophobicContact CG-CD2 4.21Å; W668-F759 HydrophobicContact CZ2-CD2 4.26Å; W668-L764 HydrophobicContact CH2-CD1 3.71Å; W668-L764 HydrophobicContact CZ3-CD1 3.63Å
669Q75.4Confident65.8Low39 Ų3966.4 Ų66.418%0.18237%0.371CS..EExtended strand (participates in β ladder)trans-83.6-7.3-173.1-61.4169.2-59.500115.1R187 G665 G667 Y758R187-Q669 PolarHBondContact NE-O 2.98Å; R187-Q669 PolarHBondContact NH1-O 3.23Å; R187-Q669 PolarHBondContact NH2-O 2.04Å; G665-Q669 VanDerWaalsContact CA-NE2 3.33Å; G665-Q669 PolarHBondContact O-NE2 3.45Å; G667-Q669 PolarHBondContact O-N 2.88Å; Q669-Y758 PolarHBondContact N-O 3.37Å
670G74.2Confident64.6Low16 Ų1668.6 Ų68.617%0.16539%0.385CS..EExtended strand (participates in β ladder)trans121.5-171.6175.100000113.8R187 W668 N757 Y758R187-G670 VanDerWaalsContact NH1-CA 3.31Å; W668-G670 PolarHBondContact O-N 3.23Å; G670-N757 CarbonylContact O-C 3.56Å; G670-N757 WeakPolarHBondContact O-CA 3.34Å; G670-Y758 PolarHBondContact O-N 3.14Å
671S75.6Confident63.5Low58 Ų5874.7 Ų74.741%0.40643%0.427SS..EExtended strand (participates in β ladder)trans-99.5145.6178.9-154.40000112.9L673 A756 N757S671-L673 VanDerWaalsContact C-N 3.29Å; S671-L673 PolarHBondContact OG-N 3.16Å; S671-A756 PolarHBondContact OG-O 3.43Å; S671-N757 WeakPolarHBondContact CA-OD1 3.48Å; S671-N757 WeakPolarHBondContact CB-OD1 3.3Å; S671-N757 PolarHBondContact OG-OD1 2.77Å
672A71.8Confident63Low43 Ų4374.1 Ų74.136%0.35542%0.424SS..SBendtrans-79.8-11.4166.400000112.8A756 Y758 L763A672-A756 HydrophobicContact CB-CB 4.46Å; A672-A756 WeakPolarHBondContact CB-O 3.18Å; A672-A756 PolarHBondContact N-O 3.04Å; A672-Y758 HydrophobicContact CB-CE2 3.62Å; A672-L763 HydrophobicContact CB-CD1 3.75Å
673L67.5Low62.9Low66 Ų6679.8 Ų79.835%0.34646%0.456SS..  trans-98.7105.9172.5-65.2175.2000108.5S671 D675 A756S671-L673 VanDerWaalsContact C-N 3.29Å; S671-L673 PolarHBondContact OG-N 3.16Å; L673-D675 VanDerWaalsContact C-N 3.29Å; L673-A756 HydrophobicContact CD1-CB 3.9Å; L673-A756 HydrophobicContact CG-CB 3.88Å
674M55.2Low63.4Low171 Ų17182 Ų8284%0.84247%0.473SS*.  trans-70.1-29.9174.4-66.7179.866.900111.9
675D53.3Low64.9Low102 Ų10279.4 Ų79.455%0.54546%0.455SS..  trans-102.7126.1178.5-57.7-41.2000112.6L673 S677L673-D675 VanDerWaalsContact C-N 3.29Å; D675-S677 WeakPolarHBondContact CB-OG 3.49Å; D675-S677 PolarHBondContact O-N 3.4Å; D675-S677 VanDerWaalsContact O-N 3.15Å
676T53.3Low66.4Low147 Ų14782.5 Ų82.590%0.90247%0.471SS*.THydrogen-bonded Turntrans-64.5-6.3159-420000112.2Q678T676-Q678 VanDerWaalsContact C-N 3.25Å; T676-Q678 PolarHBondContact O-N 3.42Å
677S48Very low67.9Low88 Ų8880.6 Ų80.662%0.61546%0.459SS*.THydrogen-bonded Turntrans-67.6-18.6-178.6780000114.2D675 K679D675-S677 WeakPolarHBondContact CB-OG 3.49Å; D675-S677 PolarHBondContact O-N 3.4Å; D675-S677 VanDerWaalsContact O-N 3.15Å; S677-K679 PolarHBondContact O-N 2.92Å
678Q53.4Low69.1Low134 Ų13482.8 Ų82.863%0.62647%0.467SS*.SBendtrans-73.877.5171.9-71.6-168.246.800110.6T676T676-Q678 VanDerWaalsContact C-N 3.25Å; T676-Q678 PolarHBondContact O-N 3.42Å
679K51.4Low69.9Low171 Ų17180.7 Ų80.774%0.74346%0.459SS*.  trans-42.9128.7173.2-175.1174.4-176171.40110.1S677S677-K679 PolarHBondContact O-N 2.92Å
680P58.7Low70.8Confident46 Ų4678.9 Ų78.930%0.29945%0.451SS..  trans-55.5148.7-17823.3-36000111.5F682 H752P680-F682 HydrophobicContact CB-CD1 3.89Å; P680-F682 HydrophobicContact CB-CE1 3.68Å; P680-F682 HydrophobicContact CB-CE2 4.38Å; P680-F682 HydrophobicContact CB-CG 4.32Å; P680-F682 HydrophobicContact CB-CZ 3.97Å; P680-F682 WeakPolarHBondContact CG-O 3.31Å; P680-F682 PolarHBondContact O-N 3.36Å; P680-H752 WeakPolarHBondContact CG-NE2 3.43Å
681S62.4Low71.7Confident128 Ų12880 Ų8090%0.89545%0.451SS*.SBendtrans-68.63.8176.656.40000114.1
682F69.9Low72.5Confident28 Ų2877.3 Ų77.312%0.12343%0.432CS..  trans-129.9138.1176.260.8-88.5000109.5P680 P685 F751 H752 F768P680-F682 HydrophobicContact CB-CD1 3.89Å; P680-F682 HydrophobicContact CB-CE1 3.68Å; P680-F682 HydrophobicContact CB-CE2 4.38Å; P680-F682 HydrophobicContact CB-CG 4.32Å; P680-F682 HydrophobicContact CB-CZ 3.97Å; P680-F682 WeakPolarHBondContact CG-O 3.31Å; P680-F682 PolarHBondContact O-N 3.36Å; F682-P685 HydrophobicContact CD2-CB 4.13Å; F682-P685 HydrophobicContact CE2-CB 3.92Å; F682-F751 AromaticContact CE1-CD1 3.81Å; F682-F751 HydrophobicContact CE1-CD1 3.81Å; F682-F751 AromaticContact CE1-CE1 3.85Å; F682-F751 HydrophobicContact CE1-CE1 3.85Å; F682-F751 HydrophobicContact CE1-CG 4.25Å; F682-F751 HydrophobicContact CE1-CZ 4.3Å; F682-F751 AromaticContact CZ-CD1 3.98Å; F682-F751 HydrophobicContact CZ-CD1 3.98Å; F682-F751 HydrophobicContact CZ-CE1 4.46Å; F682-F751 HydrophobicContact CZ-CG 4.31Å; F682-H752 AromaticContact CZ-CE1 3.58Å; F682-F768 AromaticContact CD1-CE2 3.89Å; F682-F768 HydrophobicContact CD1-CE2 3.89Å; F682-F768 AromaticContact CE1-CE2 3.53Å; F682-F768 HydrophobicContact CE1-CE2 3.53Å; F682-F768 HydrophobicContact CE1-CZ 4Å; F682-F768 HydrophobicContact CE2-CE2 4.47Å; F682-F768 HydrophobicContact CE2-CZ 4.21Å; F682-F768 AromaticContact CZ-CE2 3.85Å; F682-F768 HydrophobicContact CZ-CE2 3.85Å; F682-F768 AromaticContact CZ-CZ 3.8Å; F682-F768 HydrophobicContact CZ-CZ 3.8Å
683I71Confident73.4Confident158 Ų15878.6 Ų78.681%0.8143%0.428SS*.SBendtrans-85-35.7171-62.6170.1000109.9
684V77.3Confident74.2Confident111 Ų11176.4 Ų76.467%0.67342%0.416SS*.SBendtrans-125.1130.8174.5-1790000107.7
685P85.1Confident75.6Confident18 Ų1868.3 Ų68.312%0.11738%0.376CS..  trans-63.5130.5179.223-31.7000111F682 T687 P744 F768F682-P685 HydrophobicContact CD2-CB 4.13Å; F682-P685 HydrophobicContact CE2-CB 3.92Å; P685-T687 PolarHBondContact O-N 3.03Å; P685-P744 VanDerWaalsContact CB-O 3.28Å; P685-P744 WeakPolarHBondContact CB-O 3.1Å; P685-P744 VanDerWaalsContact CG-C 3.46Å; P685-P744 HydrophobicContact CG-CB 4.33Å; P685-P744 WeakPolarHBondContact CG-O 3.39Å; P685-F768 HydrophobicContact CB-CE1 3.79Å; P685-F768 HydrophobicContact CB-CZ 3.84Å
686P85.8Confident77Confident87 Ų8763.9 Ų63.957%0.56535%0.352SS*.SBendtrans-80.1-17.4-166.830.9-37.6000115F768P686-F768 HydrophobicContact CG-CB 3.87Å; P686-F768 HydrophobicContact CG-CD1 4.03Å; P686-F768 HydrophobicContact CG-CD2 3.99Å; P686-F768 HydrophobicContact CG-CG 3.68Å
687T91.8Very high78Confident27 Ų2758.2 Ų58.217%0.16632%0.319CS..  trans-154.4151.5-176.160.50000111.5P685 C689 A747 F768 L769 R770P685-T687 PolarHBondContact O-N 3.03Å; T687-C689 VanDerWaalsContact C-N 3.29Å; T687-C689 PolarHBondContact O-N 3.44Å; T687-C689 PolarHBondContact OG1-O 2.78Å; T687-C689 VanDerWaalsContact OG1-O 3.11Å; T687-A747 WeakPolarHBondContact O-CB 3.37Å; T687-F768 WeakPolarHBondContact O-CD1 3.38Å; T687-F768 WeakPolarHBondContact OG1-CB 3.29Å; T687-F768 WeakPolarHBondContact OG1-CD1 3.27Å; T687-L769 VanDerWaalsContact CB-O 3.23Å; T687-L769 WeakPolarHBondContact CB-O 2.94Å; T687-L769 PolarHBondContact OG1-N 2.8Å; T687-L769 PolarHBondContact OG1-O 3.14Å; T687-R770 HydrophobicContact CG2-CG 4.43Å
688E92.5Very high79Confident57 Ų5755.9 Ų55.927%0.26630%0.301SS..SBendtrans-72.1-15.4172.871-159.3-138.500114.4K740 C741 A747E688-K740 HydrophobicContact CG-CG 4.47Å; E688-K740 WeakPolarHBondContact OE1-CE 3.44Å; E688-K740 IonicContact OE1-NZ 3.63Å; E688-K740 PolarHBondContact OE1-NZ 3.49Å; E688-C741 WeakPolarHBondContact O-CB 3.36Å; E688-C741 PolarHBondContact O-N 2.79Å; E688-A747 WeakPolarHBondContact O-CB 3.33Å
689C94.2Very high79.5Confident0 Ų057.4 Ų57.40%031%0.308CS..EExtended strand (participates in β ladder)trans-103.8146.5-177.9-330000113.2T687 I739 L769 D771 Y774T687-C689 VanDerWaalsContact C-N 3.29Å; T687-C689 PolarHBondContact O-N 3.44Å; T687-C689 PolarHBondContact OG1-O 2.78Å; T687-C689 VanDerWaalsContact OG1-O 3.11Å; C689-I739 CarbonylContact C-O 3.56Å; C689-I739 VanDerWaalsContact CA-O 3.31Å; C689-I739 WeakPolarHBondContact CA-O 3.37Å; C689-L769 HydrophobicContact CB-CB 4.34Å; C689-L769 WeakPolarHBondContact CB-O 3.44Å; C689-L769 PolarHBondContact O-N 3.17Å; C689-D771 PolarHBondContact SG-OD1 3.46Å; C689-Y774 HydrophobicContact CB-CD2 3.63Å; C689-Y774 HydrophobicContact CB-CE2 4.36Å; C689-Y774 HydrophobicContact CB-CG 4.21Å
690L94.3Very high80Confident1 Ų153.5 Ų53.51%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-131145.8-177.1-61.2172.5000111.3Y738 I739 A747 V750 F751 V766 F768L690-Y738 CarbonylContact O-C 3.57Å; L690-Y738 VanDerWaalsContact O-CA 3.3Å; L690-Y738 WeakPolarHBondContact O-CA 3.21Å; L690-I739 HydrophobicContact CB-CB 4.44Å; L690-I739 PolarHBondContact N-O 2.99Å; L690-I739 PolarHBondContact O-N 2.89Å; L690-A747 HydrophobicContact CD1-CB 4.3Å; L690-A747 HydrophobicContact CD2-CB 4.41Å; L690-A747 HydrophobicContact CG-CB 4.2Å; L690-V750 HydrophobicContact CD1-CB 3.79Å; L690-V750 HydrophobicContact CD1-CG1 3.37Å; L690-F751 HydrophobicContact CD2-CB 4.39Å; L690-F751 HydrophobicContact CD2-CD2 4.33Å; L690-V766 HydrophobicContact CB-CG1 4.12Å; L690-V766 HydrophobicContact CD1-CG1 4.41Å; L690-V766 HydrophobicContact CD2-CG1 4.01Å; L690-V766 HydrophobicContact CG-CG1 4.43Å; L690-F768 HydrophobicContact CD2-CD1 3.49Å; L690-F768 VanDerWaalsContact CD2-CD1 3.49Å; L690-F768 HydrophobicContact CD2-CD2 4.5Å; L690-F768 HydrophobicContact CD2-CE1 3.52Å; L690-F768 HydrophobicContact CD2-CE2 4.5Å; L690-F768 HydrophobicContact CD2-CG 4.02Å; L690-F768 HydrophobicContact CD2-CZ 4.04Å
