A0A077ZLA5_TRITR Loading...

glutamate synthase (NADH)

AlphaFold DB , UniProt , Accession A0A077ZLA5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,043 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
1M39.8Very low53.9Low218 Ų21891.3 Ų91.3100%1.07441%0.405SS*.  0-41.80-77.4-163.7-162.700114.6L4M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.44Å
2R40.8Very low54.3Low138 Ų13889.8 Ų89.852%0.52142%0.422SS..Hα-helixtrans-67.8-33.8179.2-74.2-174.1-176.4167.38.5114.2L4 K5 Q21 S23R2-L4 PolarHBondContact O-N 3.16Å; R2-K5 PolarHBondContact O-N 3.25Å; R2-Q21 VanDerWaalsContact CZ-O 3.26Å; R2-Q21 PolarHBondContact NH1-O 2.88Å; R2-S23 VanDerWaalsContact NH1-N 3.13Å
3Y46.6Very low54.5Low41 Ų4186.7 Ų86.716%0.16143%0.429CS..Hα-helixtrans-58.4-35174.4-159.7-93.6000113.4K5 H6 H7 L38 T118 P139 I140 L141 R142Y3-K5 VanDerWaalsContact C-N 3.27Å; Y3-K5 PolarHBondContact O-N 2.84Å; Y3-H6 PolarHBondContact O-N 3.34Å; Y3-H7 AromaticContact CD1-CD2 3.67Å; Y3-H7 AromaticContact CE1-CD2 2.95Å; Y3-H7 WeakPolarHBondContact CE1-CD2 3.29Å; Y3-H7 AromaticContact CE1-NE2 3.2Å; Y3-H7 WeakPolarHBondContact CE1-NE2 3.36Å; Y3-H7 AromaticContact CZ-CD2 3.39Å; Y3-H7 AromaticContact CZ-NE2 3.31Å; Y3-H7 VanDerWaalsContact CZ-NE2 3.31Å; Y3-H7 PolarHBondContact O-N 3.22Å; Y3-H7 PolarHBondContact OH-NE2 3.33Å; Y3-L38 HydrophobicContact CD2-CD2 4.39Å; Y3-L38 HydrophobicContact CE2-CD2 4.08Å; Y3-T118 HydrophobicContact CE2-CG2 4.49Å; Y3-P139 WeakPolarHBondContact CD1-O 3.11Å; Y3-P139 WeakPolarHBondContact CE1-O 3.38Å; Y3-I140 HydrophobicContact CD2-CB 4.12Å; Y3-I140 HydrophobicContact CD2-CG2 4.4Å; Y3-I140 VanDerWaalsContact CE2-CA 3.47Å; Y3-I140 HydrophobicContact CE2-CB 4.07Å; Y3-I140 WeakPolarHBondContact CE2-O 3.23Å; Y3-I140 HydrophobicContact CG-CB 4.48Å; Y3-I140 HydrophobicContact CG-CG2 4.34Å; Y3-I140 PolarHBondContact OH-O 2.82Å; Y3-L141 PolarHBondContact OH-N 3.39Å; Y3-R142 PolarHBondContact OH-N 3.12Å; Y3-R142 VanDerWaalsContact OH-N 3.1Å; Y3-R142 PolarHBondContact OH-O 3.22Å; Y3-R142 VanDerWaalsContact OH-O 3.06Å
4L50.7Low54.2Low109 Ų10985.1 Ų85.157%0.57143%0.431SS*.Hα-helixtrans-62-35173.7-107.288.9000111.2M1 R2 L8M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.44Å; R2-L4 PolarHBondContact O-N 3.16Å; L4-L8 HydrophobicContact CB-CD1 4.02Å; L4-L8 HydrophobicContact CB-CG 4.38Å; L4-L8 HydrophobicContact CD2-CD1 3.84Å; L4-L8 HydrophobicContact CD2-CG 4.41Å; L4-L8 HydrophobicContact CG-CD1 4.23Å; L4-L8 HydrophobicContact CG-CG 4.44Å; L4-L8 WeakPolarHBondContact O-CA 3.39Å; L4-L8 WeakPolarHBondContact O-CB 3.07Å; L4-L8 WeakPolarHBondContact O-CD1 3.15Å; L4-L8 WeakPolarHBondContact O-CG 3.28Å; L4-L8 PolarHBondContact O-N 3.23Å
5K54.7Low53.9Low123 Ų12390.7 Ų90.754%0.53545%0.451SS..Hα-helixtrans-68.2-41.6-178.6-95.8-173177.4-176.20112.4R2 Y3 R9 L20R2-K5 PolarHBondContact O-N 3.25Å; Y3-K5 VanDerWaalsContact C-N 3.27Å; Y3-K5 PolarHBondContact O-N 2.84Å; K5-R9 WeakPolarHBondContact O-CA 3.06Å; K5-R9 WeakPolarHBondContact O-CB 3.25Å; K5-R9 VanDerWaalsContact O-CD 3.24Å; K5-R9 WeakPolarHBondContact O-CD 3.28Å; K5-R9 WeakPolarHBondContact O-CG 3.34Å; K5-R9 PolarHBondContact O-N 3.21Å; K5-L20 HydrophobicContact CB-CD2 4.38Å; K5-L20 HydrophobicContact CD-CD2 4.5Å
6H58.7Low53.6Low18 Ų1887.1 Ų87.18%0.08343%0.434CS..Hα-helixtrans-66.5-46.6179.5-168.86000111.7Y3 R9 A10 L20 G116Y3-H6 PolarHBondContact O-N 3.34Å; H6-R9 PolarHBondContact O-N 2.78Å; H6-A10 PolarHBondContact O-N 2.86Å; H6-A10 VanDerWaalsContact O-N 3.13Å; H6-L20 HydrophobicContact CB-CD1 4.35Å; H6-G116 WeakPolarHBondContact NE2-CA 3.35Å
7H61.6Low53.8Low30 Ų3086.9 Ų86.914%0.13943%0.434CS..Hα-helixtrans-63.9-45.1174.8-91-84.3000112.9Y3 R9 A10 R11 R142 V144Y3-H7 AromaticContact CD1-CD2 3.67Å; Y3-H7 AromaticContact CE1-CD2 2.95Å; Y3-H7 WeakPolarHBondContact CE1-CD2 3.29Å; Y3-H7 AromaticContact CE1-NE2 3.2Å; Y3-H7 WeakPolarHBondContact CE1-NE2 3.36Å; Y3-H7 AromaticContact CZ-CD2 3.39Å; Y3-H7 AromaticContact CZ-NE2 3.31Å; Y3-H7 VanDerWaalsContact CZ-NE2 3.31Å; Y3-H7 PolarHBondContact O-N 3.22Å; Y3-H7 PolarHBondContact OH-NE2 3.33Å; H7-R9 VanDerWaalsContact C-N 3.34Å; H7-R9 PolarHBondContact O-N 2.95Å; H7-A10 PolarHBondContact O-N 3.48Å; H7-R11 VanDerWaalsContact O-CB 3.27Å; H7-R11 WeakPolarHBondContact O-CB 3.12Å; H7-R11 PolarHBondContact O-N 2.67Å; H7-R142 PolarHBondContact CE1-O 2.9Å; H7-R142 VanDerWaalsContact CE1-O 3.24Å; H7-R142 PolarHBondContact NE2-O 3.37Å; H7-V144 WeakPolarHBondContact CE1-CG2 3.39Å; H7-V144 WeakPolarHBondContact NE2-CG2 3.48Å
8L59.7Low54.3Low82 Ų8285.9 Ų85.943%0.42944%0.436SS..Hα-helixtrans-68-32.6177.5-71.3175.2000112.1L4 R11 A12L4-L8 HydrophobicContact CB-CD1 4.02Å; L4-L8 HydrophobicContact CB-CG 4.38Å; L4-L8 HydrophobicContact CD2-CD1 3.84Å; L4-L8 HydrophobicContact CD2-CG 4.41Å; L4-L8 HydrophobicContact CG-CD1 4.23Å; L4-L8 HydrophobicContact CG-CG 4.44Å; L4-L8 WeakPolarHBondContact O-CA 3.39Å; L4-L8 WeakPolarHBondContact O-CB 3.07Å; L4-L8 WeakPolarHBondContact O-CD1 3.15Å; L4-L8 WeakPolarHBondContact O-CG 3.28Å; L4-L8 PolarHBondContact O-N 3.23Å; L8-R11 PolarHBondContact O-N 3.41Å; L8-A12 WeakPolarHBondContact O-CB 3.21Å; L8-A12 PolarHBondContact O-N 3.44Å
9R61.3Low55.6Low60 Ų6083.8 Ų83.823%0.22643%0.43CS..Hα-helixtrans-66.2-44.6177.3-81166.3177.8-153.33.4110.7K5 H6 H7 A12 S14 S18 S19 L20K5-R9 WeakPolarHBondContact O-CA 3.06Å; K5-R9 WeakPolarHBondContact O-CB 3.25Å; K5-R9 VanDerWaalsContact O-CD 3.24Å; K5-R9 WeakPolarHBondContact O-CD 3.28Å; K5-R9 WeakPolarHBondContact O-CG 3.34Å; K5-R9 PolarHBondContact O-N 3.21Å; H6-R9 PolarHBondContact O-N 2.78Å; H7-R9 VanDerWaalsContact C-N 3.34Å; H7-R9 PolarHBondContact O-N 2.95Å; R9-A12 PolarHBondContact O-N 2.88Å; R9-S14 PolarHBondContact O-N 2.97Å; R9-S18 PolarHBondContact NH1-O 3.45Å; R9-S18 PolarHBondContact NH2-OG 2.59Å; R9-S19 PolarHBondContact NH2-O 3.47Å; R9-L20 VanDerWaalsContact NH2-CD2 3.27Å
10A59.4Low56.9Low4 Ų481.1 Ų81.13%0.03342%0.416CS..Hα-helixtrans-64.6-44.817300000111.4H6 H7 A12 G13 V144 Y148 V151H6-A10 PolarHBondContact O-N 2.86Å; H6-A10 VanDerWaalsContact O-N 3.13Å; H7-A10 PolarHBondContact O-N 3.48Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-A12 PolarHBondContact O-N 2.98Å; A10-G13 PolarHBondContact O-N 2.94Å; A10-G13 VanDerWaalsContact O-N 3.17Å; A10-V144 HydrophobicContact CB-CG1 3.16Å; A10-Y148 HydrophobicContact CB-CD2 3.69Å; A10-Y148 HydrophobicContact CB-CE2 4.24Å; A10-Y148 HydrophobicContact CB-CG 4.19Å; A10-V151 HydrophobicContact CB-CG1 4.34Å
11R59.6Low58.4Low181 Ų18182 Ų8268%0.68342%0.419SS*.Hα-helixtrans-62-36.7177.3-174.8173.8-179.5-176.10.9113.8H7 L8 G13 Y148H7-R11 VanDerWaalsContact O-CB 3.27Å; H7-R11 WeakPolarHBondContact O-CB 3.12Å; H7-R11 PolarHBondContact O-N 2.67Å; L8-R11 PolarHBondContact O-N 3.41Å; R11-G13 PolarHBondContact O-N 2.91Å; R11-G13 VanDerWaalsContact O-N 3.17Å; R11-Y148 HydrophobicContact CB-CE1 4.47Å; R11-Y148 HydrophobicContact CB-CE2 4.32Å; R11-Y148 WeakPolarHBondContact CB-OH 3.42Å; R11-Y148 WeakPolarHBondContact CG-OH 3.45Å
12A59.4Low60.8Low73 Ų7374.3 Ų74.360%0.60338%0.38SS*.THydrogen-bonded Turntrans-72.3-3.2-178.800000112.7L8 R9 A10 S14L8-A12 WeakPolarHBondContact O-CB 3.21Å; L8-A12 PolarHBondContact O-N 3.44Å; R9-A12 PolarHBondContact O-N 2.88Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-A12 PolarHBondContact O-N 2.98Å; A12-S14 PolarHBondContact O-N 2.82Å
13G55.8Low63.1Low50 Ų5070.2 Ų70.252%0.51537%0.373SS..THydrogen-bonded Turntrans55.218.1-170.700000111.8A10 R11 K15A10-G13 PolarHBondContact O-N 2.94Å; A10-G13 VanDerWaalsContact O-N 3.17Å; R11-G13 PolarHBondContact O-N 2.91Å; R11-G13 VanDerWaalsContact O-N 3.17Å; G13-K15 PolarHBondContact O-N 2.63Å
14S51.1Low65Low65 Ų6570.7 Ų70.746%0.45539%0.391SS..  trans-81.584.4-169.8-158.10000105.6R9 A12 L16R9-S14 PolarHBondContact O-N 2.97Å; A12-S14 PolarHBondContact O-N 2.82Å; S14-L16 PolarHBondContact O-N 3.3Å
15K49.1Very low66.5Low168 Ų16869.6 Ų69.673%0.7340%0.397SS*.  trans-48.296.2164.7-71.1178.9179.1179.40106.5G13 I158G13-K15 PolarHBondContact O-N 2.63Å; K15-I158 HydrophobicContact CB-CD1 4.03Å