691K93.1Very high80.5Confident39 Ų3952.8 Ų52.817%0.1730%0.295CS..EExtended strand (participates in β ladder)trans-118112.5167.8178.2172.5-176.5159.80110.3L736 Y738 V766 K767K691-L736 VanDerWaalsContact CE-CD2 3.49Å; K691-L736 VanDerWaalsContact NZ-CD1 3.33Å; K691-Y738 HydrophobicContact CB-CD1 4.16Å; K691-Y738 HydrophobicContact CB-CE1 4.29Å; K691-Y738 HydrophobicContact CD-CD1 4.34Å; K691-Y738 HydrophobicContact CD-CE1 3.63Å; K691-Y738 WeakPolarHBondContact CE-OH 3.27Å; K691-Y738 HydrophobicContact CG-CD1 4.2Å; K691-Y738 HydrophobicContact CG-CE1 3.98Å; K691-Y738 PolarHBondContact NZ-OH 2.91Å; K691-V766 WeakPolarHBondContact O-CA 3.31Å; K691-K767 PolarHBondContact N-O 3.16Å; K691-K767 PolarHBondContact O-N 3.1Å
692I92.7Very high81Confident1 Ų152.1 Ų52.11%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-84.2148.7168.1-49.2175.4000108.4M695 L713 V737 I739 I754 L764 V766I692-M695 HydrophobicContact CD1-SD 4.34Å; I692-M695 HydrophobicContact CG2-CB 4.39Å; I692-M695 HydrophobicContact CG2-SD 4.29Å; I692-L713 HydrophobicContact CD1-CD1 4.08Å; I692-L713 HydrophobicContact CD1-CD2 4.4Å; I692-V737 HydrophobicContact CB-CB 4.29Å; I692-V737 PolarHBondContact N-O 2.77Å; I692-V737 PolarHBondContact O-N 3.18Å; I692-I739 HydrophobicContact CD1-CD1 3.75Å; I692-I739 HydrophobicContact CD1-CG1 4.3Å; I692-I754 HydrophobicContact CD1-CD1 3.87Å; I692-I754 HydrophobicContact CD1-CG2 4.06Å; I692-I754 HydrophobicContact CG1-CG2 4.4Å; I692-I754 HydrophobicContact CG2-CG2 4.39Å; I692-L764 HydrophobicContact CG2-CB 4.27Å; I692-L764 HydrophobicContact CG2-CD1 4.34Å; I692-L764 HydrophobicContact CG2-CD2 4.17Å; I692-V766 HydrophobicContact CG1-CG2 4.26Å
693R90.1Very high81.4Confident71 Ų7156.9 Ų56.927%0.26830%0.304SS..  trans-125.2158.7172.1-62.8171.7177.565.25.6110.2M695 L736 T765R693-M695 VanDerWaalsContact C-N 3.32Å; R693-M695 PolarHBondContact O-N 3.21Å; R693-L736 HydrophobicContact CB-CD2 4.13Å; R693-L736 HydrophobicContact CG-CD2 3.72Å; R693-T765 PolarHBondContact N-O 3.33Å
694N85.7Confident81.7Confident20 Ų2059.5 Ų59.511%0.10730%0.304CS..SBendtrans66.629.8168.7-162.831.8000113.5N734 G735 R762 L763N694-N734 WeakPolarHBondContact CA-O 3.26Å; N694-N734 PolarHBondContact N-O 2.68Å; N694-G735 PolarHBondContact N-O 3.06Å; N694-R762 WeakPolarHBondContact O-CB 3.35Å; N694-R762 VanDerWaalsContact O-CD 3.3Å; N694-R762 WeakPolarHBondContact O-CD 3.33Å; N694-L763 PolarHBondContact ND2-O 3.06Å; N694-L763 VanDerWaalsContact ND2-O 3.1Å
695M84Confident81.7Confident0 Ų055.2 Ų55.20%028%0.282CS..SBendtrans-90.2-12.5-175.6-161.9170.5-177.200113.9W668 I692 R693 I709 L713 G735 V737 F759 L764W668-M695 HydrophobicContact CZ2-CE 4.27Å; I692-M695 HydrophobicContact CD1-SD 4.34Å; I692-M695 HydrophobicContact CG2-CB 4.39Å; I692-M695 HydrophobicContact CG2-SD 4.29Å; R693-M695 VanDerWaalsContact C-N 3.32Å; R693-M695 PolarHBondContact O-N 3.21Å; M695-I709 HydrophobicContact CE-CG2 3.93Å; M695-I709 HydrophobicContact CG-CG2 4.36Å; M695-I709 HydrophobicContact SD-CG2 4.03Å; M695-L713 HydrophobicContact CE-CB 4.2Å; M695-L713 HydrophobicContact CE-CD1 4.07Å; M695-L713 HydrophobicContact CE-CD2 4.38Å; M695-L713 HydrophobicContact CE-CG 4.47Å; M695-L713 HydrophobicContact SD-CD2 4.48Å; M695-G735 PolarHBondContact N-O 3.14Å; M695-V737 HydrophobicContact CB-CG2 4.05Å; M695-V737 HydrophobicContact CG-CG2 4.33Å; M695-V737 HydrophobicContact SD-CB 4.21Å; M695-V737 HydrophobicContact SD-CG2 3.73Å; M695-F759 HydrophobicContact CE-CD1 4.33Å; M695-F759 HydrophobicContact CE-CD2 4.43Å; M695-F759 HydrophobicContact CE-CE1 4.25Å; M695-F759 HydrophobicContact CE-CE2 4.35Å; M695-F759 HydrophobicContact CE-CG 4.42Å; M695-F759 HydrophobicContact CE-CZ 4.26Å; M695-F759 HydrophobicContact CG-CD1 3.87Å; M695-F759 HydrophobicContact CG-CE1 4.12Å; M695-L764 HydrophobicContact CB-CD2 3.77Å; M695-L764 HydrophobicContact CG-CD2 3.94Å
696F82.8Confident81.5Confident9 Ų957.5 Ų57.54%0.03929%0.288CS..SBendtrans-157.6172.1175.356.6-88.6000111I701 I709 L728 D729 G735 V737 R762F696-I701 HydrophobicContact CB-CD1 4.33Å; F696-I701 HydrophobicContact CD1-CD1 4.1Å; F696-I701 HydrophobicContact CD2-CB 4.13Å; F696-I701 HydrophobicContact CD2-CD1 3.58Å; F696-I701 HydrophobicContact CD2-CG1 4.33Å; F696-I701 HydrophobicContact CD2-CG2 4.02Å; F696-I701 HydrophobicContact CE1-CD1 4.25Å; F696-I701 HydrophobicContact CE2-CD1 3.76Å; F696-I701 HydrophobicContact CE2-CG2 4Å; F696-I701 HydrophobicContact CG-CD1 3.77Å; F696-I701 HydrophobicContact CZ-CD1 4.09Å; F696-I709 HydrophobicContact CB-CD1 3.76Å; F696-I709 HydrophobicContact CD1-CD1 4.02Å; F696-I709 HydrophobicContact CG-CD1 4.11Å; F696-L728 HydrophobicContact CE1-CD2 4.17Å; F696-D729 WeakPolarHBondContact CZ-O 3.04Å; F696-G735 VanDerWaalsContact CE1-C 3.41Å; F696-G735 VanDerWaalsContact O-CA 3.25Å; F696-G735 WeakPolarHBondContact O-CA 3.22Å; F696-V737 HydrophobicContact CD1-CG2 4.21Å; F696-V737 HydrophobicContact CE1-CG2 3.8Å; F696-R762 VanDerWaalsContact C-NH1 3.3Å; F696-R762 PolarHBondContact O-NH1 3.3Å; F696-R762 VanDerWaalsContact O-NH1 3.14Å
697S73.8Confident81.4Confident28 Ų2857.6 Ų57.620%0.19628%0.28CS..  trans-96.4135162.2-92.20000109.8E699 S700 R762S697-E699 VanDerWaalsContact C-N 3.25Å; S697-E699 PolarHBondContact O-N 3.3Å; S697-S700 PolarHBondContact O-N 3.49Å; S697-S700 PolarHBondContact O-OG 3.07Å; S697-R762 PolarHBondContact OG-NH1 3.49Å; S697-R762 PolarHBondContact OG-NH2 2.98Å
698T69.6Low81Confident40 Ų4060 Ų6025%0.24529%0.286CS..G310 helixtrans-65.7-29.2-179.8-58.50000112.7S700 S730 G732T698-S700 PolarHBondContact O-N 3.03Å; T698-S730 WeakPolarHBondContact CG2-O 3.41Å; T698-G732 PolarHBondContact OG1-O 3.1Å
699E63Low80.7Confident165 Ų16557.5 Ų57.577%0.77127%0.274SS*.G310 helixtrans-72.5-7179.9-69.5141-159.700114.3S697S697-E699 VanDerWaalsContact C-N 3.25Å; S697-E699 PolarHBondContact O-N 3.3Å
700S62.2Low80.4Confident89 Ų8959.7 Ų59.762%0.62228%0.284SS*.G310 helixtrans-14334.4-166.174.80000114.3S697 T698S697-S700 PolarHBondContact O-N 3.49Å; S697-S700 PolarHBondContact O-OG 3.07Å; T698-S700 PolarHBondContact O-N 3.03Å
701I69.5Low79.9Confident31 Ų3162.8 Ų62.816%0.15930%0.296CS..  trans-119.382.9-172.4-161.6-173.5000114.5F696 R706 I709 L728F696-I701 HydrophobicContact CB-CD1 4.33Å; F696-I701 HydrophobicContact CD1-CD1 4.1Å; F696-I701 HydrophobicContact CD2-CB 4.13Å; F696-I701 HydrophobicContact CD2-CD1 3.58Å; F696-I701 HydrophobicContact CD2-CG1 4.33Å; F696-I701 HydrophobicContact CD2-CG2 4.02Å; F696-I701 HydrophobicContact CE1-CD1 4.25Å; F696-I701 HydrophobicContact CE2-CD1 3.76Å; F696-I701 HydrophobicContact CE2-CG2 4Å; F696-I701 HydrophobicContact CG-CD1 3.77Å; F696-I701 HydrophobicContact CZ-CD1 4.09Å; I701-R706 HydrophobicContact CD1-CG 3.54Å; I701-R706 HydrophobicContact CG1-CG 3.76Å; I701-I709 HydrophobicContact CD1-CD1 3.69Å; I701-I709 HydrophobicContact CG1-CD1 4.31Å; I701-L728 HydrophobicContact CD1-CD2 4Å
702D72.9Confident79.5Confident115 Ų11563.2 Ų63.262%0.61530%0.298SS*.  trans-55.6160.9165.5-61.1-23.3000112.5R704 G705 R706D702-R704 HydrophobicContact CB-CB 4.29Å; D702-R704 PolarHBondContact O-N 3.29Å; D702-G705 CarbonylContact O-C 3.52Å; D702-G705 VanDerWaalsContact O-CA 3.31Å; D702-G705 WeakPolarHBondContact O-CA 3.41Å; D702-G705 PolarHBondContact O-N 3.04Å; D702-R706 WeakPolarHBondContact O-CG 3.42Å; D702-R706 PolarHBondContact O-N 3.38Å
703E78.6Confident79.4Confident127 Ų12763.1 Ų63.159%0.59330%0.298SS*.Hα-helixtrans-59.4-27.8167.5-77.2-61.2158.600112.9R706 K707E703-R706 VanDerWaalsContact CD-CD 3.46Å; E703-R706 VanDerWaalsContact CD-NE 3.25Å; E703-R706 PolarHBondContact O-N 3.04Å; E703-R706 VanDerWaalsContact OE1-CD 3.28Å; E703-R706 WeakPolarHBondContact OE1-CD 3.38Å; E703-R706 IonicContact OE1-CZ 3.59Å; E703-R706 IonicContact OE1-NE 3.5Å; E703-R706 PolarHBondContact OE1-NE 3.41Å; E703-R706 IonicContact OE1-NH2 3.48Å; E703-R706 WeakPolarHBondContact OE2-CD 3.17Å; E703-R706 IonicContact OE2-NE 3.24Å; E703-R706 PolarHBondContact OE2-NE 3.41Å; E703-K707 PolarHBondContact O-N 3.37Å
704R76.1Confident79.3Confident214 Ų21460.2 Ų60.281%0.80829%0.287SS*.Hα-helixtrans-62.5-42.2168.6-63.9-178.2-176.9177.72.3111.6D702 R708D702-R704 HydrophobicContact CB-CB 4.29Å; D702-R704 PolarHBondContact O-N 3.29Å; R704-R708 WeakPolarHBondContact O-CB 3.48Å; R704-R708 PolarHBondContact O-N 3Å
705G77.4Confident79.4Confident20 Ų2064.1 Ų64.121%0.20630%0.304CS..Hα-helixtrans-64.9-41.4173.100000112.5D702 R708 I709D702-G705 CarbonylContact O-C 3.52Å; D702-G705 VanDerWaalsContact O-CA 3.31Å; D702-G705 WeakPolarHBondContact O-CA 3.41Å; D702-G705 PolarHBondContact O-N 3.04Å; G705-R708 PolarHBondContact O-N 2.89Å; G705-I709 WeakPolarHBondContact O-CB 3.21Å; G705-I709 WeakPolarHBondContact O-CD1 3.06Å; G705-I709 VanDerWaalsContact O-CG1 3.3Å; G705-I709 WeakPolarHBondContact O-CG1 3.39Å; G705-I709 PolarHBondContact O-N 3.38Å
706R82.3Confident79.5Confident66 Ų6667.7 Ų67.725%0.24932%0.319CS..Hα-helixtrans-62.1-45.2176.1-65.5165.358.484.4-6.6111.3I701 D702 E703 K710 L728I701-R706 HydrophobicContact CD1-CG 3.54Å; I701-R706 HydrophobicContact CG1-CG 3.76Å; D702-R706 WeakPolarHBondContact O-CG 3.42Å; D702-R706 PolarHBondContact O-N 3.38Å; E703-R706 VanDerWaalsContact CD-CD 3.46Å; E703-R706 VanDerWaalsContact CD-NE 3.25Å; E703-R706 PolarHBondContact O-N 3.04Å; E703-R706 VanDerWaalsContact OE1-CD 3.28Å; E703-R706 WeakPolarHBondContact OE1-CD 3.38Å; E703-R706 IonicContact OE1-CZ 3.59Å; E703-R706 IonicContact OE1-NE 3.5Å; E703-R706 PolarHBondContact OE1-NE 3.41Å; E703-R706 IonicContact OE1-NH2 3.48Å; E703-R706 WeakPolarHBondContact OE2-CD 3.17Å; E703-R706 IonicContact OE2-NE 3.24Å; E703-R706 PolarHBondContact OE2-NE 3.41Å; R706-K710 PolarHBondContact O-N 3.32Å; R706-K710 VanDerWaalsContact O-N 3.1Å; R706-L728 HydrophobicContact CB-CD2 4.36Å; R706-L728 HydrophobicContact CG-CD2 4.3Å
707K83.1Confident79.8Confident89 Ų8967.2 Ų67.239%0.38732%0.317SS..Hα-helixtrans-59.4-51.3170.4-83.7-162.9165.8-159.70112.1E703 I709 K710 R711 E794E703-K707 PolarHBondContact O-N 3.37Å; K707-I709 VanDerWaalsContact C-N 3.32Å; K707-I709 PolarHBondContact O-N 2.71Å; K707-K710 PolarHBondContact O-N 3Å; K707-R711 WeakPolarHBondContact O-CB 3.32Å; K707-R711 PolarHBondContact O-N 3.43Å; K707-E794 PolarHBondContact NZ-OXT 3.44Å
708R82.7Confident80.3Confident77 Ų7769.1 Ų69.129%0.29133%0.334SS..Hα-helixtrans-53.4-47.3178175.7178.8169.6-86.7-4.1111.8T666 R704 G705 R711 E712 D760T666-R708 PolarHBondContact OG1-NH2 2.9Å; R704-R708 WeakPolarHBondContact O-CB 3.48Å; R704-R708 PolarHBondContact O-N 3Å; G705-R708 PolarHBondContact O-N 2.89Å; R708-R711 PolarHBondContact O-N 3.16Å; R708-E712 HydrophobicContact CG-CG 4.38Å; R708-E712 WeakPolarHBondContact O-CG 3.18Å; R708-E712 PolarHBondContact O-N 2.65Å; R708-D760 IonicContact CZ-OD1 2.76Å; R708-D760 IonicContact CZ-OD2 3.62Å; R708-D760 IonicContact NH1-OD1 3.04Å; R708-D760 IonicContact NH1-OD2 3.32Å; R708-D760 PolarHBondContact NH1-OD2 2.92Å; R708-D760 IonicContact NH2-OD1 3.34Å; R708-D760 PolarHBondContact NH2-OD1 2.84Å; R708-D760 IonicContact NH2-OD2 3.3Å
709I86Confident81.1Confident5 Ų572.6 Ų72.63%0.02636%0.358CS..Hα-helixtrans-65.1-42.4-179.3-69.9160.9000111.2M695 F696 I701 G705 K707 L713 L728 V737 F759M695-I709 HydrophobicContact CE-CG2 3.93Å; M695-I709 HydrophobicContact CG-CG2 4.36Å; M695-I709 HydrophobicContact SD-CG2 4.03Å; F696-I709 HydrophobicContact CB-CD1 3.76Å; F696-I709 HydrophobicContact CD1-CD1 4.02Å; F696-I709 HydrophobicContact CG-CD1 4.11Å; I701-I709 HydrophobicContact CD1-CD1 3.69Å; I701-I709 HydrophobicContact CG1-CD1 4.31Å; G705-I709 WeakPolarHBondContact O-CB 3.21Å; G705-I709 WeakPolarHBondContact O-CD1 3.06Å; G705-I709 VanDerWaalsContact O-CG1 3.3Å; G705-I709 WeakPolarHBondContact O-CG1 3.39Å; G705-I709 PolarHBondContact O-N 3.38Å; K707-I709 VanDerWaalsContact C-N 3.32Å; K707-I709 PolarHBondContact O-N 2.71Å; I709-L713 WeakPolarHBondContact O-CB 3.3Å; I709-L713 PolarHBondContact O-N 2.98Å; I709-L713 VanDerWaalsContact O-N 3.08Å; I709-L728 HydrophobicContact CB-CD2 4.12Å; I709-L728 HydrophobicContact CD1-CD2 4.39Å; I709-L728 HydrophobicContact CG2-CD2 3.84Å; I709-V737 HydrophobicContact CG2-CG2 4.31Å; I709-F759 HydrophobicContact CG1-CE1 4.42Å
710K87.8Confident82.1Confident47 Ų4765.3 Ų65.320%0.20433%0.325CS..Hα-helixtrans-61.4-45.6173-71.4-168.1177.1-164.10111.9R706 K707 L713 L714 I726 L728 F793R706-K710 PolarHBondContact O-N 3.32Å; R706-K710 VanDerWaalsContact O-N 3.1Å; K707-K710 PolarHBondContact O-N 3Å; K710-L713 PolarHBondContact O-N 2.73Å; K710-L714 WeakPolarHBondContact O-CB 3.42Å; K710-L714 WeakPolarHBondContact O-CG 3.04Å; K710-L714 PolarHBondContact O-N 3Å; K710-I726 WeakPolarHBondContact CE-O 3.31Å; K710-I726 HydrophobicContact CG-CG2 4.16Å; K710-I726 PolarHBondContact NZ-O 3.24Å; K710-L728 HydrophobicContact CD-CD1 4.09Å; K710-L728 HydrophobicContact CG-CD1 3.58Å; K710-F793 HydrophobicContact CB-CD1 4.01Å; K710-F793 HydrophobicContact CB-CE1 4.3Å; K710-F793 HydrophobicContact CB-CG 4.22Å; K710-F793 HydrophobicContact CD-CD1 3.77Å; K710-F793 HydrophobicContact CD-CE1 3.31Å; K710-F793 HydrophobicContact CD-CZ 3.87Å; K710-F793 HydrophobicContact CG-CE1 4.43Å
711R85.8Confident83.3Confident66 Ų6662.4 Ų62.425%0.24931%0.309CS..Hα-helixtrans-62.2-50.3-178.5-162.5-172.5-58175.82.5112.2K707 R708 L713 L714 K715 I790 F793 E794K707-R711 WeakPolarHBondContact O-CB 3.32Å; K707-R711 PolarHBondContact O-N 3.43Å; R708-R711 PolarHBondContact O-N 3.16Å; R711-L713 VanDerWaalsContact C-N 3.27Å; R711-L713 PolarHBondContact O-N 3.41Å; R711-L714 PolarHBondContact O-N 2.86Å; R711-K715 WeakPolarHBondContact O-CB 3.12Å; R711-K715 WeakPolarHBondContact O-CG 3.4Å; R711-K715 PolarHBondContact O-N 3.09Å; R711-I790 HydrophobicContact CG-CG2 4.44Å; R711-F793 HydrophobicContact CB-CB 4.45Å; R711-F793 PolarHBondContact NE-O 3.41Å; R711-F793 PolarHBondContact NH2-O 2.89Å; R711-E794 VanDerWaalsContact NH2-CA 3.34Å; R711-E794 PolarHBondContact NH2-O 3.38Å
712E84.7Confident84.4Confident47 Ų4763.6 Ų63.622%0.2232%0.319CS..Hα-helixtrans-70.4-22.9178.7-66.1-50.4125.500113.5W668 R708 K715 K716 F759W668-E712 PolarHBondContact NE1-O 3.23Å; R708-E712 HydrophobicContact CG-CG 4.38Å; R708-E712 WeakPolarHBondContact O-CG 3.18Å; R708-E712 PolarHBondContact O-N 2.65Å; E712-K715 WeakPolarHBondContact OE1-CD 3.32Å; E712-K715 WeakPolarHBondContact OE1-CE 3.43Å; E712-K715 IonicContact OE1-NZ 3.43Å; E712-K715 PolarHBondContact OE1-NZ 3.08Å; E712-K716 WeakPolarHBondContact O-CB 3.32Å; E712-K716 PolarHBondContact O-N 3.41Å; E712-F759 HydrophobicContact CB-CE2 4.07Å; E712-F759 HydrophobicContact CB-CZ 4.48Å
713L88.7Confident85.3Confident0 Ų058.5 Ų58.50%029%0.291CS..Hα-helixtrans-75.4-46.1171.7-17455000111.6W668 I692 M695 I709 K710 R711 K716 L717 I726 V737 I739 I754W668-L713 HydrophobicContact CZ2-CD1 4.27Å; I692-L713 HydrophobicContact CD1-CD1 4.08Å; I692-L713 HydrophobicContact CD1-CD2 4.4Å; M695-L713 HydrophobicContact CE-CB 4.2Å; M695-L713 HydrophobicContact CE-CD1 4.07Å; M695-L713 HydrophobicContact CE-CD2 4.38Å; M695-L713 HydrophobicContact CE-CG 4.47Å; M695-L713 HydrophobicContact SD-CD2 4.48Å; I709-L713 WeakPolarHBondContact O-CB 3.3Å; I709-L713 PolarHBondContact O-N 2.98Å; I709-L713 VanDerWaalsContact O-N 3.08Å; K710-L713 PolarHBondContact O-N 2.73Å; R711-L713 VanDerWaalsContact C-N 3.27Å; R711-L713 PolarHBondContact O-N 3.41Å; L713-K716 PolarHBondContact O-N 2.94Å; L713-L717 HydrophobicContact CD1-CD1 3.77Å; L713-L717 HydrophobicContact CD1-CG 4.31Å; L713-L717 HydrophobicContact CG-CD1 4.13Å; L713-L717 WeakPolarHBondContact O-CB 3.48Å; L713-L717 VanDerWaalsContact O-CG 3.26Å; L713-L717 WeakPolarHBondContact O-CG 3.27Å; L713-L717 PolarHBondContact O-N 2.8Å; L713-L717 VanDerWaalsContact O-N 3.15Å; L713-I726 HydrophobicContact CD2-CD1 4.13Å; L713-I726 HydrophobicContact CD2-CG2 3.87Å; L713-I726 HydrophobicContact CG-CD1 4.33Å; L713-V737 HydrophobicContact CD2-CG1 3.78Å; L713-I739 HydrophobicContact CD1-CD1 4.08Å; L713-I739 HydrophobicContact CD2-CD1 3.95Å; L713-I739 HydrophobicContact CD2-CG1 4.28Å; L713-I739 HydrophobicContact CG-CD1 4.2Å; L713-I754 HydrophobicContact CD1-CD1 3.35Å
714L89.5Confident85.9Confident9 Ų953.4 Ų53.45%0.04727%0.268CS..Hα-helixtrans-64.8-45.3177.1-73.3163.6000111.6K710 R711 K716 L717 A718 I723 I726 L788 I790 F793K710-L714 WeakPolarHBondContact O-CB 3.42Å; K710-L714 WeakPolarHBondContact O-CG 3.04Å; K710-L714 PolarHBondContact O-N 3Å; R711-L714 PolarHBondContact O-N 2.86Å; L714-K716 VanDerWaalsContact C-N 3.26Å; L714-K716 PolarHBondContact O-N 3.48Å; L714-L717 CarbonylContact O-C 3.59Å; L714-L717 PolarHBondContact O-N 3.36Å; L714-A718 PolarHBondContact O-N 3.46Å; L714-I723 HydrophobicContact CD2-CD1 4.14Å; L714-I726 HydrophobicContact CD1-CD1 4.28Å; L714-I726 HydrophobicContact CD2-CD1 3.68Å; L714-I726 HydrophobicContact CG-CD1 3.71Å; L714-L788 HydrophobicContact CD2-CB 4.19Å; L714-I790 HydrophobicContact CB-CG1 3.89Å; L714-F793 HydrophobicContact CD1-CD2 3.31Å; L714-F793 HydrophobicContact CD1-CE2 3.45Å; L714-F793 VanDerWaalsContact CD1-CE2 3.45Å; L714-F793 HydrophobicContact CD1-CG 4.32Å
715K87.1Confident86.7Confident103 Ų10344.1 Ų44.145%0.44823%0.234SC..Hα-helixtrans-52.2-42.8172-75.6173.9179.5175.80112.8R711 E712 L717 I790R711-K715 WeakPolarHBondContact O-CB 3.12Å; R711-K715 WeakPolarHBondContact O-CG 3.4Å; R711-K715 PolarHBondContact O-N 3.09Å; E712-K715 WeakPolarHBondContact OE1-CD 3.32Å; E712-K715 WeakPolarHBondContact OE1-CE 3.43Å; E712-K715 IonicContact OE1-NZ 3.43Å; E712-K715 PolarHBondContact OE1-NZ 3.08Å; K715-L717 VanDerWaalsContact C-N 3.29Å; K715-L717 PolarHBondContact O-N 2.91Å; K715-I790 HydrophobicContact CG-CD1 4.34Å
716K86.1Confident87.4Confident74 Ų7443.2 Ų43.232%0.32222%0.224SC..Hα-helixtrans-71.8-22.2179.7-177.858179.2167.50113.3W668 E712 L713 L714 S753W668-K716 HydrophobicContact CD2-CB 4.45Å; W668-K716 HydrophobicContact CD2-CD 4.27Å; W668-K716 HydrophobicContact CD2-CG 4.01Å; W668-K716 HydrophobicContact CE3-CG 4.38Å; W668-K716 HydrophobicContact CH2-CG 4.06Å; W668-K716 HydrophobicContact CZ2-CB 3.78Å; W668-K716 HydrophobicContact CZ2-CG 3.65Å; W668-K716 HydrophobicContact CZ3-CG 4.39Å; E712-K716 WeakPolarHBondContact O-CB 3.32Å; E712-K716 PolarHBondContact O-N 3.41Å; L713-K716 PolarHBondContact O-N 2.94Å; L714-K716 VanDerWaalsContact C-N 3.26Å; L714-K716 PolarHBondContact O-N 3.48Å; K716-S753 VanDerWaalsContact CE-O 3.25Å; K716-S753 WeakPolarHBondContact CE-O 3.16Å; K716-S753 WeakPolarHBondContact CE-OG 3.39Å; K716-S753 PolarHBondContact O-OG 3.27Å
717L89Confident87.8Confident0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-113.4-8.7-171.7-63-178000115.4L713 L714 K715 P719 C720 I723 I739 V750 I754L713-L717 HydrophobicContact CD1-CD1 3.77Å; L713-L717 HydrophobicContact CD1-CG 4.31Å; L713-L717 HydrophobicContact CG-CD1 4.13Å; L713-L717 WeakPolarHBondContact O-CB 3.48Å; L713-L717 VanDerWaalsContact O-CG 3.26Å; L713-L717 WeakPolarHBondContact O-CG 3.27Å; L713-L717 PolarHBondContact O-N 2.8Å; L713-L717 VanDerWaalsContact O-N 3.15Å; L714-L717 CarbonylContact O-C 3.59Å; L714-L717 PolarHBondContact O-N 3.36Å; K715-L717 VanDerWaalsContact C-N 3.29Å; K715-L717 PolarHBondContact O-N 2.91Å; L717-P719 VanDerWaalsContact C-CD 3.42Å; L717-P719 VanDerWaalsContact C-N 3.29Å; L717-C720 WeakPolarHBondContact O-CA 3.09Å; L717-C720 VanDerWaalsContact O-CB 3.24Å; L717-C720 WeakPolarHBondContact O-CB 3.46Å; L717-C720 PolarHBondContact O-N 3.19Å; L717-I723 HydrophobicContact CB-CD1 3.55Å; L717-I723 HydrophobicContact CD1-CD1 3.58Å; L717-I723 HydrophobicContact CG-CD1 4.25Å; L717-I739 HydrophobicContact CD1-CD1 3.68Å; L717-V750 HydrophobicContact CD1-CB 4.45Å; L717-V750 HydrophobicContact CD1-CG1 3.55Å; L717-V750 HydrophobicContact CD1-CG2 4.11Å; L717-V750 HydrophobicContact CD2-CB 4.17Å; L717-V750 HydrophobicContact CD2-CG1 3.81Å; L717-V750 HydrophobicContact CD2-CG2 4.01Å; L717-V750 HydrophobicContact CG-CG1 4.3Å; L717-V750 HydrophobicContact CG-CG2 4.46Å; L717-I754 HydrophobicContact CD1-CD1 3.78Å; L717-I754 HydrophobicContact CD2-CD1 3.74Å; L717-I754 HydrophobicContact CD2-CG1 3.94Å; L717-I754 HydrophobicContact CG-CD1 4.01Å