16L49.8Very low68.3Low34 Ų3464 Ų6418%0.17837%0.373CS..  trans58.999.2146.3-76.7144.2000117.7S14 V157 I158S14-L16 PolarHBondContact O-N 3.3Å; L16-V157 HydrophobicContact CD1-CB 3.55Å; L16-V157 HydrophobicContact CD1-CG1 4.04Å; L16-V157 HydrophobicContact CD2-CB 3.64Å; L16-V157 HydrophobicContact CD2-CG2 4.26Å; L16-V157 HydrophobicContact CG-CB 4.14Å; L16-I158 HydrophobicContact CB-CB 3.45Å; L16-I158 VanDerWaalsContact CB-CB 3.45Å; L16-I158 HydrophobicContact CB-CD1 4.17Å; L16-I158 HydrophobicContact CB-CG1 4.16Å; L16-I158 HydrophobicContact CB-CG2 4.35Å; L16-I158 HydrophobicContact CD1-CB 3.67Å; L16-I158 HydrophobicContact CD1-CD1 3.37Å; L16-I158 HydrophobicContact CD1-CG1 3.42Å; L16-I158 VanDerWaalsContact CD1-CG1 3.42Å; L16-I158 VanDerWaalsContact CD2-N 3.29Å; L16-I158 HydrophobicContact CG-CB 4.04Å; L16-I158 HydrophobicContact CG-CD1 4.38Å; L16-I158 HydrophobicContact CG-CG1 4.34Å
17L56.6Low69.8Low84 Ų8467 Ų6744%0.4439%0.392SS..  trans-142.8-10.1168.3-62.7170.4000115.5Q160L17-Q160 HydrophobicContact CD2-CB 3.47Å; L17-Q160 VanDerWaalsContact CD2-CB 3.47Å; L17-Q160 HydrophobicContact CD2-CG 3.58Å
18S63.7Low71.3Confident68 Ų6867.3 Ų67.348%0.47640%0.398SS..  trans-156.5144.6-178.345.20000115.7R9R9-S18 PolarHBondContact NH1-O 3.45Å; R9-S18 PolarHBondContact NH2-OG 2.59Å
19S77.7Confident73Confident46 Ų4663.4 Ų63.432%0.32238%0.377SS..  trans-66.1163.7168.4550000112.3R9 D41 E42R9-S19 PolarHBondContact NH2-O 3.47Å; S19-D41 VanDerWaalsContact CA-OD2 3.26Å; S19-D41 WeakPolarHBondContact CA-OD2 3.31Å; S19-D41 WeakPolarHBondContact CB-OD1 3.43Å; S19-D41 WeakPolarHBondContact CB-OD2 3.37Å; S19-E42 WeakPolarHBondContact CB-OE1 3.34Å; S19-E42 PolarHBondContact OG-OE1 2.97Å
20L82.2Confident74.6Confident29 Ų2964.8 Ų64.815%0.15239%0.389CS..  trans-121.498.7175.3-74.2174000111.3K5 H6 R9 G39 A40 D41 E42K5-L20 HydrophobicContact CB-CD2 4.38Å; K5-L20 HydrophobicContact CD-CD2 4.5Å; H6-L20 HydrophobicContact CB-CD1 4.35Å; R9-L20 VanDerWaalsContact NH2-CD2 3.27Å; L20-G39 VanDerWaalsContact CD1-O 3.26Å; L20-G39 WeakPolarHBondContact CD1-O 3.46Å; L20-A40 CarbonylContact O-C 3.54Å; L20-A40 VanDerWaalsContact O-CA 3.25Å; L20-A40 WeakPolarHBondContact O-CA 3.42Å; L20-A40 WeakPolarHBondContact O-CB 3.27Å; L20-D41 WeakPolarHBondContact CA-OD1 3.32Å; L20-D41 VanDerWaalsContact N-CG 3.31Å; L20-D41 PolarHBondContact N-OD1 3.04Å; L20-D41 PolarHBondContact N-OD2 3.19Å; L20-D41 VanDerWaalsContact N-OD2 3.13Å; L20-D41 PolarHBondContact O-N 2.95Å; L20-E42 PolarHBondContact O-N 2.85Å
21Q88.9Confident76.3Confident102 Ų10267 Ų6748%0.47740%0.4SS..EExtended strand (participates in β ladder)trans-79.7125.2173.3-163.2177.914.800112.6R2 E42R2-Q21 VanDerWaalsContact CZ-O 3.26Å; R2-Q21 PolarHBondContact NH1-O 2.88Å; Q21-E42 CarbonylContact C-O 3.01Å; Q21-E42 WeakPolarHBondContact CA-O 3.34Å; Q21-E42 HydrophobicContact CB-CB 3.99Å; Q21-E42 HydrophobicContact CG-CB 3.85Å
22H89.2Confident78Confident55 Ų5559 Ų5926%0.25537%0.371SS..EExtended strand (participates in β ladder)trans-91.3137.3165.1178.756000110.6V26 A40 E42 F43 G44H22-V26 VanDerWaalsContact CD2-CG2 3.46Å; H22-V26 WeakPolarHBondContact CD2-CG2 3.44Å; H22-V26 WeakPolarHBondContact NE2-CG2 3.44Å; H22-A40 HydrophobicContact CB-CB 3.51Å; H22-E42 PolarHBondContact N-O 3.14Å; H22-F43 HydrophobicContact CB-CD1 4.1Å; H22-F43 HydrophobicContact CB-CE1 4.32Å; H22-F43 CarbonylContact O-C 3.58Å; H22-F43 WeakPolarHBondContact O-CA 3.43Å; H22-G44 PolarHBondContact O-N 2.82Å
23S90.3Very high79.7Confident52 Ų5255.6 Ų55.636%0.36434%0.342SS..EExtended strand (participates in β ladder)trans-155.4160.9177.160.90000110.2R2 G44R2-S23 VanDerWaalsContact NH1-N 3.13Å; S23-G44 WeakPolarHBondContact CA-O 3.4Å; S23-G44 VanDerWaalsContact CB-O 3.27Å; S23-G44 WeakPolarHBondContact CB-O 3.42Å
24G85.5Confident81.6Confident52 Ų5256.2 Ų56.254%0.53633%0.333SS..SBendtrans107.1106.3179.400000112.6V26G24-V26 PolarHBondContact O-N 3.14Å; G24-V26 VanDerWaalsContact O-N 3.14Å
25A83.2Confident83.6Confident85 Ų8553.3 Ų53.370%0.70231%0.314SS*.SBendtrans5524.2-179.500000115.9V27A25-V27 PolarHBondContact O-N 3.41Å
26V91.3Very high85.7Confident5 Ų545.3 Ų45.33%0.0328%0.279CS..  trans-68.4111.2167.9-177.20000108.1H22 G24 D31 I32 M45H22-V26 VanDerWaalsContact CD2-CG2 3.46Å; H22-V26 WeakPolarHBondContact CD2-CG2 3.44Å; H22-V26 WeakPolarHBondContact NE2-CG2 3.44Å; G24-V26 PolarHBondContact O-N 3.14Å; G24-V26 VanDerWaalsContact O-N 3.14Å; V26-D31 HydrophobicContact CB-CB 4.48Å; V26-D31 HydrophobicContact CG1-CB 4.05Å; V26-I32 HydrophobicContact CG1-CD1 4.49Å; V26-I32 HydrophobicContact CG1-CG1 3.68Å; V26-M45 HydrophobicContact CB-CG 4.19Å; V26-M45 HydrophobicContact CG1-CE 4.21Å; V26-M45 HydrophobicContact CG1-CG 4.14Å
27V90.8Very high87.8Confident82 Ų8243.9 Ų43.950%0.49727%0.272SS..  trans-130.8-20.5-176.3-60.80000113.4A25 D31 A48 Y91A25-V27 PolarHBondContact O-N 3.41Å; V27-D31 WeakPolarHBondContact CG2-OD2 3.48Å; V27-D31 PolarHBondContact N-OD2 2.83Å; V27-A48 HydrophobicContact CG1-CB 4.16Å; V27-Y91 PolarHBondContact O-OH 2.89Å; V27-Y91 VanDerWaalsContact O-OH 3.07Å
28S93.2Very high89.4Confident36 Ų3642.4 Ų42.425%0.25226%0.264SS..SBendtrans-127.3163.2-175.368.60000112.8L30 D31 I32S28-L30 PolarHBondContact O-N 2.97Å; S28-D31 PolarHBondContact N-OD2 3.43Å; S28-D31 WeakPolarHBondContact O-CB 3.47Å; S28-D31 PolarHBondContact O-N 3.18Å; S28-D31 PolarHBondContact OG-N 3.06Å; S28-D31 PolarHBondContact OG-OD2 3.18Å; S28-I32 PolarHBondContact O-N 3.22Å
29G94.3Very high90.5Very high0 Ų039.3 Ų39.30%024%0.243CC..Hα-helixtrans-65.1-29.9177.600000111.7D31 I32 V33 L95 D98G29-D31 PolarHBondContact O-N 3.14Å; G29-I32 PolarHBondContact O-N 2.59Å; G29-V33 WeakPolarHBondContact O-CG2 3.46Å; G29-V33 PolarHBondContact O-N 3.01Å; G29-L95 VanDerWaalsContact N-CD1 3.29Å; G29-D98 VanDerWaalsContact CA-OD2 3.31Å; G29-D98 WeakPolarHBondContact CA-OD2 3.47Å; G29-D98 PolarHBondContact N-OD2 3.24Å
30L95.2Very high91Very high90 Ų9037.6 Ų37.647%0.47123%0.232SC..Hα-helixtrans-61.4-41.5173.5-176.364.7000112.3S28 I32 V33 I34 I102S28-L30 PolarHBondContact O-N 2.97Å; L30-I32 VanDerWaalsContact C-N 3.29Å; L30-I32 PolarHBondContact O-N 2.84Å; L30-V33 PolarHBondContact O-N 3.11Å; L30-I34 HydrophobicContact CD1-CD1 3.95Å; L30-I34 HydrophobicContact CD1-CG1 4.15Å; L30-I34 HydrophobicContact CD2-CD1 4.41Å; L30-I34 HydrophobicContact CG-CD1 3.82Å; L30-I34 HydrophobicContact CG-CG1 4.37Å; L30-I34 WeakPolarHBondContact O-CB 3.38Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.06Å; L30-I34 PolarHBondContact O-N 3.16Å; L30-I102 HydrophobicContact CB-CD1 4Å; L30-I102 HydrophobicContact CD1-CD1 4.41Å; L30-I102 VanDerWaalsContact N-CD1 3.32Å
31D95.2Very high91.3Very high50 Ų5038 Ų3827%0.26723%0.234SC..Hα-helixtrans-62.2-40.4178.3-57.9-46.2000111V26 V27 S28 G29 G35V26-D31 HydrophobicContact CB-CB 4.48Å; V26-D31 HydrophobicContact CG1-CB 4.05Å; V27-D31 WeakPolarHBondContact CG2-OD2 3.48Å; V27-D31 PolarHBondContact N-OD2 2.83Å; S28-D31 PolarHBondContact N-OD2 3.43Å; S28-D31 WeakPolarHBondContact O-CB 3.47Å; S28-D31 PolarHBondContact O-N 3.18Å; S28-D31 PolarHBondContact OG-N 3.06Å; S28-D31 PolarHBondContact OG-OD2 3.18Å; G29-D31 PolarHBondContact O-N 3.14Å; D31-G35 PolarHBondContact O-N 2.85Å
32I95.6Very high91.4Very high12 Ų1237.3 Ų37.36%0.06223%0.231CC..Hα-helixtrans-64.6-51.4176.3-66.2175000110.4V26 S28 G29 L30 I34 G35 A36 F43 M45 L95 V99 L111V26-I32 HydrophobicContact CG1-CD1 4.49Å; V26-I32 HydrophobicContact CG1-CG1 3.68Å; S28-I32 PolarHBondContact O-N 3.22Å; G29-I32 PolarHBondContact O-N 2.59Å; L30-I32 VanDerWaalsContact C-N 3.29Å; L30-I32 PolarHBondContact O-N 2.84Å; I32-I34 PolarHBondContact O-N 3.49Å; I32-G35 CarbonylContact O-C 3.56Å; I32-G35 PolarHBondContact O-N 3.2Å; I32-G35 VanDerWaalsContact O-N 3.15Å; I32-A36 PolarHBondContact O-N 2.75Å; I32-F43 HydrophobicContact CB-CD1 4.17Å; I32-F43 HydrophobicContact CB-CE1 4.34Å; I32-F43 HydrophobicContact CB-CG 4.48Å; I32-F43 HydrophobicContact CG1-CB 4.44Å; I32-F43 HydrophobicContact CG1-CD1 4.17Å; I32-F43 HydrophobicContact CG1-CG 4.23Å; I32-F43 HydrophobicContact CG2-CD1 3.89Å; I32-F43 HydrophobicContact CG2-CD2 3.9Å; I32-F43 HydrophobicContact CG2-CE1 3.84Å; I32-F43 HydrophobicContact CG2-CE2 3.89Å; I32-F43 HydrophobicContact CG2-CG 3.93Å; I32-F43 HydrophobicContact CG2-CZ 3.86Å; I32-F43 WeakPolarHBondContact O-CE1 3.27Å; I32-M45 HydrophobicContact CD1-CE 3.69Å; I32-M45 HydrophobicContact CG1-CE 4.3Å; I32-L95 HydrophobicContact CD1-CD1 4Å; I32-L95 HydrophobicContact CD1-CD2 3.71Å; I32-L95 HydrophobicContact CD1-CG 3.67Å; I32-V99 HydrophobicContact CB-CG2 3.86Å; I32-V99 HydrophobicContact CD1-CG2 3.86Å; I32-V99 HydrophobicContact CG1-CG2 4.44Å; I32-V99 HydrophobicContact CG2-CG2 3.84Å; I32-L111 HydrophobicContact CG2-CD1 4.34Å; I32-L111 HydrophobicContact CG2-CD2 4.21Å