718A84.1Confident88Confident67 Ų6736.7 Ų36.755%0.55420%0.2SC*.G310 helixtrans-43.7-45.5169.200000113.9L714 C720L714-A718 PolarHBondContact O-N 3.46Å; A718-C720 PolarHBondContact O-N 3.06Å
719P86.3Confident88.1Confident114 Ų11433.2 Ų33.274%0.7419%0.187SC*.G310 helixtrans-73.8-1.9176.430.2-37.6000115.1L717L717-P719 VanDerWaalsContact C-CD 3.42Å; L717-P719 VanDerWaalsContact C-N 3.29Å
720C84.9Confident87.5Confident12 Ų1236.1 Ų36.18%0.08121%0.207CC..G310 helixtrans-92-24.6-179.5-61.40000113.6L717 A718 R749 V750L717-C720 WeakPolarHBondContact O-CA 3.09Å; L717-C720 VanDerWaalsContact O-CB 3.24Å; L717-C720 WeakPolarHBondContact O-CB 3.46Å; L717-C720 PolarHBondContact O-N 3.19Å; A718-C720 PolarHBondContact O-N 3.06Å; C720-R749 HydrophobicContact CB-CB 4.15Å; C720-R749 PolarHBondContact O-NE 2.95Å; C720-R749 PolarHBondContact O-NH2 3.47Å; C720-V750 HydrophobicContact CB-CG2 3.75Å
721G87.7Confident86.6Confident28 Ų2838.7 Ų38.729%0.28923%0.227SC..  trans119.1-172-176.600000114.1
722P91.1Very high85.6Confident56 Ų5637.6 Ų37.636%0.36424%0.236SC..  trans-68.4132.2-167.726.6-35.1000114.1G742 T746 P787P722-G742 PolarHBondContact O-N 2.87Å; P722-T746 WeakPolarHBondContact O-CG2 3.3Å; P722-P787 HydrophobicContact CB-CB 4.01Å
723I92.4Very high84.6Confident7 Ų739.8 Ų39.84%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-114.5122174-65.3166.6000108.8L714 L717 I726 I739 P787 L788L714-I723 HydrophobicContact CD2-CD1 4.14Å; L717-I723 HydrophobicContact CB-CD1 3.55Å; L717-I723 HydrophobicContact CD1-CD1 3.58Å; L717-I723 HydrophobicContact CG-CD1 4.25Å; I723-I726 HydrophobicContact CG2-CD1 4.1Å; I723-I726 HydrophobicContact CG2-CG1 3.77Å; I723-I739 HydrophobicContact CG1-CG2 4.33Å; I723-I739 HydrophobicContact CG2-CG2 3.71Å; I723-P787 CarbonylContact O-C 3.09Å; I723-P787 VanDerWaalsContact O-CA 3.28Å; I723-P787 WeakPolarHBondContact O-CA 3.42Å; I723-L788 HydrophobicContact CG2-CD1 4.44Å; I723-L788 PolarHBondContact O-N 3.05Å
724L91.3Very high83.7Confident20 Ų2043.8 Ų43.811%0.10527%0.274CS..EExtended strand (participates in β ladder)trans-86.6-39.3-177.9-59.6178.9000112.2K740 I784 Q786L724-K740 HydrophobicContact CB-CG 4.43Å; L724-K740 HydrophobicContact CD1-CG 4.48Å; L724-K740 PolarHBondContact N-O 3.27Å; L724-I784 HydrophobicContact CB-CG2 4.41Å; L724-I784 VanDerWaalsContact O-CG2 3.32Å; L724-I784 WeakPolarHBondContact O-CG2 3.47Å; L724-Q786 WeakPolarHBondContact CD2-O 3.46Å
725H92.4Very high83.3Confident20 Ų2043.4 Ų43.49%0.09327%0.272CS..EExtended strand (participates in β ladder)trans-149.4144.9-176.8-168.1-110000113.6I739 K740 Y774 E780 A781H725-I739 CarbonylContact O-C 3.57Å; H725-I739 WeakPolarHBondContact O-CA 3.46Å; H725-K740 HydrophobicContact CB-CB 4.21Å; H725-K740 PolarHBondContact N-O 3.38Å; H725-K740 PolarHBondContact O-N 3.05Å; H725-Y774 HydrophobicContact CB-CE1 4.49Å; H725-Y774 AromaticContact ND1-CE1 3.62Å; H725-Y774 AromaticContact ND1-CZ 3.74Å; H725-Y774 PolarHBondContact ND1-OH 3.47Å; H725-Y774 PolarHBondContact O-OH 2.62Å; H725-E780 IonicContact CE1-OE1 3.13Å; H725-E780 IonicContact NE2-OE1 3.86Å; H725-A781 HydrophobicContact CB-CB 3.88Å
726I92.6Very high83.5Confident0 Ų039.2 Ų39.20%026%0.255CS..EExtended strand (participates in β ladder)trans-132.1101.7173-57.1177.6000108.9K710 L713 L714 I723 L728 V737 Y738 L788K710-I726 WeakPolarHBondContact CE-O 3.31Å; K710-I726 HydrophobicContact CG-CG2 4.16Å; K710-I726 PolarHBondContact NZ-O 3.24Å; L713-I726 HydrophobicContact CD2-CD1 4.13Å; L713-I726 HydrophobicContact CD2-CG2 3.87Å; L713-I726 HydrophobicContact CG-CD1 4.33Å; L714-I726 HydrophobicContact CD1-CD1 4.28Å; L714-I726 HydrophobicContact CD2-CD1 3.68Å; L714-I726 HydrophobicContact CG-CD1 3.71Å; I723-I726 HydrophobicContact CG2-CD1 4.1Å; I723-I726 HydrophobicContact CG2-CG1 3.77Å; I726-L728 HydrophobicContact CG2-CD1 4.22Å; I726-V737 HydrophobicContact CG2-CG1 3.78Å; I726-Y738 WeakPolarHBondContact CA-O 3.27Å; I726-L788 HydrophobicContact CB-CD1 4.38Å; I726-L788 HydrophobicContact CD1-CD1 4.3Å; I726-L788 HydrophobicContact CG1-CD1 3.98Å
727G89.7Confident83.8Confident5 Ų535.7 Ų35.75%0.05224%0.239CC..EExtended strand (participates in β ladder)trans-95.3130.8174.100000111.9Y738G727-Y738 PolarHBondContact N-O 3.24Å; G727-Y738 PolarHBondContact O-N 3.33Å
728L88.8Confident84Confident14 Ų1436.3 Ų36.37%0.07324%0.242CC..EExtended strand (participates in β ladder)trans-103.9132.9173.3-73.986.9000110.2F696 I701 R706 I709 K710 I726 V737F696-L728 HydrophobicContact CE1-CD2 4.17Å; I701-L728 HydrophobicContact CD1-CD2 4Å; R706-L728 HydrophobicContact CB-CD2 4.36Å; R706-L728 HydrophobicContact CG-CD2 4.3Å; I709-L728 HydrophobicContact CB-CD2 4.12Å; I709-L728 HydrophobicContact CD1-CD2 4.39Å; I709-L728 HydrophobicContact CG2-CD2 3.84Å; K710-L728 HydrophobicContact CD-CD1 4.09Å; K710-L728 HydrophobicContact CG-CD1 3.58Å; I726-L728 HydrophobicContact CG2-CD1 4.22Å; L728-V737 HydrophobicContact CD2-CG2 4.47Å; L728-V737 HydrophobicContact CG-CG1 4.47Å; L728-V737 HydrophobicContact CG-CG2 4.19Å
729D83.2Confident84.5Confident4 Ų433.1 Ų33.12%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-123.3109.1-168.9171.622.7000110.4F696 V731 L736 Y738 R777F696-D729 WeakPolarHBondContact CZ-O 3.04Å; D729-V731 VanDerWaalsContact C-N 3.3Å; D729-V731 VanDerWaalsContact OD1-CB 3.25Å; D729-V731 WeakPolarHBondContact OD1-CB 3.46Å; D729-V731 WeakPolarHBondContact OD1-CG2 3.33Å; D729-V731 PolarHBondContact OD1-N 3.31Å; D729-L736 HydrophobicContact CB-CB 3.88Å; D729-L736 PolarHBondContact N-O 2.87Å; D729-L736 PolarHBondContact O-N 2.8Å; D729-L736 WeakPolarHBondContact OD2-CD1 3.4Å; D729-Y738 HydrophobicContact CB-CD2 3.98Å; D729-Y738 HydrophobicContact CB-CE2 3.42Å; D729-Y738 VanDerWaalsContact CB-CE2 3.42Å; D729-Y738 WeakPolarHBondContact OD2-CE2 3.41Å; D729-Y738 PolarHBondContact OD2-OH 3.39Å; D729-R777 VanDerWaalsContact CG-NH1 3.33Å; D729-R777 IonicContact OD1-CZ 3.16Å; D729-R777 IonicContact OD1-NH1 3.17Å; D729-R777 PolarHBondContact OD1-NH1 2.65Å; D729-R777 VanDerWaalsContact OD1-NH1 3.17Å; D729-R777 IonicContact OD1-NH2 2.67Å; D729-R777 PolarHBondContact OD1-NH2 3.07Å; D729-R777 IonicContact OD2-CZ 3.14Å; D729-R777 IonicContact OD2-NE 3.48Å; D729-R777 PolarHBondContact OD2-NE 3.29Å; D729-R777 IonicContact OD2-NH1 3.67Å; D729-R777 IonicContact OD2-NH2 3Å; D729-R777 PolarHBondContact OD2-NH2 3.33Å
730S74.1Confident84.8Confident65 Ų6528.3 Ų28.346%0.45518%0.183SC..  trans-82.51.3175.946.40000113.6T698 G732T698-S730 WeakPolarHBondContact CG2-O 3.41Å; S730-G732 PolarHBondContact O-N 3.21Å
731V68.3Low85.2Confident101 Ų10127.8 Ų27.861%0.61218%0.179SC*.SBendtrans-77.296.5-176.6-174.20000110.6D729D729-V731 VanDerWaalsContact C-N 3.3Å; D729-V731 VanDerWaalsContact OD1-CB 3.25Å; D729-V731 WeakPolarHBondContact OD1-CB 3.46Å; D729-V731 WeakPolarHBondContact OD1-CG2 3.33Å; D729-V731 PolarHBondContact OD1-N 3.31Å
732G65.5Low85.3Confident44 Ų4428 Ų2845%0.45418%0.181SC..SBendtrans97.3159.5-179.600000113.2T698 S730 N734T698-G732 PolarHBondContact OG1-O 3.1Å; S730-G732 PolarHBondContact O-N 3.21Å; G732-N734 PolarHBondContact O-N 2.88Å
733T63.9Low85.3Confident92 Ų9228.8 Ų28.856%0.56418%0.183SC*.THydrogen-bonded Turntrans-64-2.6-170.752.40000116.4
734N69.4Low85.3Confident85 Ų8531.3 Ų31.346%0.45520%0.199SC..THydrogen-bonded Turntrans-99.817.1-161.1-78.2-91.4000115.3N694 G732 L736N694-N734 WeakPolarHBondContact CA-O 3.26Å; N694-N734 PolarHBondContact N-O 2.68Å; G732-N734 PolarHBondContact O-N 2.88Å; N734-L736 HydrophobicContact CB-CD2 4.17Å; N734-L736 HydrophobicContact CB-CG 4.47Å; N734-L736 WeakPolarHBondContact O-CD2 3.45Å
735G82.4Confident85.3Confident0 Ų036.6 Ų36.60%022%0.223CC..  trans47.669.9169.400000114.6N694 M695 F696N694-G735 PolarHBondContact N-O 3.06Å; M695-G735 PolarHBondContact N-O 3.14Å; F696-G735 VanDerWaalsContact CE1-C 3.41Å; F696-G735 VanDerWaalsContact O-CA 3.25Å; F696-G735 WeakPolarHBondContact O-CA 3.22Å
736L89.6Confident85.3Confident15 Ų1535.7 Ų35.78%0.07922%0.219CC..EExtended strand (participates in β ladder)trans-97.6131.9-164.8-60.8176.6000111.9K691 R693 D729 N734 Y738K691-L736 VanDerWaalsContact CE-CD2 3.49Å; K691-L736 VanDerWaalsContact NZ-CD1 3.33Å; R693-L736 HydrophobicContact CB-CD2 4.13Å; R693-L736 HydrophobicContact CG-CD2 3.72Å; D729-L736 HydrophobicContact CB-CB 3.88Å; D729-L736 PolarHBondContact N-O 2.87Å; D729-L736 PolarHBondContact O-N 2.8Å; D729-L736 WeakPolarHBondContact OD2-CD1 3.4Å; N734-L736 HydrophobicContact CB-CD2 4.17Å; N734-L736 HydrophobicContact CB-CG 4.47Å; N734-L736 WeakPolarHBondContact O-CD2 3.45Å; L736-Y738 HydrophobicContact CB-CE2 3.86Å
737V92.3Very high85.3Confident0 Ų035.7 Ų35.70%022%0.219CC..EExtended strand (participates in β ladder)trans-129.1136.9176.7-173.40000109.7I692 M695 F696 I709 L713 I726 L728I692-V737 HydrophobicContact CB-CB 4.29Å; I692-V737 PolarHBondContact N-O 2.77Å; I692-V737 PolarHBondContact O-N 3.18Å; M695-V737 HydrophobicContact CB-CG2 4.05Å; M695-V737 HydrophobicContact CG-CG2 4.33Å; M695-V737 HydrophobicContact SD-CB 4.21Å; M695-V737 HydrophobicContact SD-CG2 3.73Å; F696-V737 HydrophobicContact CD1-CG2 4.21Å; F696-V737 HydrophobicContact CE1-CG2 3.8Å; I709-V737 HydrophobicContact CG2-CG2 4.31Å; L713-V737 HydrophobicContact CD2-CG1 3.78Å; I726-V737 HydrophobicContact CG2-CG1 3.78Å; L728-V737 HydrophobicContact CD2-CG2 4.47Å; L728-V737 HydrophobicContact CG-CG1 4.47Å; L728-V737 HydrophobicContact CG-CG2 4.19Å