33V95.9Very high91.6Very high2 Ų236.6 Ų36.61%0.01223%0.227CC..Hα-helixtrans-63.4-42.6-177.7174.80000110.9G29 L30 G35 A36 L37 V99 I102 L103 L106G29-V33 WeakPolarHBondContact O-CG2 3.46Å; G29-V33 PolarHBondContact O-N 3.01Å; L30-V33 PolarHBondContact O-N 3.11Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 2.88Å; V33-A36 WeakPolarHBondContact O-CB 3.38Å; V33-A36 PolarHBondContact O-N 2.81Å; V33-L37 HydrophobicContact CG1-CD1 3.95Å; V33-L37 HydrophobicContact CG1-CG 4.21Å; V33-L37 VanDerWaalsContact O-CG 3.25Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 2.92Å; V33-V99 HydrophobicContact CG2-CB 4.49Å; V33-V99 HydrophobicContact CG2-CG1 3.96Å; V33-V99 HydrophobicContact CG2-CG2 4.46Å; V33-I102 HydrophobicContact CB-CG2 4.05Å; V33-I102 HydrophobicContact CG1-CG2 3.84Å; V33-I102 HydrophobicContact CG2-CB 4.09Å; V33-I102 HydrophobicContact CG2-CG2 3.87Å; V33-L103 HydrophobicContact CG2-CD2 4.35Å; V33-L103 HydrophobicContact CG2-CG 4.45Å; V33-L106 HydrophobicContact CG1-CD1 3.85Å
34I94.7Very high91.8Very high63 Ų6334.8 Ų34.832%0.32322%0.217SC..Hα-helixtrans-60.7-44.3174.2-69.2173.6000110.7L30 I32 A36 L37 L38 L121L30-I34 HydrophobicContact CD1-CD1 3.95Å; L30-I34 HydrophobicContact CD1-CG1 4.15Å; L30-I34 HydrophobicContact CD2-CD1 4.41Å; L30-I34 HydrophobicContact CG-CD1 3.82Å; L30-I34 HydrophobicContact CG-CG1 4.37Å; L30-I34 WeakPolarHBondContact O-CB 3.38Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.06Å; L30-I34 PolarHBondContact O-N 3.16Å; I32-I34 PolarHBondContact O-N 3.49Å; I34-A36 VanDerWaalsContact C-N 3.29Å; I34-A36 PolarHBondContact O-N 2.82Å; I34-L37 PolarHBondContact O-N 2.79Å; I34-L38 HydrophobicContact CG2-CD1 3.95Å; I34-L38 HydrophobicContact CG2-CG 4.47Å; I34-L38 VanDerWaalsContact O-CG 3.3Å; I34-L38 WeakPolarHBondContact O-CG 3.13Å; I34-L38 PolarHBondContact O-N 2.87Å; I34-L121 HydrophobicContact CG1-CD2 4.29Å
35G93.5Very high92.1Very high5 Ų534.6 Ų34.65%0.05220%0.202CC..Hα-helixtrans-57.6-41.8174.900000112.4D31 I32 V33 L38 G39 A40D31-G35 PolarHBondContact O-N 2.85Å; I32-G35 CarbonylContact O-C 3.56Å; I32-G35 PolarHBondContact O-N 3.2Å; I32-G35 VanDerWaalsContact O-N 3.15Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 2.88Å; G35-L38 PolarHBondContact O-N 2.86Å; G35-G39 PolarHBondContact O-N 3.09Å; G35-A40 VanDerWaalsContact O-CB 3.25Å; G35-A40 WeakPolarHBondContact O-CB 3.45Å; G35-A40 PolarHBondContact O-N 3.14Å
36A93Very high92.4Very high0 Ų034.3 Ų34.30%020%0.196CC..Hα-helixtrans-63-51.6176.100000111.9I32 V33 I34 L38 G39 A40 F43 L111 A114 V115 G116I32-A36 PolarHBondContact O-N 2.75Å; V33-A36 WeakPolarHBondContact O-CB 3.38Å; V33-A36 PolarHBondContact O-N 2.81Å; I34-A36 VanDerWaalsContact C-N 3.29Å; I34-A36 PolarHBondContact O-N 2.82Å; A36-L38 PolarHBondContact O-N 2.89Å; A36-L38 VanDerWaalsContact O-N 3.14Å; A36-G39 WeakPolarHBondContact O-CA 3.42Å; A36-G39 PolarHBondContact O-N 3.18Å; A36-A40 WeakPolarHBondContact CA-O 3.22Å; A36-F43 HydrophobicContact CB-CZ 3.87Å; A36-L111 HydrophobicContact CB-CD1 3.71Å; A36-L111 HydrophobicContact CB-CG 4.26Å; A36-A114 HydrophobicContact CB-CB 4.13Å; A36-V115 CarbonylContact O-C 3.57Å; A36-V115 VanDerWaalsContact O-CA 3.26Å; A36-V115 WeakPolarHBondContact O-CA 3.48Å; A36-G116 PolarHBondContact O-N 2.89Å
37L93Very high92.4Very high4 Ų437 Ų372%0.02121%0.212CC..Hα-helixtrans-57.6-31.2178.4-64.2172.9000112.1V33 I34 G39 L106 A114 G116 R117 T118 L120 L121V33-L37 HydrophobicContact CG1-CD1 3.95Å; V33-L37 HydrophobicContact CG1-CG 4.21Å; V33-L37 VanDerWaalsContact O-CG 3.25Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 2.92Å; I34-L37 PolarHBondContact O-N 2.79Å; L37-G39 VanDerWaalsContact C-N 3.32Å; L37-L106 HydrophobicContact CD1-CD1 4.33Å; L37-A114 WeakPolarHBondContact CA-O 3.35Å; L37-A114 HydrophobicContact CD2-CB 3.97Å; L37-A114 WeakPolarHBondContact CD2-O 3.34Å; L37-G116 CarbonylContact O-C 3.51Å; L37-G116 WeakPolarHBondContact O-CA 3.35Å; L37-R117 HydrophobicContact CD2-CB 3.79Å; L37-R117 WeakPolarHBondContact CD2-O 3.41Å; L37-R117 CarbonylContact O-C 3.4Å; L37-R117 PolarHBondContact O-N 3.29Å; L37-T118 WeakPolarHBondContact O-CG2 3.46Å; L37-T118 PolarHBondContact O-N 2.98Å; L37-L120 HydrophobicContact CD1-CB 4.28Å; L37-L120 HydrophobicContact CD2-CB 3.99Å; L37-L120 HydrophobicContact CD2-CD1 3.8Å; L37-L120 HydrophobicContact CD2-CG 4.38Å; L37-L121 HydrophobicContact CB-CD1 3.75Å; L37-L121 HydrophobicContact CB-CG 3.97Å; L37-L121 HydrophobicContact CD1-CD1 4.39Å; L37-L121 HydrophobicContact CD1-CD2 3.62Å; L37-L121 HydrophobicContact CD1-CG 3.79Å
38L90.5Very high92.5Very high52 Ų5233.7 Ų33.727%0.27219%0.193SC..THydrogen-bonded Turntrans-81.2-2.9174.2-65.9174.2000114.7Y3 I34 G35 A36 T118 L121 I140Y3-L38 HydrophobicContact CD2-CD2 4.39Å; Y3-L38 HydrophobicContact CE2-CD2 4.08Å; I34-L38 HydrophobicContact CG2-CD1 3.95Å; I34-L38 HydrophobicContact CG2-CG 4.47Å; I34-L38 VanDerWaalsContact O-CG 3.3Å; I34-L38 WeakPolarHBondContact O-CG 3.13Å; I34-L38 PolarHBondContact O-N 2.87Å; G35-L38 PolarHBondContact O-N 2.86Å; A36-L38 PolarHBondContact O-N 2.89Å; A36-L38 VanDerWaalsContact O-N 3.14Å; L38-T118 HydrophobicContact CD2-CG2 4.29Å; L38-L121 HydrophobicContact CD2-CD1 3.85Å; L38-L121 HydrophobicContact CG-CD1 4.01Å; L38-I140 WeakPolarHBondContact CD2-O 3.31Å
39G86.8Confident92.5Very high4 Ų432.9 Ų32.94%0.04119%0.187CC..THydrogen-bonded Turntrans1126172.200000116.3L20 G35 A36 L37L20-G39 VanDerWaalsContact CD1-O 3.26Å; L20-G39 WeakPolarHBondContact CD1-O 3.46Å; G35-G39 PolarHBondContact O-N 3.09Å; A36-G39 WeakPolarHBondContact O-CA 3.42Å; A36-G39 PolarHBondContact O-N 3.18Å; L37-G39 VanDerWaalsContact C-N 3.32Å
40A89.2Confident92.4Very high10 Ų1036.4 Ų36.48%0.08321%0.206CC..  trans-80144.9175.400000111.9L20 H22 G35 A36 F43L20-A40 CarbonylContact O-C 3.54Å; L20-A40 VanDerWaalsContact O-CA 3.25Å; L20-A40 WeakPolarHBondContact O-CA 3.42Å; L20-A40 WeakPolarHBondContact O-CB 3.27Å; H22-A40 HydrophobicContact CB-CB 3.51Å; G35-A40 VanDerWaalsContact O-CB 3.25Å; G35-A40 WeakPolarHBondContact O-CB 3.45Å; G35-A40 PolarHBondContact O-N 3.14Å; A36-A40 WeakPolarHBondContact CA-O 3.22Å; A40-F43 HydrophobicContact CB-CE1 4.07Å; A40-F43 HydrophobicContact CB-CZ 4.23Å
41D88.2Confident92.3Very high38 Ų3836 Ų3620%0.20320%0.203CC..SBendtrans-118-17.6177.652.316.5000112.4S19 L20 A155S19-D41 VanDerWaalsContact CA-OD2 3.26Å; S19-D41 WeakPolarHBondContact CA-OD2 3.31Å; S19-D41 WeakPolarHBondContact CB-OD1 3.43Å; S19-D41 WeakPolarHBondContact CB-OD2 3.37Å; L20-D41 WeakPolarHBondContact CA-OD1 3.32Å; L20-D41 VanDerWaalsContact N-CG 3.31Å; L20-D41 PolarHBondContact N-OD1 3.04Å; L20-D41 PolarHBondContact N-OD2 3.19Å; L20-D41 VanDerWaalsContact N-OD2 3.13Å; L20-D41 PolarHBondContact O-N 2.95Å; D41-A155 HydrophobicContact CB-CB 3.6Å; D41-A155 WeakPolarHBondContact OD2-CB 3.38Å
42E91.5Very high92.1Very high86 Ų8635.1 Ų35.140%0.40220%0.202SC..EExtended strand (participates in β ladder)trans-124.5149.9175.1-69.1175.8-155.100111.2S19 L20 Q21 H22S19-E42 WeakPolarHBondContact CB-OE1 3.34Å; S19-E42 PolarHBondContact OG-OE1 2.97Å; L20-E42 PolarHBondContact O-N 2.85Å; Q21-E42 CarbonylContact C-O 3.01Å; Q21-E42 WeakPolarHBondContact CA-O 3.34Å; Q21-E42 HydrophobicContact CB-CB 3.99Å; Q21-E42 HydrophobicContact CG-CB 3.85Å; H22-E42 PolarHBondContact N-O 3.14Å
43F93.2Very high92Very high40 Ų4036.3 Ų36.318%0.17521%0.209CC..EExtended strand (participates in β ladder)trans-132.2105.8-173.6-55.1-88.9000111H22 I32 A36 A40 M45 L111H22-F43 HydrophobicContact CB-CD1 4.1Å; H22-F43 HydrophobicContact CB-CE1 4.32Å; H22-F43 CarbonylContact O-C 3.58Å; H22-F43 WeakPolarHBondContact O-CA 3.43Å; I32-F43 HydrophobicContact CB-CD1 4.17Å; I32-F43 HydrophobicContact CB-CE1 4.34Å; I32-F43 HydrophobicContact CB-CG 4.48Å; I32-F43 HydrophobicContact CG1-CB 4.44Å; I32-F43 HydrophobicContact CG1-CD1 4.17Å; I32-F43 HydrophobicContact CG1-CG 4.23Å; I32-F43 HydrophobicContact CG2-CD1 3.89Å; I32-F43 HydrophobicContact CG2-CD2 3.9Å; I32-F43 HydrophobicContact CG2-CE1 3.84Å; I32-F43 HydrophobicContact CG2-CE2 3.89Å; I32-F43 HydrophobicContact CG2-CG 3.93Å; I32-F43 HydrophobicContact CG2-CZ 3.86Å; I32-F43 WeakPolarHBondContact O-CE1 3.27Å; A36-F43 HydrophobicContact CB-CZ 3.87Å; A40-F43 HydrophobicContact CB-CE1 4.07Å; A40-F43 HydrophobicContact CB-CZ 4.23Å; F43-M45 HydrophobicContact CB-CE 4.21Å; F43-L111 HydrophobicContact CD2-CD2 4.33Å; F43-L111 HydrophobicContact CE2-CD2 3.58Å; F43-L111 HydrophobicContact CZ-CD2 4.25Å
44G93.3Very high91.7Very high15 Ų1537.9 Ų37.916%0.15523%0.225CC..EExtended strand (participates in β ladder)trans-87.812217700000112.5H22 S23H22-G44 PolarHBondContact O-N 2.82Å; S23-G44 WeakPolarHBondContact CA-O 3.4Å; S23-G44 VanDerWaalsContact CB-O 3.27Å; S23-G44 WeakPolarHBondContact CB-O 3.42Å
45M92.4Very high91.5Very high47 Ų4736.3 Ų36.323%0.23222%0.219CC..  trans-116.5138.1177.9-58.8163.4-151.100109.9V26 I32 F43 P49 Y91 M92 L95V26-M45 HydrophobicContact CB-CG 4.19Å; V26-M45 HydrophobicContact CG1-CE 4.21Å; V26-M45 HydrophobicContact CG1-CG 4.14Å; I32-M45 HydrophobicContact CD1-CE 3.69Å; I32-M45 HydrophobicContact CG1-CE 4.3Å; F43-M45 HydrophobicContact CB-CE 4.21Å; M45-P49 HydrophobicContact CB-CG 3.9Å; M45-Y91 HydrophobicContact SD-CE1 4.14Å; M45-M92 HydrophobicContact SD-CE 3.98Å; M45-M92 HydrophobicContact SD-SD 3.98Å; M45-L95 HydrophobicContact CE-CD2 3.38Å; M45-L95 HydrophobicContact SD-CD2 3.46Å; M45-L95 WeakPolarHBondContact SD-CD2 3.33Å
46S90.1Very high91.1Very high80 Ų8036.5 Ų36.556%0.55922%0.22SC*.SBendtrans-124.6-57.8177.959.30000111.8L50S46-L50 VanDerWaalsContact O-CG 3.29Å; S46-L50 WeakPolarHBondContact O-CG 3.16Å; S46-L50 PolarHBondContact O-N 3.2Å
47T90.8Very high90.9Very high62 Ų6238.9 Ų38.938%0.3823%0.232SC..Hα-helixtrans-71-42.7-174.2-53.80000113.7L50 I51 M57T47-L50 WeakPolarHBondContact O-CB 3.44Å; T47-L50 PolarHBondContact O-N 2.86Å; T47-I51 HydrophobicContact CG2-CD1 3.89Å; T47-I51 HydrophobicContact CG2-CG1 4.33Å; T47-I51 WeakPolarHBondContact O-CG1 3.42Å; T47-I51 PolarHBondContact O-N 2.85Å; T47-M57 HydrophobicContact CG2-CE 4.2Å; T47-M57 HydrophobicContact CG2-SD 3.81Å
48A92.2Very high90.5Very high12 Ų1239.3 Ų39.310%0.09923%0.233CC..Hα-helixtrans-65.9-44.2-175.600000113.6V27 L50 I51 A52 Y91V27-A48 HydrophobicContact CG1-CB 4.16Å; A48-L50 VanDerWaalsContact C-N 3.29Å; A48-L50 PolarHBondContact O-N 3.25Å; A48-I51 PolarHBondContact O-N 3.24Å; A48-I51 VanDerWaalsContact O-N 3.1Å; A48-A52 PolarHBondContact O-N 2.93Å; A48-Y91 HydrophobicContact CB-CE1 3.95Å; A48-Y91 HydrophobicContact CB-CE2 4.2Å; A48-Y91 WeakPolarHBondContact CB-OH 3.06Å
49P93.1Very high90.5Very high19 Ų1944.5 Ų44.512%0.12325%0.249CC..Hα-helixtrans-58.2-38.7170.6-27.236000113.2M45 I51 A52 L53 V88 Y91 M92M45-P49 HydrophobicContact CB-CG 3.9Å; P49-I51 VanDerWaalsContact C-N 3.34Å; P49-I51 PolarHBondContact O-N 3.5Å; P49-A52 WeakPolarHBondContact O-CB 3.44Å; P49-A52 PolarHBondContact O-N 3.27Å; P49-L53 WeakPolarHBondContact O-CG 3.46Å; P49-L53 PolarHBondContact O-N 2.96Å; P49-V88 HydrophobicContact CB-CG1 4.22Å; P49-V88 HydrophobicContact CB-CG2 4.5Å; P49-Y91 HydrophobicContact CG-CE1 4.31Å; P49-M92 HydrophobicContact CG-CE 3.93Å
50L93.9Very high90.5Very high74 Ų7446.6 Ų46.639%0.38726%0.257SS..Hα-helixtrans-65-36.3175.1-66.6174.3000112.4S46 T47 A48 L53 G54 C55 I70S46-L50 VanDerWaalsContact O-CG 3.29Å; S46-L50 WeakPolarHBondContact O-CG 3.16Å; S46-L50 PolarHBondContact O-N 3.2Å; T47-L50 WeakPolarHBondContact O-CB 3.44Å; T47-L50 PolarHBondContact O-N 2.86Å; A48-L50 VanDerWaalsContact C-N 3.29Å; A48-L50 PolarHBondContact O-N 3.25Å; L50-L53 PolarHBondContact O-N 3.39Å; L50-G54 PolarHBondContact O-N 3.13Å; L50-C55 VanDerWaalsContact C-CB 3.49Å; L50-C55 HydrophobicContact CB-CB 4.13Å; L50-C55 WeakPolarHBondContact O-CB 3.44Å; L50-C55 PolarHBondContact O-N 3.36Å; L50-I70 HydrophobicContact CD2-CG2 3.83Å
51I91.5Very high90.6Very high82 Ų8249.7 Ų49.742%0.42128%0.277SS..Hα-helixtrans-66.1-43.5173.7-68.1169.4000110.4T47 A48 P49 L53 G54 C55 M57T47-I51 HydrophobicContact CG2-CD1 3.89Å; T47-I51 HydrophobicContact CG2-CG1 4.33Å; T47-I51 WeakPolarHBondContact O-CG1 3.42Å; T47-I51 PolarHBondContact O-N 2.85Å; A48-I51 PolarHBondContact O-N 3.24Å; A48-I51 VanDerWaalsContact O-N 3.1Å; P49-I51 VanDerWaalsContact C-N 3.34Å; P49-I51 PolarHBondContact O-N 3.5Å; I51-L53 PolarHBondContact O-N 3.38Å; I51-G54 WeakPolarHBondContact O-CA 3.48Å; I51-G54 PolarHBondContact O-N 2.85Å; I51-C55 HydrophobicContact CG1-CB 4.26Å; I51-M57 HydrophobicContact CD1-CG 4.09Å; I51-M57 HydrophobicContact CD1-SD 4.09Å; I51-M57 HydrophobicContact CG1-CG 4.31Å; I51-M57 HydrophobicContact CG1-SD 4.29Å
52A91.9Very high90.7Very high30 Ų3055 Ų5525%0.24830%0.301CS..Hα-helixtrans-59.4-33.9174.500000112.1A48 P49 G54 H87 Y91A48-A52 PolarHBondContact O-N 2.93Å; P49-A52 WeakPolarHBondContact O-CB 3.44Å; P49-A52 PolarHBondContact O-N 3.27Å; A52-G54 VanDerWaalsContact C-N 3.26Å; A52-G54 PolarHBondContact O-N 2.82Å; A52-H87 WeakPolarHBondContact O-CB 3.46Å; A52-Y91 HydrophobicContact CB-CG 4.31Å
53L92.6Very high90.6Very high38 Ų3854.6 Ų54.620%0.19930%0.301CS..THydrogen-bonded Turntrans-75.8-5.8172.7-69.9173.3000114.5P49 L50 I51 I70 F81 G83 K84 V88P49-L53 WeakPolarHBondContact O-CG 3.46Å; P49-L53 PolarHBondContact O-N 2.96Å; L50-L53 PolarHBondContact O-N 3.39Å; I51-L53 PolarHBondContact O-N 3.38Å; L53-I70 HydrophobicContact CB-CD1 4.37Å; L53-F81 HydrophobicContact CB-CE2 4.15Å; L53-F81 HydrophobicContact CB-CZ 4.4Å; L53-F81 HydrophobicContact CD1-CZ 4.49Å; L53-F81 HydrophobicContact CD2-CZ 4.14Å; L53-G83 WeakPolarHBondContact O-CA 3.36Å; L53-K84 WeakPolarHBondContact CD2-O 3.39Å; L53-V88 HydrophobicContact CD1-CG2 4.02Å; L53-V88 HydrophobicContact CD2-CG2 3.61Å; L53-V88 HydrophobicContact CG-CG2 3.55Å
54G89.8Confident90.5Very high34 Ų3454.3 Ų54.335%0.35130%0.301SS..THydrogen-bonded Turntrans116.66.2175.400000115.7L50 I51 A52 T56L50-G54 PolarHBondContact O-N 3.13Å; I51-G54 WeakPolarHBondContact O-CA 3.48Å; I51-G54 PolarHBondContact O-N 2.85Å; A52-G54 VanDerWaalsContact C-N 3.26Å; A52-G54 PolarHBondContact O-N 2.82Å; G54-T56 WeakPolarHBondContact O-CG2 3.18Å; G54-T56 PolarHBondContact O-N 3.43Å
55C91.1Very high90.2Very high30 Ų3054 Ų5420%0.20330%0.296CS..  trans-60.9123.8178179.60000111.3L50 I51 M57 I70L50-C55 VanDerWaalsContact C-CB 3.49Å; L50-C55 HydrophobicContact CB-CB 4.13Å; L50-C55 WeakPolarHBondContact O-CB 3.44Å; L50-C55 PolarHBondContact O-N 3.36Å; I51-C55 HydrophobicContact CG1-CB 4.26Å; C55-M57 VanDerWaalsContact C-N 3.34Å; C55-I70 HydrophobicContact CB-CD1 3.76Å
56T85.9Confident90.1Very high10 Ų1052.5 Ų52.56%0.06129%0.29CS..  trans-94.110.3-176.359.30000113.4G54 M58 V68 I657G54-T56 WeakPolarHBondContact O-CG2 3.18Å; G54-T56 PolarHBondContact O-N 3.43Å; T56-M58 PolarHBondContact O-N 3.48Å; T56-V68 HydrophobicContact CG2-CG1 4.01Å; T56-I657 HydrophobicContact CG2-CD1 3.19Å
57M87.8Confident89.9Confident50 Ų5048.8 Ų48.825%0.24626%0.264CS..  trans5337.4-176.7-64.7-63-7200113.6T47 I51 C55 R59 V597T47-M57 HydrophobicContact CG2-CE 4.2Å; T47-M57 HydrophobicContact CG2-SD 3.81Å; I51-M57 HydrophobicContact CD1-CG 4.09Å; I51-M57 HydrophobicContact CD1-SD 4.09Å; I51-M57 HydrophobicContact CG1-CG 4.31Å; I51-M57 HydrophobicContact CG1-SD 4.29Å; C55-M57 VanDerWaalsContact C-N 3.34Å; M57-R59 PolarHBondContact O-N 3.26Å; M57-V597 HydrophobicContact CB-CB 4.32Å; M57-V597 HydrophobicContact CB-CG2 3.79Å; M57-V597 PolarHBondContact O-N 3.25Å
58M85.7Confident89.9Confident12 Ų1246.3 Ų46.36%0.05925%0.249CC..  trans-62.2-25.9174.1177.6177.7162.900112.8T56 K60 P67 M593 G596T56-M58 PolarHBondContact O-N 3.48Å; M58-K60 VanDerWaalsContact C-N 3.29Å; M58-K60 HydrophobicContact CE-CB 3.64Å; M58-K60 HydrophobicContact CE-CG 3.58Å; M58-K60 HydrophobicContact CG-CB 4.12Å; M58-K60 HydrophobicContact CG-CG 3.82Å; M58-K60 PolarHBondContact O-N 3.31Å; M58-K60 HydrophobicContact SD-CB 4.43Å; M58-K60 HydrophobicContact SD-CG 4.46Å; M58-P67 WeakPolarHBondContact SD-CD 3.2Å; M58-P67 HydrophobicContact SD-CG 3.88Å; M58-M593 HydrophobicContact CE-CB 3.52Å; M58-M593 HydrophobicContact CE-CG 3.83Å; M58-M593 HydrophobicContact CE-SD 3.82Å; M58-M593 HydrophobicContact SD-CB 3.98Å; M58-M593 HydrophobicContact SD-CE 4.02Å; M58-M593 HydrophobicContact SD-CG 4.27Å; M58-M593 HydrophobicContact SD-SD 3.59Å; M58-G596 PolarHBondContact O-N 2.87Å
59R89.4Confident89.9Confident161 Ų16146.1 Ų46.161%0.60825%0.248SC*.  trans57.932.8179.2-58-176.8-177.5-164.6-1.9114.9M57M57-R59 PolarHBondContact O-N 3.26Å
60K86.5Confident89.9Confident49 Ų4947.2 Ų47.221%0.21325%0.253CS..  trans-11829173.8-55.8-63.6-177.4176.80112.3M58 H62 L63 D594M58-K60 VanDerWaalsContact C-N 3.29Å; M58-K60 HydrophobicContact CE-CB 3.64Å; M58-K60 HydrophobicContact CE-CG 3.58Å; M58-K60 HydrophobicContact CG-CB 4.12Å; M58-K60 HydrophobicContact CG-CG 3.82Å; M58-K60 PolarHBondContact O-N 3.31Å; M58-K60 HydrophobicContact SD-CB 4.43Å; M58-K60 HydrophobicContact SD-CG 4.46Å; K60-H62 VanDerWaalsContact C-N 3.27Å; K60-H62 PolarHBondContact O-N 3.04Å; K60-L63 HydrophobicContact CB-CD1 4.14Å; K60-L63 HydrophobicContact CB-CG 4.46Å; K60-L63 HydrophobicContact CD-CD1 4.04Å; K60-L63 HydrophobicContact CG-CD1 4.44Å; K60-L63 WeakPolarHBondContact O-CB 3.37Å; K60-L63 PolarHBondContact O-N 3.4Å; K60-D594 WeakPolarHBondContact CE-O 3.47Å; K60-D594 PolarHBondContact NZ-O 2.98Å; K60-D594 IonicContact NZ-OD2 3.59Å; K60-D594 PolarHBondContact NZ-OD2 3.12Å