738Y93.9Very high85.4Confident13 Ų1335.7 Ų35.75%0.05122%0.22CC..EExtended strand (participates in β ladder)trans-123.7121.5-174.4-62.9-113.4000109.4L690 K691 I726 G727 D729 L736 L769 Y774 R777 F778L690-Y738 CarbonylContact O-C 3.57Å; L690-Y738 VanDerWaalsContact O-CA 3.3Å; L690-Y738 WeakPolarHBondContact O-CA 3.21Å; K691-Y738 HydrophobicContact CB-CD1 4.16Å; K691-Y738 HydrophobicContact CB-CE1 4.29Å; K691-Y738 HydrophobicContact CD-CD1 4.34Å; K691-Y738 HydrophobicContact CD-CE1 3.63Å; K691-Y738 WeakPolarHBondContact CE-OH 3.27Å; K691-Y738 HydrophobicContact CG-CD1 4.2Å; K691-Y738 HydrophobicContact CG-CE1 3.98Å; K691-Y738 PolarHBondContact NZ-OH 2.91Å; I726-Y738 WeakPolarHBondContact CA-O 3.27Å; G727-Y738 PolarHBondContact N-O 3.24Å; G727-Y738 PolarHBondContact O-N 3.33Å; D729-Y738 HydrophobicContact CB-CD2 3.98Å; D729-Y738 HydrophobicContact CB-CE2 3.42Å; D729-Y738 VanDerWaalsContact CB-CE2 3.42Å; D729-Y738 WeakPolarHBondContact OD2-CE2 3.41Å; D729-Y738 PolarHBondContact OD2-OH 3.39Å; L736-Y738 HydrophobicContact CB-CE2 3.86Å; Y738-L769 HydrophobicContact CD1-CD2 3.77Å; Y738-L769 HydrophobicContact CE1-CD2 4Å; Y738-Y774 PolarHBondContact O-OH 3.07Å; Y738-R777 PolarHBondContact OH-NE 3.44Å; Y738-F778 HydrophobicContact CD1-CE2 4.27Å; Y738-F778 AromaticContact CD2-CE2 3.87Å; Y738-F778 HydrophobicContact CD2-CE2 3.87Å; Y738-F778 HydrophobicContact CD2-CZ 4.2Å; Y738-F778 HydrophobicContact CE2-CE2 4.5Å; Y738-F778 AromaticContact CG-CE2 3.74Å; Y738-F778 HydrophobicContact CG-CE2 3.74Å; Y738-F778 HydrophobicContact CG-CZ 4.5Å
739I93.9Very high85.4Confident0 Ų040.2 Ų40.20%024%0.236CC..EExtended strand (participates in β ladder)trans-109.3137.2179.7-52.4179.6000109.5C689 L690 I692 L713 L717 I723 H725 V750 I754 Y774C689-I739 CarbonylContact C-O 3.56Å; C689-I739 VanDerWaalsContact CA-O 3.31Å; C689-I739 WeakPolarHBondContact CA-O 3.37Å; L690-I739 HydrophobicContact CB-CB 4.44Å; L690-I739 PolarHBondContact N-O 2.99Å; L690-I739 PolarHBondContact O-N 2.89Å; I692-I739 HydrophobicContact CD1-CD1 3.75Å; I692-I739 HydrophobicContact CD1-CG1 4.3Å; L713-I739 HydrophobicContact CD1-CD1 4.08Å; L713-I739 HydrophobicContact CD2-CD1 3.95Å; L713-I739 HydrophobicContact CD2-CG1 4.28Å; L713-I739 HydrophobicContact CG-CD1 4.2Å; L717-I739 HydrophobicContact CD1-CD1 3.68Å; I723-I739 HydrophobicContact CG1-CG2 4.33Å; I723-I739 HydrophobicContact CG2-CG2 3.71Å; H725-I739 CarbonylContact O-C 3.57Å; H725-I739 WeakPolarHBondContact O-CA 3.46Å; I739-V750 HydrophobicContact CD1-CG1 4.01Å; I739-I754 HydrophobicContact CD1-CD1 4.47Å; I739-Y774 VanDerWaalsContact C-CE2 3.44Å; I739-Y774 WeakPolarHBondContact O-CE2 3.34Å
740K93.7Very high85.8Confident14 Ų1440 Ų406%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-111.5118.6163.1-179.7172.6171.8120.10108.6E688 L724 H725 D771 Y774 A781E688-K740 HydrophobicContact CG-CG 4.47Å; E688-K740 WeakPolarHBondContact OE1-CE 3.44Å; E688-K740 IonicContact OE1-NZ 3.63Å; E688-K740 PolarHBondContact OE1-NZ 3.49Å; L724-K740 HydrophobicContact CB-CG 4.43Å; L724-K740 HydrophobicContact CD1-CG 4.48Å; L724-K740 PolarHBondContact N-O 3.27Å; H725-K740 HydrophobicContact CB-CB 4.21Å; H725-K740 PolarHBondContact N-O 3.38Å; H725-K740 PolarHBondContact O-N 3.05Å; K740-D771 VanDerWaalsContact NZ-CG 3.29Å; K740-D771 IonicContact NZ-OD1 2.79Å; K740-D771 PolarHBondContact NZ-OD1 3.26Å; K740-D771 IonicContact NZ-OD2 3.47Å; K740-D771 PolarHBondContact NZ-OD2 2.9Å; K740-Y774 HydrophobicContact CB-CE1 4.14Å; K740-Y774 HydrophobicContact CB-CE2 4.12Å; K740-A781 HydrophobicContact CD-CB 4.36Å; K740-A781 WeakPolarHBondContact CD-O 3.35Å
741C93.3Very high86.6Confident0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-89.7165175.4-63.80000111E688 D743 T746 A747E688-C741 WeakPolarHBondContact O-CB 3.36Å; E688-C741 PolarHBondContact O-N 2.79Å; C741-D743 VanDerWaalsContact C-N 3.32Å; C741-T746 HydrophobicContact CB-CG2 3.89Å; C741-A747 HydrophobicContact CB-CB 4.05Å
742G90.3Very high87.5Confident32 Ų3238 Ų3833%0.3321%0.211SC..SBendtrans-66.7-32.4172.500000113.6P722P722-G742 PolarHBondContact O-N 2.87Å
743D90.4Very high88.6Confident74 Ų7437.1 Ų37.140%0.39620%0.198SC..SBendtrans-136.3154-174.9-33.7-91.8000111.3C741 E745 T746 A747C741-D743 VanDerWaalsContact C-N 3.32Å; D743-E745 VanDerWaalsContact C-N 3.28Å; D743-E745 PolarHBondContact O-N 3.35Å; D743-T746 WeakPolarHBondContact O-CB 3.45Å; D743-T746 PolarHBondContact O-N 2.88Å; D743-T746 PolarHBondContact OD2-OG1 2.85Å; D743-A747 PolarHBondContact O-N 3.44Å
744P92Very high89.8Confident59 Ų5932.8 Ų32.838%0.38317%0.171SC..Hα-helixtrans-60.1-37.2168.325.6-34.2000112P685 T746 A747 G748P685-P744 VanDerWaalsContact CB-O 3.28Å; P685-P744 WeakPolarHBondContact CB-O 3.1Å; P685-P744 VanDerWaalsContact CG-C 3.46Å; P685-P744 HydrophobicContact CG-CB 4.33Å; P685-P744 WeakPolarHBondContact CG-O 3.39Å; P744-T746 PolarHBondContact O-N 3.16Å; P744-A747 CarbonylContact O-C 3.38Å; P744-A747 WeakPolarHBondContact O-CB 3.46Å; P744-A747 PolarHBondContact O-N 3.08Å; P744-G748 PolarHBondContact O-N 3.05Å
745E91.6Very high90.7Very high131 Ų13131.7 Ų31.761%0.61216%0.163SC*.Hα-helixtrans-62.4-42.4175.4-64.9-166.6179.200112.6D743 A747 G748 R749D743-E745 VanDerWaalsContact C-N 3.28Å; D743-E745 PolarHBondContact O-N 3.35Å; E745-A747 VanDerWaalsContact C-N 3.33Å; E745-G748 CarbonylContact O-C 3.52Å; E745-G748 VanDerWaalsContact O-CA 3.31Å; E745-G748 WeakPolarHBondContact O-CA 3.39Å; E745-G748 PolarHBondContact O-N 3.36Å; E745-R749 PolarHBondContact O-N 2.86Å; E745-R749 IonicContact OE2-NH1 3.18Å
746T92.5Very high90.8Very high1 Ų132.3 Ų32.31%0.00617%0.168CC..Hα-helixtrans-61.1-43.7174.9-60.80000110.1P722 C741 D743 P744 G748 R749 V750P722-T746 WeakPolarHBondContact O-CG2 3.3Å; C741-T746 HydrophobicContact CB-CG2 3.89Å; D743-T746 WeakPolarHBondContact O-CB 3.45Å; D743-T746 PolarHBondContact O-N 2.88Å; D743-T746 PolarHBondContact OD2-OG1 2.85Å; P744-T746 PolarHBondContact O-N 3.16Å; T746-G748 VanDerWaalsContact C-N 3.29Å; T746-G748 PolarHBondContact O-N 3.48Å; T746-R749 PolarHBondContact O-N 3.34Å; T746-R749 PolarHBondContact OG1-NH2 2.85Å; T746-V750 VanDerWaalsContact O-CG2 3.28Å; T746-V750 WeakPolarHBondContact O-CG2 3.47Å; T746-V750 PolarHBondContact O-N 3.2Å
747A92.7Very high90.6Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-62-33.8170.600000113.1T687 E688 L690 C741 D743 P744 E745 F751 F768T687-A747 WeakPolarHBondContact O-CB 3.37Å; E688-A747 WeakPolarHBondContact O-CB 3.33Å; L690-A747 HydrophobicContact CD1-CB 4.3Å; L690-A747 HydrophobicContact CD2-CB 4.41Å; L690-A747 HydrophobicContact CG-CB 4.2Å; C741-A747 HydrophobicContact CB-CB 4.05Å; D743-A747 PolarHBondContact O-N 3.44Å; P744-A747 CarbonylContact O-C 3.38Å; P744-A747 WeakPolarHBondContact O-CB 3.46Å; P744-A747 PolarHBondContact O-N 3.08Å; E745-A747 VanDerWaalsContact C-N 3.33Å; A747-F751 WeakPolarHBondContact O-CB 3.45Å; A747-F751 PolarHBondContact O-N 2.71Å; A747-F768 HydrophobicContact CB-CE1 4.22Å
748G91.1Very high90.2Very high6 Ų633.3 Ų33.36%0.06217%0.172CC..Hα-helixtrans-60.2-47.4170.600000112.6P744 E745 T746 F751 H752P744-G748 PolarHBondContact O-N 3.05Å; E745-G748 CarbonylContact O-C 3.52Å; E745-G748 VanDerWaalsContact O-CA 3.31Å; E745-G748 WeakPolarHBondContact O-CA 3.39Å; E745-G748 PolarHBondContact O-N 3.36Å; T746-G748 VanDerWaalsContact C-N 3.29Å; T746-G748 PolarHBondContact O-N 3.48Å; G748-F751 WeakPolarHBondContact O-CB 3.39Å; G748-F751 PolarHBondContact O-N 3.42Å; G748-H752 PolarHBondContact O-N 3.01Å; G748-H752 PolarHBondContact O-ND1 2.84Å
749R89.6Confident89.7Confident108 Ų10832.7 Ų32.741%0.40817%0.17SC..Hα-helixtrans-67.5-43.2177.4-64.7-174.1-61.2-92.5-0.1111.8C720 E745 T746 F751 H752 S753C720-R749 HydrophobicContact CB-CB 4.15Å; C720-R749 PolarHBondContact O-NE 2.95Å; C720-R749 PolarHBondContact O-NH2 3.47Å; E745-R749 PolarHBondContact O-N 2.86Å; E745-R749 IonicContact OE2-NH1 3.18Å; T746-R749 PolarHBondContact O-N 3.34Å; T746-R749 PolarHBondContact OG1-NH2 2.85Å; R749-F751 VanDerWaalsContact C-N 3.32Å; R749-F751 PolarHBondContact O-N 2.97Å; R749-H752 PolarHBondContact O-N 3.32Å; R749-S753 PolarHBondContact O-N 2.86Å
750V92Very high88.9Confident1 Ų134.9 Ų34.91%0.00618%0.181CC..Hα-helixtrans-59.4-40.2173.9171.90000111.8L690 L717 C720 I739 T746 H752 S753 I754L690-V750 HydrophobicContact CD1-CB 3.79Å; L690-V750 HydrophobicContact CD1-CG1 3.37Å; L717-V750 HydrophobicContact CD1-CB 4.45Å; L717-V750 HydrophobicContact CD1-CG1 3.55Å; L717-V750 HydrophobicContact CD1-CG2 4.11Å; L717-V750 HydrophobicContact CD2-CB 4.17Å; L717-V750 HydrophobicContact CD2-CG1 3.81Å; L717-V750 HydrophobicContact CD2-CG2 4.01Å; L717-V750 HydrophobicContact CG-CG1 4.3Å; L717-V750 HydrophobicContact CG-CG2 4.46Å; C720-V750 HydrophobicContact CB-CG2 3.75Å; I739-V750 HydrophobicContact CD1-CG1 4.01Å; T746-V750 VanDerWaalsContact O-CG2 3.28Å; T746-V750 WeakPolarHBondContact O-CG2 3.47Å; T746-V750 PolarHBondContact O-N 3.2Å; V750-H752 PolarHBondContact O-N 3.4Å; V750-S753 PolarHBondContact O-N 3.35Å; V750-I754 HydrophobicContact CG1-CD1 4.27Å; V750-I754 PolarHBondContact O-N 3.49Å