61C92Very high89.9Confident74 Ų7445.4 Ų45.450%0.525%0.248SC..G310 helixtrans-56.5-40.1-176.2-480000112.6L63 N64 A71C61-L63 PolarHBondContact O-N 3.5Å; C61-N64 PolarHBondContact O-N 3.27Å; C61-A71 HydrophobicContact CB-CB 3.7Å
62H91Very high89.9Confident151 Ų15141.8 Ų41.870%0.69923%0.23SC*.G310 helixtrans-67.3-14.517961.6-82.3000114.1K60K60-H62 VanDerWaalsContact C-N 3.27Å; K60-H62 PolarHBondContact O-N 3.04Å
63L88.7Confident89.9Confident76 Ų7645.7 Ų45.740%0.39824%0.243SC..G310 helixtrans-90.7-2.1179-59.5-176.2000113.1K60 C61 T65K60-L63 HydrophobicContact CB-CD1 4.14Å; K60-L63 HydrophobicContact CB-CG 4.46Å; K60-L63 HydrophobicContact CD-CD1 4.04Å; K60-L63 HydrophobicContact CG-CD1 4.44Å; K60-L63 WeakPolarHBondContact O-CB 3.37Å; K60-L63 PolarHBondContact O-N 3.4Å; C61-L63 PolarHBondContact O-N 3.5Å; L63-T65 PolarHBondContact O-N 3.22Å
64N90.3Very high89.7Confident35 Ų3544.4 Ų44.419%0.18724%0.236CC..THydrogen-bonded Turntrans60.824.2-179.6177.269.1000113.2C61 T72 Q73 D74 R438C61-N64 PolarHBondContact O-N 3.27Å; N64-T72 PolarHBondContact O-OG1 3.48Å; N64-T72 PolarHBondContact OD1-OG1 3.18Å; N64-Q73 WeakPolarHBondContact OD1-CA 3.35Å; N64-Q73 PolarHBondContact OD1-N 2.77Å; N64-D74 PolarHBondContact OD1-N 3.16Å; N64-R438 PolarHBondContact ND2-NH1 3.02Å; N64-R438 VanDerWaalsContact ND2-NH1 3.19Å; N64-R438 PolarHBondContact ND2-NH2 2.89Å; N64-R438 PolarHBondContact OD1-NH2 2.87Å; N64-R438 VanDerWaalsContact OD1-NH2 3.14Å
65T88.3Confident89.7Confident7 Ų746.2 Ų46.24%0.04324%0.242CC..  trans-116.431.7-176.551.90000113.6L63 P67 R550 F552L63-T65 PolarHBondContact O-N 3.22Å; T65-P67 WeakPolarHBondContact O-CD 3.22Å; T65-R550 HydrophobicContact CG2-CG 4.14Å; T65-F552 WeakPolarHBondContact O-CZ 3.33Å
66C89.9Confident89.6Confident17 Ų1748.9 Ų48.912%0.11526%0.257CS..  trans-61.9117.9178.6-174.30000111.4V68 G69 I70 A71 T72C66-V68 PolarHBondContact O-N 3.06Å; C66-G69 PolarHBondContact O-N 3.36Å; C66-I70 PolarHBondContact SG-N 2.8Å; C66-A71 HydrophobicContact CB-CB 4.42Å; C66-T72 HydrophobicContact CB-CG2 3.98Å
67P86.3Confident89.7Confident1 Ų148.4 Ų48.41%0.00625%0.254CS..THydrogen-bonded Turntrans-73.5-13.3-173.430.1-37.7000113.9M58 T65 K80 F552 M593 S658M58-P67 WeakPolarHBondContact SD-CD 3.2Å; M58-P67 HydrophobicContact SD-CG 3.88Å; T65-P67 WeakPolarHBondContact O-CD 3.22Å; P67-K80 WeakPolarHBondContact O-CD 3.2Å; P67-F552 HydrophobicContact CB-CE2 4.35Å; P67-M593 HydrophobicContact CB-CE 4.19Å; P67-M593 HydrophobicContact CB-SD 3.74Å; P67-M593 HydrophobicContact CG-CE 3.83Å; P67-M593 HydrophobicContact CG-SD 3.72Å; P67-S658 WeakPolarHBondContact O-CB 3.13Å; P67-S658 PolarHBondContact O-OG 2.66Å
68V89.9Confident90Very high11 Ų1151.9 Ų51.97%0.06727%0.265CS..THydrogen-bonded Turntrans-112.913.7-178.7-62.80000112.1T56 C66 I70 F81 I657T56-V68 HydrophobicContact CG2-CG1 4.01Å; C66-V68 PolarHBondContact O-N 3.06Å; V68-I70 VanDerWaalsContact C-N 3.33Å; V68-I70 HydrophobicContact CG2-CD1 4.04Å; V68-I70 HydrophobicContact CG2-CG1 4.15Å; V68-I70 PolarHBondContact O-N 3.49Å; V68-F81 WeakPolarHBondContact O-CA 3.28Å; V68-I657 HydrophobicContact CG1-CG2 4.12Å
69G91.8Very high90.3Very high8 Ų855.5 Ų55.58%0.08230%0.296CS..SBendtrans74.57.2170.400000117.7C66 L77C66-G69 PolarHBondContact O-N 3.36Å; G69-L77 WeakPolarHBondContact CA-O 3.26Å; G69-L77 PolarHBondContact N-O 3.24Å
70I93.6Very high90.3Very high42 Ų4249.6 Ų49.622%0.21528%0.275CS..SBendtrans-79.2-62.6-176.9-65.4174.6000112.6L50 L53 C55 C66 V68 T72 F81L50-I70 HydrophobicContact CD2-CG2 3.83Å; L53-I70 HydrophobicContact CB-CD1 4.37Å; C55-I70 HydrophobicContact CB-CD1 3.76Å; C66-I70 PolarHBondContact SG-N 2.8Å; V68-I70 VanDerWaalsContact C-N 3.33Å; V68-I70 HydrophobicContact CG2-CD1 4.04Å; V68-I70 HydrophobicContact CG2-CG1 4.15Å; V68-I70 PolarHBondContact O-N 3.49Å; I70-T72 PolarHBondContact O-N 2.92Å; I70-F81 HydrophobicContact CD1-CE2 4.47Å; I70-F81 HydrophobicContact CG1-CD2 3.74Å; I70-F81 HydrophobicContact CG1-CE2 3.76Å
71A93.8Very high90.5Very high35 Ų3551.3 Ų51.329%0.28928%0.283SS..SBendtrans-105.461.8-174.600000110.5C61 C66C61-A71 HydrophobicContact CB-CB 3.7Å; C66-A71 HydrophobicContact CB-CB 4.42Å
72T91.7Very high90.4Very high7 Ų755.2 Ų55.24%0.04329%0.294CS..  trans-153.9142.8179.5-1780000110.4N64 C66 I70 D74 L77 R78N64-T72 PolarHBondContact O-OG1 3.48Å; N64-T72 PolarHBondContact OD1-OG1 3.18Å; C66-T72 HydrophobicContact CB-CG2 3.98Å; I70-T72 PolarHBondContact O-N 2.92Å; T72-D74 WeakPolarHBondContact OG1-CB 3.4Å; T72-D74 PolarHBondContact OG1-N 3.12Å; T72-L77 HydrophobicContact CG2-CB 3.64Å; T72-R78 HydrophobicContact CG2-CG 4.12Å; T72-R78 VanDerWaalsContact O-CG 3.22Å; T72-R78 WeakPolarHBondContact O-CG 3.49Å
73Q91.8Very high90.4Very high111 Ų11148.7 Ų48.752%0.51927%0.267SS..  trans-97.64.3168.7-58.1-55.2-28.700111.3N64 P75 R438N64-Q73 WeakPolarHBondContact OD1-CA 3.35Å; N64-Q73 PolarHBondContact OD1-N 2.77Å; Q73-P75 WeakPolarHBondContact O-CD 3.25Å; Q73-R438 PolarHBondContact O-NH2 2.73Å
74D88.1Confident90.6Very high11 Ų1150 Ų506%0.05927%0.269CS..  trans-78.2118.9-178.3-174.2-52.2000108.5N64 T72 V76 L77 R78 R550N64-D74 PolarHBondContact OD1-N 3.16Å; T72-D74 WeakPolarHBondContact OG1-CB 3.4Å; T72-D74 PolarHBondContact OG1-N 3.12Å; D74-V76 PolarHBondContact O-N 3.06Å; D74-V76 WeakPolarHBondContact OD1-CB 3.39Å; D74-V76 PolarHBondContact OD1-N 3.39Å; D74-L77 HydrophobicContact CB-CB 4.18Å; D74-L77 HydrophobicContact CB-CD1 4.11Å; D74-L77 HydrophobicContact CB-CG 4.16Å; D74-L77 PolarHBondContact O-N 3.43Å; D74-R78 WeakPolarHBondContact O-CG 3.2Å; D74-R78 PolarHBondContact O-N 3.39Å; D74-R550 IonicContact OD2-CZ 2.79Å; D74-R550 VanDerWaalsContact OD2-CZ 3.27Å; D74-R550 IonicContact OD2-NH1 3.83Å; D74-R550 PolarHBondContact OD2-NH1 3.09Å; D74-R550 IonicContact OD2-NH2 2.75Å; D74-R550 PolarHBondContact OD2-NH2 2.49Å
75P90.7Very high90.8Very high73 Ų7352.7 Ų52.747%0.47429%0.289SS..Hα-helixtrans-56.6-37-175-27.135.4000113.6Q73 L77 R78 A79Q73-P75 WeakPolarHBondContact O-CD 3.25Å; P75-L77 VanDerWaalsContact C-N 3.31Å; P75-L77 PolarHBondContact O-N 3.12Å; P75-R78 PolarHBondContact O-N 2.87Å; P75-A79 WeakPolarHBondContact O-CB 3.23Å; P75-A79 PolarHBondContact O-N 3.42Å; P75-A79 VanDerWaalsContact O-N 3.08Å
76V87.5Confident91.2Very high86 Ų8655.8 Ų55.852%0.52130%0.303SS..Hα-helixtrans-66.5-36.1179.7179.80000110.9D74D74-V76 PolarHBondContact O-N 3.06Å; D74-V76 WeakPolarHBondContact OD1-CB 3.39Å; D74-V76 PolarHBondContact OD1-N 3.39Å
77L89.4Confident91.3Very high0 Ų058.4 Ų58.40%031%0.313CS..Hα-helixtrans-83.3-37178.4-62.4-179.7000112.3G69 T72 D74 P75 A79 K80 F552 I553G69-L77 WeakPolarHBondContact CA-O 3.26Å; G69-L77 PolarHBondContact N-O 3.24Å; T72-L77 HydrophobicContact CG2-CB 3.64Å; D74-L77 HydrophobicContact CB-CB 4.18Å; D74-L77 HydrophobicContact CB-CD1 4.11Å; D74-L77 HydrophobicContact CB-CG 4.16Å; D74-L77 PolarHBondContact O-N 3.43Å; P75-L77 VanDerWaalsContact C-N 3.31Å; P75-L77 PolarHBondContact O-N 3.12Å; L77-A79 PolarHBondContact O-N 2.94Å; L77-K80 HydrophobicContact CD2-CD 4.28Å; L77-K80 WeakPolarHBondContact O-CB 3.28Å; L77-K80 PolarHBondContact O-N 3.49Å; L77-F552 HydrophobicContact CD2-CE2 4.14Å; L77-I553 HydrophobicContact CD1-CD1 3.92Å; L77-I553 HydrophobicContact CD2-CD1 3.81Å; L77-I553 HydrophobicContact CD2-CG1 4.2Å; L77-I553 HydrophobicContact CG-CD1 4.09Å
78R92.6Very high91.7Very high123 Ų12359.9 Ų59.946%0.46432%0.322SS..Hα-helixtrans-57.9-37.5173.8-75.9176.964.5-175.92.4111.5T72 D74 P75 K80 F81 E442T72-R78 HydrophobicContact CG2-CG 4.12Å; T72-R78 VanDerWaalsContact O-CG 3.22Å; T72-R78 WeakPolarHBondContact O-CG 3.49Å; D74-R78 WeakPolarHBondContact O-CG 3.2Å; D74-R78 PolarHBondContact O-N 3.39Å; P75-R78 PolarHBondContact O-N 2.87Å; R78-K80 PolarHBondContact O-N 3.35Å; R78-K80 VanDerWaalsContact O-N 3.09Å; R78-F81 VanDerWaalsContact O-CB 3.3Å; R78-F81 WeakPolarHBondContact O-CB 3.33Å; R78-F81 PolarHBondContact O-N 2.88Å; R78-F81 VanDerWaalsContact O-N 3.07Å; R78-E442 IonicContact NH1-OE1 3.29Å
79A92.6Very high92.1Very high87 Ų8763.4 Ų63.472%0.71934%0.34SS*.THydrogen-bonded Turntrans-60.7-16.3175.300000114.2P75 L77 F81P75-A79 WeakPolarHBondContact O-CB 3.23Å; P75-A79 PolarHBondContact O-N 3.42Å; P75-A79 VanDerWaalsContact O-N 3.08Å; L77-A79 PolarHBondContact O-N 2.94Å; A79-F81 VanDerWaalsContact C-N 3.34Å