751F91.4Very high88Confident23 Ų2335.7 Ų35.710%0.10119%0.194CC..Hα-helixtrans-58.2-48.5175-179-80.9000111.3F682 L690 A747 G748 R749 S753 I754 H755 V766 F768F682-F751 AromaticContact CE1-CD1 3.81Å; F682-F751 HydrophobicContact CE1-CD1 3.81Å; F682-F751 AromaticContact CE1-CE1 3.85Å; F682-F751 HydrophobicContact CE1-CE1 3.85Å; F682-F751 HydrophobicContact CE1-CG 4.25Å; F682-F751 HydrophobicContact CE1-CZ 4.3Å; F682-F751 AromaticContact CZ-CD1 3.98Å; F682-F751 HydrophobicContact CZ-CD1 3.98Å; F682-F751 HydrophobicContact CZ-CE1 4.46Å; F682-F751 HydrophobicContact CZ-CG 4.31Å; L690-F751 HydrophobicContact CD2-CB 4.39Å; L690-F751 HydrophobicContact CD2-CD2 4.33Å; A747-F751 WeakPolarHBondContact O-CB 3.45Å; A747-F751 PolarHBondContact O-N 2.71Å; G748-F751 WeakPolarHBondContact O-CB 3.39Å; G748-F751 PolarHBondContact O-N 3.42Å; R749-F751 VanDerWaalsContact C-N 3.32Å; R749-F751 PolarHBondContact O-N 2.97Å; F751-S753 VanDerWaalsContact C-N 3.35Å; F751-S753 PolarHBondContact O-N 3.46Å; F751-I754 PolarHBondContact O-N 2.92Å; F751-H755 HydrophobicContact CD1-CB 4.03Å; F751-H755 HydrophobicContact CE1-CB 3.78Å; F751-H755 AromaticContact CE1-CG 3.76Å; F751-H755 AromaticContact CE1-ND1 3.84Å; F751-H755 HydrophobicContact CE2-CB 4.5Å; F751-H755 AromaticContact CE2-ND1 3.59Å; F751-H755 HydrophobicContact CG-CB 4.49Å; F751-H755 HydrophobicContact CZ-CB 4.04Å; F751-H755 AromaticContact CZ-CE1 3.79Å; F751-H755 AromaticContact CZ-CG 3.64Å; F751-H755 AromaticContact CZ-ND1 3.21Å; F751-H755 WeakPolarHBondContact CZ-ND1 3.46Å; F751-H755 WeakPolarHBondContact O-CB 3.48Å; F751-H755 PolarHBondContact O-N 3.36Å; F751-V766 HydrophobicContact CD2-CB 3.88Å; F751-V766 HydrophobicContact CD2-CG1 3.68Å; F751-V766 HydrophobicContact CE2-CB 4Å; F751-V766 HydrophobicContact CE2-CG1 4.21Å; F751-V766 WeakPolarHBondContact CE2-O 3.44Å; F751-F768 HydrophobicContact CB-CE2 4.34Å; F751-F768 HydrophobicContact CB-CZ 3.98Å; F751-F768 HydrophobicContact CD2-CD2 4.08Å; F751-F768 AromaticContact CD2-CE2 3.5Å; F751-F768 HydrophobicContact CD2-CE2 3.5Å; F751-F768 VanDerWaalsContact CD2-CE2 3.5Å; F751-F768 AromaticContact CD2-CZ 3.98Å; F751-F768 HydrophobicContact CD2-CZ 3.98Å; F751-F768 HydrophobicContact CE2-CD2 4.24Å; F751-F768 AromaticContact CE2-CE2 3.9Å; F751-F768 HydrophobicContact CE2-CE2 3.9Å; F751-F768 AromaticContact CG-CE2 3.93Å; F751-F768 HydrophobicContact CG-CE2 3.93Å; F751-F768 HydrophobicContact CG-CZ 4.09Å
752H86.9Confident87.3Confident101 Ų10139.2 Ų39.247%0.46821%0.207SC..Hα-helixtrans-66.9-32.7178.9-68.390000113.1P680 F682 G748 R749 V750 I754P680-H752 WeakPolarHBondContact CG-NE2 3.43Å; F682-H752 AromaticContact CZ-CE1 3.58Å; G748-H752 PolarHBondContact O-N 3.01Å; G748-H752 PolarHBondContact O-ND1 2.84Å; R749-H752 PolarHBondContact O-N 3.32Å; V750-H752 PolarHBondContact O-N 3.4Å; H752-I754 VanDerWaalsContact C-N 3.26Å; H752-I754 PolarHBondContact O-N 3.27Å
753S87.3Confident87.1Confident24 Ų2439.1 Ų39.117%0.16820%0.199CC..Hα-helixtrans-72.2-14.3178.8-1660000114.2K716 R749 V750 F751 N757K716-S753 VanDerWaalsContact CE-O 3.25Å; K716-S753 WeakPolarHBondContact CE-O 3.16Å; K716-S753 WeakPolarHBondContact CE-OG 3.39Å; K716-S753 PolarHBondContact O-OG 3.27Å; R749-S753 PolarHBondContact O-N 2.86Å; V750-S753 PolarHBondContact O-N 3.35Å; F751-S753 VanDerWaalsContact C-N 3.35Å; F751-S753 PolarHBondContact O-N 3.46Å; S753-N757 PolarHBondContact O-ND2 3.16Å
754I89.8Confident87Confident1 Ų135.6 Ų35.61%0.00518%0.18CC..Hα-helixtrans-126.5-33.4-173-63-173.2000113.9W668 I692 L713 L717 I739 V750 F751 H752 A756 N757 L764 V766W668-I754 HydrophobicContact CH2-CB 4.4Å; W668-I754 HydrophobicContact CH2-CD1 4.02Å; W668-I754 HydrophobicContact CH2-CG1 3.78Å; W668-I754 HydrophobicContact CH2-CG2 4.11Å; W668-I754 HydrophobicContact CZ3-CG1 4.3Å; W668-I754 HydrophobicContact CZ3-CG2 4.38Å; I692-I754 HydrophobicContact CD1-CD1 3.87Å; I692-I754 HydrophobicContact CD1-CG2 4.06Å; I692-I754 HydrophobicContact CG1-CG2 4.4Å; I692-I754 HydrophobicContact CG2-CG2 4.39Å; L713-I754 HydrophobicContact CD1-CD1 3.35Å; L717-I754 HydrophobicContact CD1-CD1 3.78Å; L717-I754 HydrophobicContact CD2-CD1 3.74Å; L717-I754 HydrophobicContact CD2-CG1 3.94Å; L717-I754 HydrophobicContact CG-CD1 4.01Å; I739-I754 HydrophobicContact CD1-CD1 4.47Å; V750-I754 HydrophobicContact CG1-CD1 4.27Å; V750-I754 PolarHBondContact O-N 3.49Å; F751-I754 PolarHBondContact O-N 2.92Å; H752-I754 VanDerWaalsContact C-N 3.26Å; H752-I754 PolarHBondContact O-N 3.27Å; I754-A756 PolarHBondContact O-N 2.54Å; I754-N757 WeakPolarHBondContact O-CB 3.39Å; I754-N757 PolarHBondContact O-N 3.34Å; I754-N757 VanDerWaalsContact O-N 3.08Å; I754-L764 HydrophobicContact CG2-CB 4.3Å; I754-L764 HydrophobicContact CG2-CD1 3.79Å; I754-V766 HydrophobicContact CB-CG2 3.95Å; I754-V766 HydrophobicContact CG2-CG2 3.5Å
755H88.3Confident86.9Confident63 Ų6335.4 Ų35.429%0.29218%0.178SC..THydrogen-bonded Turntrans-62.5132.3-174.2-169.199.5000111.5F751 N757 V766F751-H755 HydrophobicContact CD1-CB 4.03Å; F751-H755 HydrophobicContact CE1-CB 3.78Å; F751-H755 AromaticContact CE1-CG 3.76Å; F751-H755 AromaticContact CE1-ND1 3.84Å; F751-H755 HydrophobicContact CE2-CB 4.5Å; F751-H755 AromaticContact CE2-ND1 3.59Å; F751-H755 HydrophobicContact CG-CB 4.49Å; F751-H755 HydrophobicContact CZ-CB 4.04Å; F751-H755 AromaticContact CZ-CE1 3.79Å; F751-H755 AromaticContact CZ-CG 3.64Å; F751-H755 AromaticContact CZ-ND1 3.21Å; F751-H755 WeakPolarHBondContact CZ-ND1 3.46Å; F751-H755 WeakPolarHBondContact O-CB 3.48Å; F751-H755 PolarHBondContact O-N 3.36Å; H755-N757 PolarHBondContact O-N 2.93Å; H755-V766 HydrophobicContact CB-CB 4.32Å; H755-V766 HydrophobicContact CB-CG2 4.15Å; H755-V766 PolarHBondContact ND1-O 3Å
756A84.8Confident86.9Confident12 Ų1229.3 Ų29.310%0.09915%0.15CC..THydrogen-bonded Turntrans61.117-175.700000115.2S671 A672 L673 I754 L763 L764S671-A756 PolarHBondContact OG-O 3.43Å; A672-A756 HydrophobicContact CB-CB 4.46Å; A672-A756 WeakPolarHBondContact CB-O 3.18Å; A672-A756 PolarHBondContact N-O 3.04Å; L673-A756 HydrophobicContact CD1-CB 3.9Å; L673-A756 HydrophobicContact CG-CB 3.88Å; I754-A756 PolarHBondContact O-N 2.54Å; A756-L763 HydrophobicContact CB-CD1 4.44Å; A756-L763 VanDerWaalsContact O-CD1 3.27Å; A756-L763 WeakPolarHBondContact O-CD1 3.4Å; A756-L764 PolarHBondContact N-O 2.86Å; A756-L764 VanDerWaalsContact N-O 3.13Å
757N86.1Confident86.9Confident18 Ų1835.4 Ų35.410%0.09618%0.176CC..EExtended strand (participates in β ladder)trans-87.4151.9170.2-69.3-12.2000112.2W668 G670 S671 S753 I754 H755 L764W668-N757 HydrophobicContact CE3-CB 4.18Å; W668-N757 HydrophobicContact CZ3-CB 4.01Å; G670-N757 CarbonylContact O-C 3.56Å; G670-N757 WeakPolarHBondContact O-CA 3.34Å; S671-N757 WeakPolarHBondContact CA-OD1 3.48Å; S671-N757 WeakPolarHBondContact CB-OD1 3.3Å; S671-N757 PolarHBondContact OG-OD1 2.77Å; S753-N757 PolarHBondContact O-ND2 3.16Å; I754-N757 WeakPolarHBondContact O-CB 3.39Å; I754-N757 PolarHBondContact O-N 3.34Å; I754-N757 VanDerWaalsContact O-N 3.08Å; H755-N757 PolarHBondContact O-N 2.93Å; N757-L764 WeakPolarHBondContact O-CB 3.3Å; N757-L764 WeakPolarHBondContact O-CG 3.41Å; N757-L764 PolarHBondContact O-N 3.47Å
758Y82.1Confident86.9Confident19 Ų1937.5 Ų37.58%0.07519%0.186CC..EExtended strand (participates in β ladder)trans-92.3133.3173.9-67.9-82.1000111P23 Y32 Q669 G670 A672 R762 L763P23-Y758 HydrophobicContact CG-CD1 4.21Å; P23-Y758 HydrophobicContact CG-CE1 3.57Å; Y32-Y758 PolarHBondContact OH-OH 3.01Å; Q669-Y758 PolarHBondContact N-O 3.37Å; G670-Y758 PolarHBondContact O-N 3.14Å; A672-Y758 HydrophobicContact CB-CE2 3.62Å; Y758-R762 VanDerWaalsContact CA-O 3.32Å; Y758-R762 WeakPolarHBondContact CA-O 3.45Å; Y758-L763 HydrophobicContact CD1-CB 4.12Å; Y758-L763 HydrophobicContact CD1-CD1 4.3Å; Y758-L763 HydrophobicContact CD2-CD1 4.49Å; Y758-L763 HydrophobicContact CE1-CB 3.83Å; Y758-L763 HydrophobicContact CE1-CD1 4.03Å; Y758-L763 HydrophobicContact CE1-CG 4.47Å; Y758-L763 HydrophobicContact CE2-CD1 4.26Å
759F83.3Confident87Confident0 Ų038.6 Ų38.60%019%0.19CC..EExtended strand (participates in β ladder)trans-138.7130.7174.2179.3-89.9000109.7G667 W668 M695 I709 E712 G761 R762 L764G667-F759 WeakPolarHBondContact O-CA 3.44Å; W668-F759 AromaticContact CD2-CD2 3.96Å; W668-F759 HydrophobicContact CD2-CD2 3.96Å; W668-F759 AromaticContact CE2-CD2 3.85Å; W668-F759 HydrophobicContact CE3-CD2 4.47Å; W668-F759 HydrophobicContact CG-CD2 4.21Å; W668-F759 HydrophobicContact CZ2-CD2 4.26Å; M695-F759 HydrophobicContact CE-CD1 4.33Å; M695-F759 HydrophobicContact CE-CD2 4.43Å; M695-F759 HydrophobicContact CE-CE1 4.25Å; M695-F759 HydrophobicContact CE-CE2 4.35Å; M695-F759 HydrophobicContact CE-CG 4.42Å; M695-F759 HydrophobicContact CE-CZ 4.26Å; M695-F759 HydrophobicContact CG-CD1 3.87Å; M695-F759 HydrophobicContact CG-CE1 4.12Å; I709-F759 HydrophobicContact CG1-CE1 4.42Å; E712-F759 HydrophobicContact CB-CE2 4.07Å; E712-F759 HydrophobicContact CB-CZ 4.48Å; F759-G761 PolarHBondContact O-N 2.84Å; F759-R762 PolarHBondContact N-O 3Å; F759-R762 WeakPolarHBondContact O-CB 3.38Å; F759-R762 PolarHBondContact O-N 3.1Å; F759-L764 HydrophobicContact CB-CD1 3.79Å; F759-L764 HydrophobicContact CB-CD2 4.2Å; F759-L764 HydrophobicContact CB-CG 4.03Å
760D78.4Confident87.1Confident45 Ų4542.9 Ų42.924%0.24121%0.206CC..THydrogen-bonded Turntrans47.644.4-177.3-67.3-6.7000112.9G665 T666 G667 R708 R762G665-D760 WeakPolarHBondContact O-CA 3.05Å; T666-D760 WeakPolarHBondContact CA-OD1 3.41Å; T666-D760 WeakPolarHBondContact CB-OD1 2.95Å; G667-D760 PolarHBondContact N-OD1 2.8Å; G667-D760 PolarHBondContact O-N 3.22Å; R708-D760 IonicContact CZ-OD1 2.76Å; R708-D760 IonicContact CZ-OD2 3.62Å; R708-D760 IonicContact NH1-OD1 3.04Å; R708-D760 IonicContact NH1-OD2 3.32Å; R708-D760 PolarHBondContact NH1-OD2 2.92Å; R708-D760 IonicContact NH2-OD1 3.34Å; R708-D760 PolarHBondContact NH2-OD1 2.84Å; R708-D760 IonicContact NH2-OD2 3.3Å; D760-R762 VanDerWaalsContact C-N 3.28Å; D760-R762 PolarHBondContact O-N 2.94Å