80K89.1Confident92.2Very high37 Ų3767.3 Ų67.316%0.16136%0.358CS..THydrogen-bonded Turntrans-88.72.3177.3-57.6178.6175.1-177.10113.7P67 L77 R78 E82 E659P67-K80 WeakPolarHBondContact O-CD 3.2Å; L77-K80 HydrophobicContact CD2-CD 4.28Å; L77-K80 WeakPolarHBondContact O-CB 3.28Å; L77-K80 PolarHBondContact O-N 3.49Å; R78-K80 PolarHBondContact O-N 3.35Å; R78-K80 VanDerWaalsContact O-N 3.09Å; K80-E82 PolarHBondContact O-N 3.08Å; K80-E659 WeakPolarHBondContact CE-OE1 3.47Å; K80-E659 VanDerWaalsContact NZ-CG 3.27Å; K80-E659 IonicContact NZ-OE1 3.08Å; K80-E659 PolarHBondContact NZ-OE1 2.87Å
81F92.5Very high92.2Very high85 Ų8566.9 Ų66.937%0.37335%0.354SS..  trans-73.4111.3178.2179-107000110.6L53 V68 I70 R78 A79 G83L53-F81 HydrophobicContact CB-CE2 4.15Å; L53-F81 HydrophobicContact CB-CZ 4.4Å; L53-F81 HydrophobicContact CD1-CZ 4.49Å; L53-F81 HydrophobicContact CD2-CZ 4.14Å; V68-F81 WeakPolarHBondContact O-CA 3.28Å; I70-F81 HydrophobicContact CD1-CE2 4.47Å; I70-F81 HydrophobicContact CG1-CD2 3.74Å; I70-F81 HydrophobicContact CG1-CE2 3.76Å; R78-F81 VanDerWaalsContact O-CB 3.3Å; R78-F81 WeakPolarHBondContact O-CB 3.33Å; R78-F81 PolarHBondContact O-N 2.88Å; R78-F81 VanDerWaalsContact O-N 3.07Å; A79-F81 VanDerWaalsContact C-N 3.34Å; F81-G83 WeakPolarHBondContact CE1-O 3.49Å; F81-G83 WeakPolarHBondContact CZ-O 3.5Å
82E89.2Confident92.3Very high157 Ų15768.7 Ų68.773%0.73436%0.358SS*.  trans-102.41.4177.8-63-174.1165.200113.1K80K80-E82 PolarHBondContact O-N 3.08Å
83G89.8Confident92.5Very high13 Ų1375.2 Ų75.213%0.13439%0.386CS..  trans-66.4137.6-178.500000111.9L53 F81L53-G83 WeakPolarHBondContact O-CA 3.36Å; F81-G83 WeakPolarHBondContact CE1-O 3.49Å; F81-G83 WeakPolarHBondContact CZ-O 3.5Å
84K92.8Very high92.7Very high104 Ų10476 Ų7645%0.45239%0.391SS..  trans-121.6153.6177.9-49.7-175.7172.7-1730111.9L53 E86 H87L53-K84 WeakPolarHBondContact CD2-O 3.39Å; K84-E86 WeakPolarHBondContact CB-OE2 3.5Å; K84-E86 PolarHBondContact O-N 3.44Å; K84-H87 PolarHBondContact N-ND1 3.4Å; K84-H87 WeakPolarHBondContact O-CB 3.38Å; K84-H87 PolarHBondContact O-N 3.08Å
85P95.8Very high93Very high91 Ų9175.9 Ų75.959%0.59139%0.391SS*.Hα-helixtrans-51.3-37.5174.2-2736000113H87 V88 I89P85-H87 PolarHBondContact O-N 3.33Å; P85-V88 PolarHBondContact O-N 3.31Å; P85-V88 VanDerWaalsContact O-N 3.08Å; P85-I89 WeakPolarHBondContact O-CG1 3.22Å; P85-I89 PolarHBondContact O-N 3.01Å
86E95.9Very high93.2Very high72 Ų7274.7 Ų74.734%0.33639%0.386SS..Hα-helixtrans-61.4-29.5179.9-58.777.2-168.100112.5K84 V88 I89 N90K84-E86 WeakPolarHBondContact CB-OE2 3.5Å; K84-E86 PolarHBondContact O-N 3.44Å; E86-V88 VanDerWaalsContact C-N 3.34Å; E86-I89 PolarHBondContact O-N 3.37Å; E86-N90 VanDerWaalsContact O-CB 3.27Å; E86-N90 WeakPolarHBondContact O-CB 3.4Å; E86-N90 PolarHBondContact O-N 2.91Å; E86-N90 PolarHBondContact O-ND2 3.22Å; E86-N90 VanDerWaalsContact O-ND2 3.13Å
87H93.5Very high93.7Very high73 Ų7375.1 Ų75.134%0.33838%0.383SS..Hα-helixtrans-66-40.2177.4-57.3175000111A52 K84 P85 Y91A52-H87 WeakPolarHBondContact O-CB 3.46Å; K84-H87 PolarHBondContact N-ND1 3.4Å; K84-H87 WeakPolarHBondContact O-CB 3.38Å; K84-H87 PolarHBondContact O-N 3.08Å; P85-H87 PolarHBondContact O-N 3.33Å; H87-Y91 WeakPolarHBondContact O-CB 3.3Å; H87-Y91 PolarHBondContact O-N 2.68Å; H87-Y91 VanDerWaalsContact O-N 3.09Å
88V94.7Very high94Very high32 Ų3278.4 Ų78.419%0.19440%0.4CS..Hα-helixtrans-73-41.9176.6-179.60000110.4P49 L53 P85 E86 N90 Y91 M92P49-V88 HydrophobicContact CB-CG1 4.22Å; P49-V88 HydrophobicContact CB-CG2 4.5Å; L53-V88 HydrophobicContact CD1-CG2 4.02Å; L53-V88 HydrophobicContact CD2-CG2 3.61Å; L53-V88 HydrophobicContact CG-CG2 3.55Å; P85-V88 PolarHBondContact O-N 3.31Å; P85-V88 VanDerWaalsContact O-N 3.08Å; E86-V88 VanDerWaalsContact C-N 3.34Å; V88-N90 PolarHBondContact O-N 2.84Å; V88-Y91 WeakPolarHBondContact O-CB 3.4Å; V88-Y91 PolarHBondContact O-N 3.19Å; V88-M92 HydrophobicContact CG1-CE 4.15Å; V88-M92 HydrophobicContact CG1-CG 4.38Å; V88-M92 VanDerWaalsContact O-CG 3.32Å; V88-M92 WeakPolarHBondContact O-CG 3.36Å; V88-M92 PolarHBondContact O-N 2.63Å
89I96.5Very high94.2Very high85 Ų8573.1 Ų73.144%0.43638%0.382SS..Hα-helixtrans-58.2-48.6176.1-68.1166.5000110.6P85 E86 Y91 M92 F93P85-I89 WeakPolarHBondContact O-CG1 3.22Å; P85-I89 PolarHBondContact O-N 3.01Å; E86-I89 PolarHBondContact O-N 3.37Å; I89-Y91 VanDerWaalsContact C-N 3.33Å; I89-Y91 PolarHBondContact O-N 3.38Å; I89-M92 PolarHBondContact O-N 2.98Å; I89-M92 VanDerWaalsContact O-N 3.13Å; I89-F93 HydrophobicContact CG2-CD2 3.63Å; I89-F93 HydrophobicContact CG2-CE2 3.37Å; I89-F93 VanDerWaalsContact O-CD2 3.31Å; I89-F93 WeakPolarHBondContact O-CD2 3.45Å; I89-F93 PolarHBondContact O-N 3.02Å
90N94.9Very high94.4Very high89 Ų8976.5 Ų76.548%0.47638%0.376SS..Hα-helixtrans-61.8-40.4177-71.3-25.1000112.1E86 V88 F93 M94E86-N90 VanDerWaalsContact O-CB 3.27Å; E86-N90 WeakPolarHBondContact O-CB 3.4Å; E86-N90 PolarHBondContact O-N 2.91Å; E86-N90 PolarHBondContact O-ND2 3.22Å; E86-N90 VanDerWaalsContact O-ND2 3.13Å; V88-N90 PolarHBondContact O-N 2.84Å; N90-F93 PolarHBondContact O-N 3.26Å; N90-M94 WeakPolarHBondContact O-CE 3.44Å; N90-M94 WeakPolarHBondContact O-CG 3.45Å; N90-M94 PolarHBondContact O-N 2.96Å
91Y93.8Very high94.8Very high33 Ų3377.4 Ų77.413%0.12938%0.384CS..Hα-helixtrans-57.9-47171.8171.1-106.1000111.9V27 M45 A48 P49 A52 H87 V88 I89 F93 M94 L95V27-Y91 PolarHBondContact O-OH 2.89Å; V27-Y91 VanDerWaalsContact O-OH 3.07Å; M45-Y91 HydrophobicContact SD-CE1 4.14Å; A48-Y91 HydrophobicContact CB-CE1 3.95Å; A48-Y91 HydrophobicContact CB-CE2 4.2Å; A48-Y91 WeakPolarHBondContact CB-OH 3.06Å; P49-Y91 HydrophobicContact CG-CE1 4.31Å; A52-Y91 HydrophobicContact CB-CG 4.31Å; H87-Y91 WeakPolarHBondContact O-CB 3.3Å; H87-Y91 PolarHBondContact O-N 2.68Å; H87-Y91 VanDerWaalsContact O-N 3.09Å; V88-Y91 WeakPolarHBondContact O-CB 3.4Å; V88-Y91 PolarHBondContact O-N 3.19Å; I89-Y91 VanDerWaalsContact C-N 3.33Å; I89-Y91 PolarHBondContact O-N 3.38Å; Y91-F93 PolarHBondContact O-N 3.31Å; Y91-M94 PolarHBondContact O-N 2.82Å; Y91-L95 HydrophobicContact CE1-CD2 4.06Å; Y91-L95 VanDerWaalsContact O-CB 3.32Å; Y91-L95 WeakPolarHBondContact O-CB 3.21Å; Y91-L95 PolarHBondContact O-N 3.18Å
92M95.4Very high95.1Very high73 Ų7374.7 Ų74.736%0.3637%0.373SS..Hα-helixtrans-64.6-38.2178.6-65.8-57.7179.800112.2M45 P49 V88 I89 L95 A96M45-M92 HydrophobicContact SD-CE 3.98Å; M45-M92 HydrophobicContact SD-SD 3.98Å; P49-M92 HydrophobicContact CG-CE 3.93Å; V88-M92 HydrophobicContact CG1-CE 4.15Å; V88-M92 HydrophobicContact CG1-CG 4.38Å; V88-M92 VanDerWaalsContact O-CG 3.32Å; V88-M92 WeakPolarHBondContact O-CG 3.36Å; V88-M92 PolarHBondContact O-N 2.63Å; I89-M92 PolarHBondContact O-N 2.98Å; I89-M92 VanDerWaalsContact O-N 3.13Å; M92-L95 PolarHBondContact O-N 2.81Å; M92-L95 HydrophobicContact SD-CD2 4.41Å; M92-A96 VanDerWaalsContact O-CB 3.27Å; M92-A96 WeakPolarHBondContact O-CB 3.47Å; M92-A96 PolarHBondContact O-N 3.11Å
93F96.3Very high95.5Very high145 Ų14567.7 Ų67.764%0.63634%0.341SS*.Hα-helixtrans-64.7-45.3174.5-81.1-60000112.6I89 N90 Y91 L95 A96 E97I89-F93 HydrophobicContact CG2-CD2 3.63Å; I89-F93 HydrophobicContact CG2-CE2 3.37Å; I89-F93 VanDerWaalsContact O-CD2 3.31Å; I89-F93 WeakPolarHBondContact O-CD2 3.45Å; I89-F93 PolarHBondContact O-N 3.02Å; N90-F93 PolarHBondContact O-N 3.26Å; Y91-F93 PolarHBondContact O-N 3.31Å; F93-L95 VanDerWaalsContact C-N 3.29Å; F93-L95 PolarHBondContact O-N 2.84Å; F93-A96 PolarHBondContact O-N 2.82Å; F93-E97 WeakPolarHBondContact O-CB 3.37Å; F93-E97 PolarHBondContact O-N 2.87Å
94M94.8Very high95.8Very high127 Ų12771 Ų7163%0.62636%0.362SS*.Hα-helixtrans-60.4-41.4175.7-73.2-175-81.100111.6N90 Y91 E97 D98N90-M94 WeakPolarHBondContact O-CE 3.44Å; N90-M94 WeakPolarHBondContact O-CG 3.45Å; N90-M94 PolarHBondContact O-N 2.96Å; Y91-M94 PolarHBondContact O-N 2.82Å; M94-E97 PolarHBondContact O-N 2.81Å; M94-D98 PolarHBondContact O-N 2.8Å
95L94.5Very high96Very high9 Ų974 Ų745%0.04738%0.375CS..Hα-helixtrans-67.3-43.7178.4-174.863.4000112.2G29 I32 M45 Y91 M92 F93 E97 D98 V99G29-L95 VanDerWaalsContact N-CD1 3.29Å; I32-L95 HydrophobicContact CD1-CD1 4Å; I32-L95 HydrophobicContact CD1-CD2 3.71Å; I32-L95 HydrophobicContact CD1-CG 3.67Å; M45-L95 HydrophobicContact CE-CD2 3.38Å; M45-L95 HydrophobicContact SD-CD2 3.46Å; M45-L95 WeakPolarHBondContact SD-CD2 3.33Å; Y91-L95 HydrophobicContact CE1-CD2 4.06Å; Y91-L95 VanDerWaalsContact O-CB 3.32Å; Y91-L95 WeakPolarHBondContact O-CB 3.21Å; Y91-L95 PolarHBondContact O-N 3.18Å; M92-L95 PolarHBondContact O-N 2.81Å; M92-L95 HydrophobicContact SD-CD2 4.41Å; F93-L95 VanDerWaalsContact C-N 3.29Å; F93-L95 PolarHBondContact O-N 2.84Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 3.31Å; L95-D98 PolarHBondContact O-N 2.91Å; L95-V99 WeakPolarHBondContact O-CG2 3.37Å; L95-V99 PolarHBondContact O-N 2.78Å
96A95.8Very high96Very high47 Ų4772.7 Ų72.739%0.38836%0.363SS..Hα-helixtrans-62.5-40.2175.900000111.5M92 F93 V99 R100M92-A96 VanDerWaalsContact O-CB 3.27Å; M92-A96 WeakPolarHBondContact O-CB 3.47Å; M92-A96 PolarHBondContact O-N 3.11Å; F93-A96 PolarHBondContact O-N 2.82Å; A96-V99 WeakPolarHBondContact O-CB 3.46Å; A96-V99 PolarHBondContact O-N 3.32Å; A96-R100 VanDerWaalsContact O-CG 3.31Å; A96-R100 WeakPolarHBondContact O-CG 3.31Å; A96-R100 PolarHBondContact O-N 2.81Å
97E96.9Very high96Very high96 Ų9672.3 Ų72.345%0.44938%0.378SS..Hα-helixtrans-66.1-40.5176.8-167.758.6-160.800111.8F93 M94 L95 V99 R100 V101F93-E97 WeakPolarHBondContact O-CB 3.37Å; F93-E97 PolarHBondContact O-N 2.87Å; M94-E97 PolarHBondContact O-N 2.81Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 3.31Å; E97-V99 VanDerWaalsContact C-N 3.33Å; E97-V99 PolarHBondContact O-N 2.95Å; E97-R100 PolarHBondContact O-N 3.29Å; E97-R100 IonicContact OE1-NH1 3.97Å; E97-R100 IonicContact OE2-CZ 2.68Å; E97-R100 IonicContact OE2-NH1 3.31Å; E97-R100 PolarHBondContact OE2-NH1 3.49Å; E97-V101 WeakPolarHBondContact O-CG2 3.27Å; E97-V101 PolarHBondContact O-N 3.19Å
98D96.5Very high96.1Very high68 Ų6869.7 Ų69.736%0.36437%0.367SS..Hα-helixtrans-59.8-42.6173.1-169.230.9000111.6G29 M94 L95 R100 V101 I102G29-D98 VanDerWaalsContact CA-OD2 3.31Å; G29-D98 WeakPolarHBondContact CA-OD2 3.47Å; G29-D98 PolarHBondContact N-OD2 3.24Å; M94-D98 PolarHBondContact O-N 2.8Å; L95-D98 PolarHBondContact O-N 2.91Å; D98-R100 PolarHBondContact O-N 3.4Å; D98-V101 PolarHBondContact O-N 3.23Å; D98-I102 VanDerWaalsContact O-CG1 3.31Å; D98-I102 WeakPolarHBondContact O-CG1 3.25Å; D98-I102 PolarHBondContact O-N 3Å
99V97.2Very high96.1Very high12 Ų1279.4 Ų79.47%0.07340%0.4CS..Hα-helixtrans-58.9-48.1172.6171.30000111.3I32 V33 L95 A96 E97 V101 I102 L103 L111I32-V99 HydrophobicContact CB-CG2 3.86Å; I32-V99 HydrophobicContact CD1-CG2 3.86Å; I32-V99 HydrophobicContact CG1-CG2 4.44Å; I32-V99 HydrophobicContact CG2-CG2 3.84Å; V33-V99 HydrophobicContact CG2-CB 4.49Å; V33-V99 HydrophobicContact CG2-CG1 3.96Å; V33-V99 HydrophobicContact CG2-CG2 4.46Å; L95-V99 WeakPolarHBondContact O-CG2 3.37Å; L95-V99 PolarHBondContact O-N 2.78Å; A96-V99 WeakPolarHBondContact O-CB 3.46Å; A96-V99 PolarHBondContact O-N 3.32Å; E97-V99 VanDerWaalsContact C-N 3.33Å; E97-V99 PolarHBondContact O-N 2.95Å; V99-V101 VanDerWaalsContact C-N 3.33Å; V99-V101 PolarHBondContact O-N 3.47Å; V99-I102 PolarHBondContact O-N 2.84Å; V99-I102 VanDerWaalsContact O-N 3.14Å; V99-L103 HydrophobicContact CG1-CD1 3.8Å; V99-L103 HydrophobicContact CG1-CG 4.12Å; V99-L103 WeakPolarHBondContact O-CG 3.5Å; V99-L103 PolarHBondContact O-N 2.87Å; V99-L111 HydrophobicContact CG1-CD1 4.16Å
100R97.5Very high96Very high158 Ų15877.4 Ų77.460%0.59639%0.394SS*.Hα-helixtrans-61.1-41.7179.9-69.8174.878.2-131.22.4111.7A96 E97 D98 I102 L103 S104A96-R100 VanDerWaalsContact O-CG 3.31Å; A96-R100 WeakPolarHBondContact O-CG 3.31Å; A96-R100 PolarHBondContact O-N 2.81Å; E97-R100 PolarHBondContact O-N 3.29Å; E97-R100 IonicContact OE1-NH1 3.97Å; E97-R100 IonicContact OE2-CZ 2.68Å; E97-R100 IonicContact OE2-NH1 3.31Å; E97-R100 PolarHBondContact OE2-NH1 3.49Å; D98-R100 PolarHBondContact O-N 3.4Å; R100-I102 VanDerWaalsContact C-N 3.33Å; R100-I102 PolarHBondContact O-N 3.4Å; R100-L103 PolarHBondContact O-N 2.81Å; R100-S104 WeakPolarHBondContact O-CB 3.47Å; R100-S104 PolarHBondContact O-N 2.83Å
101V97.4Very high95.9Very high56 Ų5675.7 Ų75.734%0.33938%0.384SS..Hα-helixtrans-59.5-43.9174.7170.10000110.7E97 D98 V99 S104 K105E97-V101 WeakPolarHBondContact O-CG2 3.27Å; E97-V101 PolarHBondContact O-N 3.19Å; D98-V101 PolarHBondContact O-N 3.23Å; V99-V101 VanDerWaalsContact C-N 3.33Å; V99-V101 PolarHBondContact O-N 3.47Å; V101-S104 PolarHBondContact O-OG 3.08Å; V101-K105 WeakPolarHBondContact O-CG 3.36Å; V101-K105 PolarHBondContact O-N 3.15Å
102I97.4Very high95.7Very high28 Ų2877.1 Ų77.114%0.14440%0.399CS..Hα-helixtrans-68.6-45.1179-63.7166000111.4L30 V33 D98 V99 R100 S104 K105 L106L30-I102 HydrophobicContact CB-CD1 4Å; L30-I102 HydrophobicContact CD1-CD1 4.41Å; L30-I102 VanDerWaalsContact N-CD1 3.32Å; V33-I102 HydrophobicContact CB-CG2 4.05Å; V33-I102 HydrophobicContact CG1-CG2 3.84Å; V33-I102 HydrophobicContact CG2-CB 4.09Å; V33-I102 HydrophobicContact CG2-CG2 3.87Å; D98-I102 VanDerWaalsContact O-CG1 3.31Å; D98-I102 WeakPolarHBondContact O-CG1 3.25Å; D98-I102 PolarHBondContact O-N 3Å; V99-I102 PolarHBondContact O-N 2.84Å; V99-I102 VanDerWaalsContact O-N 3.14Å; R100-I102 VanDerWaalsContact C-N 3.33Å; R100-I102 PolarHBondContact O-N 3.4Å; I102-S104 VanDerWaalsContact C-N 3.28Å; I102-S104 PolarHBondContact O-N 3.41Å; I102-K105 WeakPolarHBondContact O-CB 3.44Å; I102-K105 PolarHBondContact O-N 3.01Å; I102-K105 VanDerWaalsContact O-N 3.1Å; I102-L106 HydrophobicContact CG2-CD1 4.29Å; I102-L106 PolarHBondContact O-N 3.32Å; I102-L106 VanDerWaalsContact O-N 3.11Å
103L97.4Very high95.4Very high11 Ų1177.4 Ų77.46%0.05840%0.399CS..Hα-helixtrans-58.9-41.5177-69.4176.1000111.5V33 V99 R100 K105 L106 G107 L108 L111 A114V33-L103 HydrophobicContact CG2-CD2 4.35Å; V33-L103 HydrophobicContact CG2-CG 4.45Å; V99-L103 HydrophobicContact CG1-CD1 3.8Å; V99-L103 HydrophobicContact CG1-CG 4.12Å; V99-L103 WeakPolarHBondContact O-CG 3.5Å; V99-L103 PolarHBondContact O-N 2.87Å; R100-L103 PolarHBondContact O-N 2.81Å; L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 2.64Å; L103-L106 CarbonylContact O-C 3.56Å; L103-L106 PolarHBondContact O-N 3.46Å; L103-G107 PolarHBondContact O-N 3.08Å; L103-G107 VanDerWaalsContact O-N 3.07Å; L103-L108 CarbonylContact C-O 3.44Å; L103-L108 HydrophobicContact CB-CB 4.43Å; L103-L108 HydrophobicContact CD2-CB 4.15Å; L103-L108 HydrophobicContact CD2-CD1 4.07Å; L103-L108 PolarHBondContact O-N 2.94Å; L103-L111 HydrophobicContact CD1-CB 4.32Å; L103-L111 HydrophobicContact CD1-CD1 4.35Å; L103-L111 HydrophobicContact CD2-CD1 4.36Å; L103-A114 HydrophobicContact CD2-CB 3.98Å
104S96.9Very high95.2Very high82 Ų8270.5 Ų70.557%0.57337%0.369SS*.Hα-helixtrans-60-37.9176.277.90000112.4R100 V101 I102 L106 G107R100-S104 WeakPolarHBondContact O-CB 3.47Å; R100-S104 PolarHBondContact O-N 2.83Å; V101-S104 PolarHBondContact O-OG 3.08Å; I102-S104 VanDerWaalsContact C-N 3.28Å; I102-S104 PolarHBondContact O-N 3.41Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 3.18Å; S104-G107 PolarHBondContact O-N 3.42Å
105K97.1Very high95Very high167 Ų16764.9 Ų64.973%0.72634%0.342SS*.Hα-helixtrans-70.6-27.2176.2-69.9173.5-179.3175.10113V101 I102 L103 G107V101-K105 WeakPolarHBondContact O-CG 3.36Å; V101-K105 PolarHBondContact O-N 3.15Å; I102-K105 WeakPolarHBondContact O-CB 3.44Å; I102-K105 PolarHBondContact O-N 3.01Å; I102-K105 VanDerWaalsContact O-N 3.1Å; L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 2.64Å; K105-G107 VanDerWaalsContact C-N 3.33Å
106L96.2Very high94.6Very high63 Ų6364.4 Ų64.433%0.3334%0.339SS..Hα-helixtrans-85.1-5.8174.5-66.2175.2000113V33 L37 I102 L103 S104 L108V33-L106 HydrophobicContact CG1-CD1 3.85Å; L37-L106 HydrophobicContact CD1-CD1 4.33Å; I102-L106 HydrophobicContact CG2-CD1 4.29Å; I102-L106 PolarHBondContact O-N 3.32Å; I102-L106 VanDerWaalsContact O-N 3.11Å; L103-L106 CarbonylContact O-C 3.56Å; L103-L106 PolarHBondContact O-N 3.46Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-L106 PolarHBondContact O-N 3.18Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-L108 HydrophobicContact CB-CD1 4.14Å; L106-L108 HydrophobicContact CB-CG 4.03Å; L106-L108 HydrophobicContact CD1-CD1 4.38Å
107G96.4Very high94.4Very high64 Ų6465.5 Ų65.566%0.6633%0.334SS*.THydrogen-bonded Turntrans74.221.1-176.200000114.1L103 S104 K105L103-G107 PolarHBondContact O-N 3.08Å; L103-G107 VanDerWaalsContact O-N 3.07Å; S104-G107 PolarHBondContact O-N 3.42Å; K105-G107 VanDerWaalsContact C-N 3.33Å