761G73.4Confident87Confident32 Ų3244.6 Ų44.633%0.3322%0.215SC..THydrogen-bonded Turntrans80.8-7.9-176.900000115.8F759F759-G761 PolarHBondContact O-N 2.84Å
762R80.5Confident87Confident73 Ų7349.5 Ų49.528%0.27524%0.242SC..EExtended strand (participates in β ladder)trans-111.1131.6-164-63.1171.3-163.9-131.2-0.4112.5N694 F696 S697 Y758 F759 D760 L764N694-R762 WeakPolarHBondContact O-CB 3.35Å; N694-R762 VanDerWaalsContact O-CD 3.3Å; N694-R762 WeakPolarHBondContact O-CD 3.33Å; F696-R762 VanDerWaalsContact C-NH1 3.3Å; F696-R762 PolarHBondContact O-NH1 3.3Å; F696-R762 VanDerWaalsContact O-NH1 3.14Å; S697-R762 PolarHBondContact OG-NH1 3.49Å; S697-R762 PolarHBondContact OG-NH2 2.98Å; Y758-R762 VanDerWaalsContact CA-O 3.32Å; Y758-R762 WeakPolarHBondContact CA-O 3.45Å; F759-R762 PolarHBondContact N-O 3Å; F759-R762 WeakPolarHBondContact O-CB 3.38Å; F759-R762 PolarHBondContact O-N 3.1Å; D760-R762 VanDerWaalsContact C-N 3.28Å; D760-R762 PolarHBondContact O-N 2.94Å; R762-L764 PolarHBondContact O-N 3.45Å
763L85.5Confident87.2Confident30 Ų3051.5 Ų51.516%0.15725%0.249CC..EExtended strand (participates in β ladder)trans-70.7118.4172.5-173.964.2000110.4T28 A672 N694 A756 Y758T28-L763 HydrophobicContact CG2-CB 3.98Å; T28-L763 HydrophobicContact CG2-CD2 3.88Å; A672-L763 HydrophobicContact CB-CD1 3.75Å; N694-L763 PolarHBondContact ND2-O 3.06Å; N694-L763 VanDerWaalsContact ND2-O 3.1Å; A756-L763 HydrophobicContact CB-CD1 4.44Å; A756-L763 VanDerWaalsContact O-CD1 3.27Å; A756-L763 WeakPolarHBondContact O-CD1 3.4Å; Y758-L763 HydrophobicContact CD1-CB 4.12Å; Y758-L763 HydrophobicContact CD1-CD1 4.3Å; Y758-L763 HydrophobicContact CD2-CD1 4.49Å; Y758-L763 HydrophobicContact CE1-CB 3.83Å; Y758-L763 HydrophobicContact CE1-CD1 4.03Å; Y758-L763 HydrophobicContact CE1-CG 4.47Å; Y758-L763 HydrophobicContact CE2-CD1 4.26Å
764L88.7Confident87.5Confident0 Ų050.3 Ų50.30%024%0.241CC..  trans-82.3132.4177.7-59.4-174.8000111.3W668 I692 M695 I754 A756 N757 F759 R762W668-L764 HydrophobicContact CH2-CD1 3.71Å; W668-L764 HydrophobicContact CZ3-CD1 3.63Å; I692-L764 HydrophobicContact CG2-CB 4.27Å; I692-L764 HydrophobicContact CG2-CD1 4.34Å; I692-L764 HydrophobicContact CG2-CD2 4.17Å; M695-L764 HydrophobicContact CB-CD2 3.77Å; M695-L764 HydrophobicContact CG-CD2 3.94Å; I754-L764 HydrophobicContact CG2-CB 4.3Å; I754-L764 HydrophobicContact CG2-CD1 3.79Å; A756-L764 PolarHBondContact N-O 2.86Å; A756-L764 VanDerWaalsContact N-O 3.13Å; N757-L764 WeakPolarHBondContact O-CB 3.3Å; N757-L764 WeakPolarHBondContact O-CG 3.41Å; N757-L764 PolarHBondContact O-N 3.47Å; F759-L764 HydrophobicContact CB-CD1 3.79Å; F759-L764 HydrophobicContact CB-CD2 4.2Å; F759-L764 HydrophobicContact CB-CG 4.03Å; R762-L764 PolarHBondContact O-N 3.45Å
765T89.5Confident87.5Confident56 Ų5651.3 Ų51.334%0.34425%0.248SC..  trans-122.1108.2175.456.40000111.9R693R693-T765 PolarHBondContact N-O 3.33Å
766V91.3Very high87.6Confident3 Ų355.7 Ų55.72%0.01827%0.273CS..  trans-88.2139.8-179.9-166.80000110.4L690 K691 I692 F751 I754 H755L690-V766 HydrophobicContact CB-CG1 4.12Å; L690-V766 HydrophobicContact CD1-CG1 4.41Å; L690-V766 HydrophobicContact CD2-CG1 4.01Å; L690-V766 HydrophobicContact CG-CG1 4.43Å; K691-V766 WeakPolarHBondContact O-CA 3.31Å; I692-V766 HydrophobicContact CG1-CG2 4.26Å; F751-V766 HydrophobicContact CD2-CB 3.88Å; F751-V766 HydrophobicContact CD2-CG1 3.68Å; F751-V766 HydrophobicContact CE2-CB 4Å; F751-V766 HydrophobicContact CE2-CG1 4.21Å; F751-V766 WeakPolarHBondContact CE2-O 3.44Å; I754-V766 HydrophobicContact CB-CG2 3.95Å; I754-V766 HydrophobicContact CG2-CG2 3.5Å; H755-V766 HydrophobicContact CB-CB 4.32Å; H755-V766 HydrophobicContact CB-CG2 4.15Å; H755-V766 PolarHBondContact ND1-O 3Å
767K91.7Very high87.8Confident128 Ų12859.5 Ų59.556%0.55729%0.285SS*.EExtended strand (participates in β ladder)trans-136.6144.7164.4-64.3-169.3-179-171.50110.4K691K691-K767 PolarHBondContact N-O 3.16Å; K691-K767 PolarHBondContact O-N 3.1Å
768F93.4Very high88.1Confident45 Ų4559.6 Ų59.620%0.19728%0.284CS..EExtended strand (participates in β ladder)trans-62.1152.1171.7-72.1-83.6000112.5F682 P685 P686 T687 L690 A747 F751F682-F768 AromaticContact CD1-CE2 3.89Å; F682-F768 HydrophobicContact CD1-CE2 3.89Å; F682-F768 AromaticContact CE1-CE2 3.53Å; F682-F768 HydrophobicContact CE1-CE2 3.53Å; F682-F768 HydrophobicContact CE1-CZ 4Å; F682-F768 HydrophobicContact CE2-CE2 4.47Å; F682-F768 HydrophobicContact CE2-CZ 4.21Å; F682-F768 AromaticContact CZ-CE2 3.85Å; F682-F768 HydrophobicContact CZ-CE2 3.85Å; F682-F768 AromaticContact CZ-CZ 3.8Å; F682-F768 HydrophobicContact CZ-CZ 3.8Å; P685-F768 HydrophobicContact CB-CE1 3.79Å; P685-F768 HydrophobicContact CB-CZ 3.84Å; P686-F768 HydrophobicContact CG-CB 3.87Å; P686-F768 HydrophobicContact CG-CD1 4.03Å; P686-F768 HydrophobicContact CG-CD2 3.99Å; P686-F768 HydrophobicContact CG-CG 3.68Å; T687-F768 WeakPolarHBondContact O-CD1 3.38Å; T687-F768 WeakPolarHBondContact OG1-CB 3.29Å; T687-F768 WeakPolarHBondContact OG1-CD1 3.27Å; L690-F768 HydrophobicContact CD2-CD1 3.49Å; L690-F768 VanDerWaalsContact CD2-CD1 3.49Å; L690-F768 HydrophobicContact CD2-CD2 4.5Å; L690-F768 HydrophobicContact CD2-CE1 3.52Å; L690-F768 HydrophobicContact CD2-CE2 4.5Å; L690-F768 HydrophobicContact CD2-CG 4.02Å; L690-F768 HydrophobicContact CD2-CZ 4.04Å; A747-F768 HydrophobicContact CB-CE1 4.22Å; F751-F768 HydrophobicContact CB-CE2 4.34Å; F751-F768 HydrophobicContact CB-CZ 3.98Å; F751-F768 HydrophobicContact CD2-CD2 4.08Å; F751-F768 AromaticContact CD2-CE2 3.5Å; F751-F768 HydrophobicContact CD2-CE2 3.5Å; F751-F768 VanDerWaalsContact CD2-CE2 3.5Å; F751-F768 AromaticContact CD2-CZ 3.98Å; F751-F768 HydrophobicContact CD2-CZ 3.98Å; F751-F768 HydrophobicContact CE2-CD2 4.24Å; F751-F768 AromaticContact CE2-CE2 3.9Å; F751-F768 HydrophobicContact CE2-CE2 3.9Å; F751-F768 AromaticContact CG-CE2 3.93Å; F751-F768 HydrophobicContact CG-CE2 3.93Å; F751-F768 HydrophobicContact CG-CZ 4.09Å
769L92.6Very high88.5Confident28 Ų2863 Ų6315%0.14731%0.309CS..EExtended strand (participates in β ladder)trans-139.6135.6-179.3-171.568.4000110.2T687 C689 Y738 K773 Y774T687-L769 VanDerWaalsContact CB-O 3.23Å; T687-L769 WeakPolarHBondContact CB-O 2.94Å; T687-L769 PolarHBondContact OG1-N 2.8Å; T687-L769 PolarHBondContact OG1-O 3.14Å; C689-L769 HydrophobicContact CB-CB 4.34Å; C689-L769 WeakPolarHBondContact CB-O 3.44Å; C689-L769 PolarHBondContact O-N 3.17Å; Y738-L769 HydrophobicContact CD1-CD2 3.77Å; Y738-L769 HydrophobicContact CE1-CD2 4Å; L769-K773 HydrophobicContact CD1-CB 4.15Å; L769-K773 HydrophobicContact CD1-CD 4.1Å; L769-K773 HydrophobicContact CD1-CG 4Å; L769-K773 HydrophobicContact CG-CB 4.37Å; L769-Y774 HydrophobicContact CD2-CD2 4.29Å
770R92.4Very high88.7Confident199 Ų19967.1 Ų67.175%0.75133%0.328SS*.  trans-67.2138.2174.8-57.9-176.5-170.3174.12.2110.5T687 N772 K773 Y774T687-R770 HydrophobicContact CG2-CG 4.43Å; R770-N772 VanDerWaalsContact C-N 3.33Å; R770-N772 PolarHBondContact O-N 3.03Å; R770-K773 WeakPolarHBondContact O-CA 3.47Å; R770-K773 PolarHBondContact O-N 2.53Å; R770-Y774 PolarHBondContact O-N 2.89Å
771D90.7Very high89.2Confident36 Ų3665 Ų6519%0.19332%0.317CS..Hα-helixtrans-55.5-43.1-176.5-175.356.3000113.2C689 K740 K773 Y774 C775C689-D771 PolarHBondContact SG-OD1 3.46Å; K740-D771 VanDerWaalsContact NZ-CG 3.29Å; K740-D771 IonicContact NZ-OD1 2.79Å; K740-D771 PolarHBondContact NZ-OD1 3.26Å; K740-D771 IonicContact NZ-OD2 3.47Å; K740-D771 PolarHBondContact NZ-OD2 2.9Å; D771-K773 PolarHBondContact O-N 2.73Å; D771-Y774 CarbonylContact O-C 3.52Å; D771-Y774 WeakPolarHBondContact O-CA 3.34Å; D771-Y774 VanDerWaalsContact O-CB 3.29Å; D771-Y774 WeakPolarHBondContact O-CB 3.37Å; D771-Y774 PolarHBondContact O-N 3.42Å; D771-C775 PolarHBondContact O-N 3.16Å
772N91.4Very high89.7Confident126 Ų12670 Ų7067%0.67433%0.331SS*.Hα-helixtrans-52-34.6174.6-53.247.7000112.7R770 L776R770-N772 VanDerWaalsContact C-N 3.33Å; R770-N772 PolarHBondContact O-N 3.03Å; N772-L776 VanDerWaalsContact O-CB 3.29Å; N772-L776 WeakPolarHBondContact O-CB 3.5Å; N772-L776 WeakPolarHBondContact O-CD1 3.35Å; N772-L776 WeakPolarHBondContact O-CG 3.16Å; N772-L776 PolarHBondContact O-N 2.74Å
773K91.3Very high90Very high143 Ų14371 Ų7162%0.62235%0.35SS*.Hα-helixtrans-86.6-13.5177.9-170.4161.1-178.3160.10113.3L769 R770 D771L769-K773 HydrophobicContact CD1-CB 4.15Å; L769-K773 HydrophobicContact CD1-CD 4.1Å; L769-K773 HydrophobicContact CD1-CG 4Å; L769-K773 HydrophobicContact CG-CB 4.37Å; R770-K773 WeakPolarHBondContact O-CA 3.47Å; R770-K773 PolarHBondContact O-N 2.53Å; D771-K773 PolarHBondContact O-N 2.73Å
774Y92.7Very high90Very high0 Ų072.2 Ų72.20%036%0.356CS..Hα-helixtrans-77.9-54.5165-163.1-72.5000110C689 H725 Y738 I739 K740 L769 R770 D771 L776 R777 F778 A781C689-Y774 HydrophobicContact CB-CD2 3.63Å; C689-Y774 HydrophobicContact CB-CE2 4.36Å; C689-Y774 HydrophobicContact CB-CG 4.21Å; H725-Y774 HydrophobicContact CB-CE1 4.49Å; H725-Y774 AromaticContact ND1-CE1 3.62Å; H725-Y774 AromaticContact ND1-CZ 3.74Å; H725-Y774 PolarHBondContact ND1-OH 3.47Å; H725-Y774 PolarHBondContact O-OH 2.62Å; Y738-Y774 PolarHBondContact O-OH 3.07Å; I739-Y774 VanDerWaalsContact C-CE2 3.44Å; I739-Y774 WeakPolarHBondContact O-CE2 3.34Å; K740-Y774 HydrophobicContact CB-CE1 4.14Å; K740-Y774 HydrophobicContact CB-CE2 4.12Å; L769-Y774 HydrophobicContact CD2-CD2 4.29Å; R770-Y774 PolarHBondContact O-N 2.89Å; D771-Y774 CarbonylContact O-C 3.52Å; D771-Y774 WeakPolarHBondContact O-CA 3.34Å; D771-Y774 VanDerWaalsContact O-CB 3.29Å; D771-Y774 WeakPolarHBondContact O-CB 3.37Å; D771-Y774 PolarHBondContact O-N 3.42Å; Y774-L776 VanDerWaalsContact C-N 3.32Å; Y774-L776 PolarHBondContact O-N 3.34Å; Y774-R777 WeakPolarHBondContact O-CA 3.42Å; Y774-R777 WeakPolarHBondContact O-CB 3.31Å; Y774-R777 PolarHBondContact O-N 2.87Å; Y774-F778 HydrophobicContact CD1-CB 4.17Å; Y774-F778 HydrophobicContact CD1-CD2 4.16Å; Y774-F778 HydrophobicContact CE1-CB 3.86Å; Y774-F778 AromaticContact CE1-CD2 3.79Å; Y774-F778 HydrophobicContact CE1-CD2 3.79Å; Y774-F778 HydrophobicContact CE1-CG 4.19Å; Y774-F778 PolarHBondContact O-N 2.84Å; Y774-A781 HydrophobicContact CD1-CB 3.81Å; Y774-A781 HydrophobicContact CE1-CB 3.42Å; Y774-A781 VanDerWaalsContact CE1-CB 3.42Å
775C90.2Very high89.8Confident22 Ų2280.9 Ų80.915%0.14939%0.394CS..Hα-helixtrans-62.6-31.9179.5-65.20000113.6D771 R777 F778 P779D771-C775 PolarHBondContact O-N 3.16Å; C775-R777 PolarHBondContact O-N 2.84Å; C775-R777 VanDerWaalsContact O-N 3.16Å; C775-F778 CarbonylContact O-C 3.47Å; C775-P779 VanDerWaalsContact O-CA 3.26Å; C775-P779 WeakPolarHBondContact O-CA 3.39Å; C775-P779 VanDerWaalsContact O-N 3.15Å
776L90.6Very high89.7Confident155 Ų15585.8 Ų85.881%0.81241%0.413SS*.THydrogen-bonded Turntrans-64.5-11.2170-81.8170.5000114.3N772 Y774N772-L776 VanDerWaalsContact O-CB 3.29Å; N772-L776 WeakPolarHBondContact O-CB 3.5Å; N772-L776 WeakPolarHBondContact O-CD1 3.35Å; N772-L776 WeakPolarHBondContact O-CG 3.16Å; N772-L776 PolarHBondContact O-N 2.74Å; Y774-L776 VanDerWaalsContact C-N 3.32Å; Y774-L776 PolarHBondContact O-N 3.34Å
777R88.9Confident89.6Confident92 Ų9289 Ų8935%0.34743%0.433SS..THydrogen-bonded Turntrans-114.8-31.1-179.6-165.5176.4-142.7-61.2-0.3113.3D729 Y738 Y774 C775D729-R777 VanDerWaalsContact CG-NH1 3.33Å; D729-R777 IonicContact OD1-CZ 3.16Å; D729-R777 IonicContact OD1-NH1 3.17Å; D729-R777 PolarHBondContact OD1-NH1 2.65Å; D729-R777 VanDerWaalsContact OD1-NH1 3.17Å; D729-R777 IonicContact OD1-NH2 2.67Å; D729-R777 PolarHBondContact OD1-NH2 3.07Å; D729-R777 IonicContact OD2-CZ 3.14Å; D729-R777 IonicContact OD2-NE 3.48Å; D729-R777 PolarHBondContact OD2-NE 3.29Å; D729-R777 IonicContact OD2-NH1 3.67Å; D729-R777 IonicContact OD2-NH2 3Å; D729-R777 PolarHBondContact OD2-NH2 3.33Å; Y738-R777 PolarHBondContact OH-NE 3.44Å; Y774-R777 WeakPolarHBondContact O-CA 3.42Å; Y774-R777 WeakPolarHBondContact O-CB 3.31Å; Y774-R777 PolarHBondContact O-N 2.87Å; C775-R777 PolarHBondContact O-N 2.84Å; C775-R777 VanDerWaalsContact O-N 3.16Å
778F91.1Very high89.4Confident19 Ų1985.1 Ų85.18%0.08342%0.418CS..  trans-134.975.3179.3-58.6-68.8000107.3Y738 Y774 C775 E780 A781Y738-F778 HydrophobicContact CD1-CE2 4.27Å; Y738-F778 AromaticContact CD2-CE2 3.87Å; Y738-F778 HydrophobicContact CD2-CE2 3.87Å; Y738-F778 HydrophobicContact CD2-CZ 4.2Å; Y738-F778 HydrophobicContact CE2-CE2 4.5Å; Y738-F778 AromaticContact CG-CE2 3.74Å; Y738-F778 HydrophobicContact CG-CE2 3.74Å; Y738-F778 HydrophobicContact CG-CZ 4.5Å; Y774-F778 HydrophobicContact CD1-CB 4.17Å; Y774-F778 HydrophobicContact CD1-CD2 4.16Å; Y774-F778 HydrophobicContact CE1-CB 3.86Å; Y774-F778 AromaticContact CE1-CD2 3.79Å; Y774-F778 HydrophobicContact CE1-CD2 3.79Å; Y774-F778 HydrophobicContact CE1-CG 4.19Å; Y774-F778 PolarHBondContact O-N 2.84Å; C775-F778 CarbonylContact O-C 3.47Å; F778-E780 VanDerWaalsContact CA-OE2 3.23Å; F778-E780 WeakPolarHBondContact CA-OE2 3.45Å; F778-E780 WeakPolarHBondContact CB-OE1 3.15Å; F778-E780 WeakPolarHBondContact CD1-OE1 3.47Å; F778-E780 PolarHBondContact O-N 3.34Å; F778-A781 HydrophobicContact CB-CB 4.23Å; F778-A781 WeakPolarHBondContact O-CB 3.34Å; F778-A781 PolarHBondContact O-N 3.32Å
779P90.3Very high88.9Confident91 Ų9188.5 Ų88.559%0.59144%0.435SS*.G310 helixtrans-59.3-28.2-177.924.5-35.1000112.9C775 A781 H782C775-P779 VanDerWaalsContact O-CA 3.26Å; C775-P779 WeakPolarHBondContact O-CA 3.39Å; C775-P779 VanDerWaalsContact O-N 3.15Å; P779-A781 PolarHBondContact O-N 2.72Å; P779-H782 WeakPolarHBondContact O-CB 3.34Å; P779-H782 PolarHBondContact O-N 3.37Å
780E89.2Confident88.3Confident87 Ų8789.3 Ų89.341%0.40744%0.439SS..G310 helixtrans-56.6-29.5172.268.5-79.9-171.400113.1H725 F778 H782 S783 I784H725-E780 IonicContact CE1-OE1 3.13Å; H725-E780 IonicContact NE2-OE1 3.86Å; F778-E780 VanDerWaalsContact CA-OE2 3.23Å; F778-E780 WeakPolarHBondContact CA-OE2 3.45Å; F778-E780 WeakPolarHBondContact CB-OE1 3.15Å; F778-E780 WeakPolarHBondContact CD1-OE1 3.47Å; F778-E780 PolarHBondContact O-N 3.34Å; E780-H782 PolarHBondContact O-N 3.34Å; E780-S783 PolarHBondContact O-N 3.44Å; E780-S783 PolarHBondContact O-OG 3.09Å; E780-I784 WeakPolarHBondContact O-CG1 3.35Å
781A88.1Confident87.7Confident1 Ų186 Ų861%0.00843%0.432CS..G310 helixtrans-76.72-179.500000114.5H725 K740 Y774 F778 P779H725-A781 HydrophobicContact CB-CB 3.88Å; K740-A781 HydrophobicContact CD-CB 4.36Å; K740-A781 WeakPolarHBondContact CD-O 3.35Å; Y774-A781 HydrophobicContact CD1-CB 3.81Å; Y774-A781 HydrophobicContact CE1-CB 3.42Å; Y774-A781 VanDerWaalsContact CE1-CB 3.42Å; F778-A781 HydrophobicContact CB-CB 4.23Å; F778-A781 WeakPolarHBondContact O-CB 3.34Å; F778-A781 PolarHBondContact O-N 3.32Å; P779-A781 PolarHBondContact O-N 2.72Å
782H85Confident86.9Confident135 Ų13588.9 Ų88.963%0.62545%0.447SS*.G310 helixtrans-86.4-28.9173.5-164.374.3000113P779 E780P779-H782 WeakPolarHBondContact O-CB 3.34Å; P779-H782 PolarHBondContact O-N 3.37Å; E780-H782 PolarHBondContact O-N 3.34Å
783S85.4Confident85.9Confident96 Ų9684 Ų8467%0.67142%0.42SS*.THydrogen-bonded Turntrans-91.7-22.5-18055.60000113.7E780 K785E780-S783 PolarHBondContact O-N 3.44Å; E780-S783 PolarHBondContact O-OG 3.09Å; S783-K785 PolarHBondContact O-N 3.29Å
784I86.6Confident84.3Confident54 Ų5484.9 Ų84.928%0.27743%0.427SS..  trans-72.4116.7-177-58.6165.8000110.8L724 E780 Q786L724-I784 HydrophobicContact CB-CG2 4.41Å; L724-I784 VanDerWaalsContact O-CG2 3.32Å; L724-I784 WeakPolarHBondContact O-CG2 3.47Å; E780-I784 WeakPolarHBondContact O-CG1 3.35Å; I784-Q786 WeakPolarHBondContact CG2-O 3.34Å
785K83.6Confident83.9Confident183 Ų18389.2 Ų89.280%0.79645%0.448SS*.  trans-117.3-6.2173.7-63.4-175.1-179.4-178.80114S783S783-K785 PolarHBondContact O-N 3.29Å
786Q87.6Confident83.5Confident159 Ų15992.7 Ų92.774%0.74346%0.464SS*.SBendtrans-90142.2176.4-68.4176.6-11.300109.6L724 I784L724-Q786 WeakPolarHBondContact CD2-O 3.46Å; I784-Q786 WeakPolarHBondContact CG2-O 3.34Å
787P88.3Confident83.1Confident70 Ų7089.2 Ų89.246%0.45544%0.444SS..PPolyproline II helixtrans-74.5140.6173.731.4-33.7000111P722 I723P722-P787 HydrophobicContact CB-CB 4.01Å; I723-P787 CarbonylContact O-C 3.09Å; I723-P787 VanDerWaalsContact O-CA 3.28Å; I723-P787 WeakPolarHBondContact O-CA 3.42Å
788L88.2Confident82.8Confident46 Ų4689.1 Ų89.124%0.24145%0.45CS..PPolyproline II helixtrans-65.1138.8171.4-68173000110.9L714 I723 I726 F793L714-L788 HydrophobicContact CD2-CB 4.19Å; I723-L788 HydrophobicContact CG2-CD1 4.44Å; I723-L788 PolarHBondContact O-N 3.05Å; I726-L788 HydrophobicContact CB-CD1 4.38Å; I726-L788 HydrophobicContact CD1-CD1 4.3Å; I726-L788 HydrophobicContact CG1-CD1 3.98Å; L788-F793 HydrophobicContact CB-CE2 4.39Å; L788-F793 HydrophobicContact CD1-CE2 4.44Å; L788-F793 HydrophobicContact CD1-CZ 4.46Å; L788-F793 HydrophobicContact CD2-CE2 4.24Å; L788-F793 HydrophobicContact CD2-CZ 4.18Å
789Q83.9Confident82.3Confident116 Ų11693.4 Ų93.454%0.54247%0.473SS..PPolyproline II helixtrans-98.4169.4172.1-57.6-162.43.900110.3E791 D792 F793Q789-E791 WeakPolarHBondContact CB-OE2 3.37Å; Q789-D792 PolarHBondContact N-OD2 2.6Å; Q789-F793 WeakPolarHBondContact O-CD2 3.43Å
790I80Confident81.7Confident46 Ų4693.6 Ų93.624%0.23647%0.465CS..SBendtrans-81.7-34.7179.6-69.3168.5000109.9R711 L714 K715 D792 F793R711-I790 HydrophobicContact CG-CG2 4.44Å; L714-I790 HydrophobicContact CB-CG1 3.89Å; K715-I790 HydrophobicContact CG-CD1 4.34Å; I790-D792 PolarHBondContact O-N 2.98Å; I790-F793 PolarHBondContact O-N 3.15Å
791E78.3Confident81.2Confident130 Ų13094.1 Ų94.161%0.60747%0.469SS*.G310 helixtrans-53.8-35.6176.5-65.674.2-172.200111.9Q789 F793 E794Q789-E791 WeakPolarHBondContact CB-OE2 3.37Å; E791-F793 PolarHBondContact O-N 2.92Å; E791-E794 PolarHBondContact O-N 2.83Å
792D75Confident80.7Confident95 Ų95101.2 Ų101.251%0.50851%0.505SS..G310 helixtrans-59.4-16.4173.9-62.4-38.8000113.6Q789 I790Q789-D792 PolarHBondContact N-OD2 2.6Å; I790-D792 PolarHBondContact O-N 2.98Å
793F70.5Confident80.3Confident24 Ų2498.4 Ų98.411%0.10550%0.495CS..G310 helixtrans-123.513.1-170.6-60.6-73000114.8K710 R711 L714 L788 Q789 I790 E791K710-F793 HydrophobicContact CB-CD1 4.01Å; K710-F793 HydrophobicContact CB-CE1 4.3Å; K710-F793 HydrophobicContact CB-CG 4.22Å; K710-F793 HydrophobicContact CD-CD1 3.77Å; K710-F793 HydrophobicContact CD-CE1 3.31Å; K710-F793 HydrophobicContact CD-CZ 3.87Å; K710-F793 HydrophobicContact CG-CE1 4.43Å; R711-F793 HydrophobicContact CB-CB 4.45Å; R711-F793 PolarHBondContact NE-O 3.41Å; R711-F793 PolarHBondContact NH2-O 2.89Å; L714-F793 HydrophobicContact CD1-CD2 3.31Å; L714-F793 HydrophobicContact CD1-CE2 3.45Å; L714-F793 VanDerWaalsContact CD1-CE2 3.45Å; L714-F793 HydrophobicContact CD1-CG 4.32Å; L788-F793 HydrophobicContact CB-CE2 4.39Å; L788-F793 HydrophobicContact CD1-CE2 4.44Å; L788-F793 HydrophobicContact CD1-CZ 4.46Å; L788-F793 HydrophobicContact CD2-CE2 4.24Å; L788-F793 HydrophobicContact CD2-CZ 4.18Å; Q789-F793 WeakPolarHBondContact O-CD2 3.43Å; I790-F793 PolarHBondContact O-N 3.15Å; E791-F793 PolarHBondContact O-N 2.92Å
794E56.8Low79.9Confident162 Ų16298.6 Ų98.676%0.75748%0.479SS*.  trans-670170.5-57.4-137.4115.700113K707 R711 E791K707-E794 PolarHBondContact NZ-OXT 3.44Å; R711-E794 VanDerWaalsContact NH2-CA 3.34Å; R711-E794 PolarHBondContact NH2-O 3.38Å; E791-E794 PolarHBondContact O-N 2.83Å

Retrieved 794 of 794 residues in 886.4 ms (Link to these results)

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