108L95.3Very high94.1Very high18 Ų1861.1 Ų61.19%0.09431%0.313CS..  trans-101.5137.8-179.8-55.8178.2000110.3L103 L106 E113 A114 L120L103-L108 CarbonylContact C-O 3.44Å; L103-L108 HydrophobicContact CB-CB 4.43Å; L103-L108 HydrophobicContact CD2-CB 4.15Å; L103-L108 HydrophobicContact CD2-CD1 4.07Å; L103-L108 PolarHBondContact O-N 2.94Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-L108 HydrophobicContact CB-CD1 4.14Å; L106-L108 HydrophobicContact CB-CG 4.03Å; L106-L108 HydrophobicContact CD1-CD1 4.38Å; L108-E113 HydrophobicContact CB-CB 4.43Å; L108-E113 HydrophobicContact CD2-CB 4.14Å; L108-A114 HydrophobicContact CD1-CB 3.62Å; L108-L120 HydrophobicContact CD1-CD1 3.88Å; L108-L120 HydrophobicContact CD2-CD1 4.47Å; L108-L120 HydrophobicContact CG-CD1 4.49Å
109R94.9Very high93.9Very high236 Ų23661.2 Ų61.289%0.89131%0.314SS*.SBendtrans-90.4-19.9-178-62.7177.6-179.3177.70.4113.2E113R109-E113 PolarHBondContact N-OE2 3.45Å
110S93.5Very high93.7Very high44 Ų4463 Ų6331%0.30832%0.323SS..SBendtrans-145.9158.5-176.968.20000111.3S112 E113S110-S112 PolarHBondContact O-N 2.93Å; S110-E113 PolarHBondContact O-N 3.26Å; S110-E113 WeakPolarHBondContact OG-CG 3.46Å; S110-E113 PolarHBondContact OG-N 3.27Å; S110-E113 PolarHBondContact OG-OE1 3.34Å; S110-E113 VanDerWaalsContact OG-OE1 3.06Å
111L92.1Very high93.5Very high52 Ų5257.4 Ų57.427%0.27230%0.304SS..Hα-helixtrans-65.5-29.9174.8-167.763.4000111.7I32 A36 F43 V99 L103 E113 A114 V115I32-L111 HydrophobicContact CG2-CD1 4.34Å; I32-L111 HydrophobicContact CG2-CD2 4.21Å; A36-L111 HydrophobicContact CB-CD1 3.71Å; A36-L111 HydrophobicContact CB-CG 4.26Å; F43-L111 HydrophobicContact CD2-CD2 4.33Å; F43-L111 HydrophobicContact CE2-CD2 3.58Å; F43-L111 HydrophobicContact CZ-CD2 4.25Å; V99-L111 HydrophobicContact CG1-CD1 4.16Å; L103-L111 HydrophobicContact CD1-CB 4.32Å; L103-L111 HydrophobicContact CD1-CD1 4.35Å; L103-L111 HydrophobicContact CD2-CD1 4.36Å; L111-E113 VanDerWaalsContact C-N 3.28Å; L111-E113 PolarHBondContact O-N 2.73Å; L111-A114 WeakPolarHBondContact O-CB 3.42Å; L111-A114 PolarHBondContact O-N 3Å; L111-V115 WeakPolarHBondContact O-CG2 3.23Å; L111-V115 PolarHBondContact O-N 3.29Å
112S89.5Confident93.2Very high63 Ų6363.7 Ų63.744%0.44132%0.323SS..Hα-helixtrans-60.9-36.2177.1-176.20000112.5S110 A114 V115S110-S112 PolarHBondContact O-N 2.93Å; S112-A114 PolarHBondContact O-N 2.88Å; S112-V115 PolarHBondContact O-N 2.85Å
113E90.7Very high92.7Very high79 Ų7964.3 Ų64.337%0.36933%0.333SS..Hα-helixtrans-68.7-21.8175.3-71.4161.8-134.700113.2L108 R109 S110 L111 R117L108-E113 HydrophobicContact CB-CB 4.43Å; L108-E113 HydrophobicContact CD2-CB 4.14Å; R109-E113 PolarHBondContact N-OE2 3.45Å; S110-E113 PolarHBondContact O-N 3.26Å; S110-E113 WeakPolarHBondContact OG-CG 3.46Å; S110-E113 PolarHBondContact OG-N 3.27Å; S110-E113 PolarHBondContact OG-OE1 3.34Å; S110-E113 VanDerWaalsContact OG-OE1 3.06Å; L111-E113 VanDerWaalsContact C-N 3.28Å; L111-E113 PolarHBondContact O-N 2.73Å; E113-R117 WeakPolarHBondContact O-CG 3.35Å
114A91.9Very high92.2Very high0 Ų072.3 Ų72.30%036%0.362CS..Hα-helixtrans-81.3-23.8176.200000112.4A36 L37 L103 L108 L111 S112 G116 R117A36-A114 HydrophobicContact CB-CB 4.13Å; L37-A114 WeakPolarHBondContact CA-O 3.35Å; L37-A114 HydrophobicContact CD2-CB 3.97Å; L37-A114 WeakPolarHBondContact CD2-O 3.34Å; L103-A114 HydrophobicContact CD2-CB 3.98Å; L108-A114 HydrophobicContact CD1-CB 3.62Å; L111-A114 WeakPolarHBondContact O-CB 3.42Å; L111-A114 PolarHBondContact O-N 3Å; S112-A114 PolarHBondContact O-N 2.88Å; A114-G116 PolarHBondContact O-N 3.04Å; A114-G116 VanDerWaalsContact O-N 3.11Å; A114-R117 WeakPolarHBondContact O-CB 3.41Å; A114-R117 PolarHBondContact O-N 3.45Å; A114-R117 VanDerWaalsContact O-N 3.08Å
115V89.9Confident91.4Very high9 Ų973 Ų736%0.05537%0.365CS..THydrogen-bonded Turntrans-59.8118.9-170.8-178.70000111.1A36 L111 S112 R117 I153A36-V115 CarbonylContact O-C 3.57Å; A36-V115 VanDerWaalsContact O-CA 3.26Å; A36-V115 WeakPolarHBondContact O-CA 3.48Å; L111-V115 WeakPolarHBondContact O-CG2 3.23Å; L111-V115 PolarHBondContact O-N 3.29Å; S112-V115 PolarHBondContact O-N 2.85Å; V115-R117 VanDerWaalsContact C-N 3.29Å; V115-R117 PolarHBondContact O-N 3.35Å; V115-I153 WeakPolarHBondContact O-CD1 3.45Å
116G87.2Confident90.7Very high0 Ų071.4 Ų71.40%036%0.364CS..THydrogen-bonded Turntrans77.73.3177.600000115.7H6 A36 L37 A114 T118 Y143H6-G116 WeakPolarHBondContact NE2-CA 3.35Å; A36-G116 PolarHBondContact O-N 2.89Å; L37-G116 CarbonylContact O-C 3.51Å; L37-G116 WeakPolarHBondContact O-CA 3.35Å; A114-G116 PolarHBondContact O-N 3.04Å; A114-G116 VanDerWaalsContact O-N 3.11Å; G116-T118 PolarHBondContact O-N 2.9Å; G116-Y143 WeakPolarHBondContact O-CD2 3.1Å; G116-Y143 WeakPolarHBondContact O-CE2 3.38Å
117R90.3Very high89.8Confident70 Ų7071.7 Ų71.726%0.26436%0.363SS..  trans-76.560177.7-68.2-66.4-59.7-82.7-1.4112.7L37 E113 A114 V115 D119 L120 Y143L37-R117 HydrophobicContact CD2-CB 3.79Å; L37-R117 WeakPolarHBondContact CD2-O 3.41Å; L37-R117 CarbonylContact O-C 3.4Å; L37-R117 PolarHBondContact O-N 3.29Å; E113-R117 WeakPolarHBondContact O-CG 3.35Å; A114-R117 WeakPolarHBondContact O-CB 3.41Å; A114-R117 PolarHBondContact O-N 3.45Å; A114-R117 VanDerWaalsContact O-N 3.08Å; V115-R117 VanDerWaalsContact C-N 3.29Å; V115-R117 PolarHBondContact O-N 3.35Å; R117-D119 WeakPolarHBondContact CA-OD1 3.36Å; R117-D119 WeakPolarHBondContact CB-OD1 3.31Å; R117-D119 WeakPolarHBondContact CD-OD1 3.29Å; R117-D119 IonicContact CZ-OD1 3.05Å; R117-D119 IonicContact CZ-OD2 3.77Å; R117-D119 IonicContact NE-OD1 2.87Å; R117-D119 PolarHBondContact NE-OD1 3.43Å; R117-D119 IonicContact NE-OD2 3.52Å; R117-D119 PolarHBondContact NE-OD2 3.04Å; R117-D119 VanDerWaalsContact NE-OD2 3.17Å; R117-D119 IonicContact NH2-OD1 3.38Å; R117-D119 IonicContact NH2-OD2 3.24Å; R117-D119 PolarHBondContact NH2-OD2 2.7Å; R117-D119 PolarHBondContact O-N 3.07Å; R117-D119 VanDerWaalsContact O-N 3.11Å; R117-L120 HydrophobicContact CB-CD1 3.95Å; R117-L120 HydrophobicContact CB-CG 4.19Å; R117-L120 PolarHBondContact O-N 3.1Å; R117-Y143 WeakPolarHBondContact CD-OH 3.12Å
118T91.3Very high88.9Confident3 Ų378.6 Ų78.62%0.01837%0.374CS..G310 helixtrans-64.5-14.6179.266.50000113Y3 L37 L38 G116 L120 L121 L141 R142 Y143Y3-T118 HydrophobicContact CE2-CG2 4.49Å; L37-T118 WeakPolarHBondContact O-CG2 3.46Å; L37-T118 PolarHBondContact O-N 2.98Å; L38-T118 HydrophobicContact CD2-CG2 4.29Å; G116-T118 PolarHBondContact O-N 2.9Å; T118-L120 PolarHBondContact O-N 3.41Å; T118-L121 PolarHBondContact O-N 3.44Å; T118-L121 VanDerWaalsContact O-N 3.07Å; T118-L141 WeakPolarHBondContact CB-O 3.33Å; T118-L141 PolarHBondContact OG1-O 3.2Å; T118-R142 PolarHBondContact OG1-O 3.24Å; T118-Y143 WeakPolarHBondContact OG1-CA 3.44Å; T118-Y143 PolarHBondContact OG1-N 3.31Å
119D91.4Very high88.3Confident71 Ų7180.4 Ų80.438%0.3839%0.388SS..G310 helixtrans-59.7-22.4169.861.3-60.9000113.2R117 L121 Y143R117-D119 WeakPolarHBondContact CA-OD1 3.36Å; R117-D119 WeakPolarHBondContact CB-OD1 3.31Å; R117-D119 WeakPolarHBondContact CD-OD1 3.29Å; R117-D119 IonicContact CZ-OD1 3.05Å; R117-D119 IonicContact CZ-OD2 3.77Å; R117-D119 IonicContact NE-OD1 2.87Å; R117-D119 PolarHBondContact NE-OD1 3.43Å; R117-D119 IonicContact NE-OD2 3.52Å; R117-D119 PolarHBondContact NE-OD2 3.04Å; R117-D119 VanDerWaalsContact NE-OD2 3.17Å; R117-D119 IonicContact NH2-OD1 3.38Å; R117-D119 IonicContact NH2-OD2 3.24Å; R117-D119 PolarHBondContact NH2-OD2 2.7Å; R117-D119 PolarHBondContact O-N 3.07Å; R117-D119 VanDerWaalsContact O-N 3.11Å; D119-L121 VanDerWaalsContact C-N 3.29Å; D119-Y143 HydrophobicContact CB-CD1 4Å; D119-Y143 HydrophobicContact CB-CD2 4.49Å; D119-Y143 HydrophobicContact CB-CE1 4.42Å; D119-Y143 HydrophobicContact CB-CG 4.06Å
120L93.8Very high87.6Confident50 Ų5078.2 Ų78.226%0.26239%0.385SS..G310 helixtrans-86.82.9176.4-56.9178.3000113.3L37 L108 R117 T118L37-L120 HydrophobicContact CD1-CB 4.28Å; L37-L120 HydrophobicContact CD2-CB 3.99Å; L37-L120 HydrophobicContact CD2-CD1 3.8Å; L37-L120 HydrophobicContact CD2-CG 4.38Å; L108-L120 HydrophobicContact CD1-CD1 3.88Å; L108-L120 HydrophobicContact CD2-CD1 4.47Å; L108-L120 HydrophobicContact CG-CD1 4.49Å; R117-L120 HydrophobicContact CB-CD1 3.95Å; R117-L120 HydrophobicContact CB-CG 4.19Å; R117-L120 PolarHBondContact O-N 3.1Å; T118-L120 PolarHBondContact O-N 3.41Å
121L94Very high87.3Confident39 Ų3984.3 Ų84.320%0.20441%0.407CS..  trans-114.2138.1178-68.1176.5000110.9I34 L37 L38 T118 D119 L141I34-L121 HydrophobicContact CG1-CD2 4.29Å; L37-L121 HydrophobicContact CB-CD1 3.75Å; L37-L121 HydrophobicContact CB-CG 3.97Å; L37-L121 HydrophobicContact CD1-CD1 4.39Å; L37-L121 HydrophobicContact CD1-CD2 3.62Å; L37-L121 HydrophobicContact CD1-CG 3.79Å; L38-L121 HydrophobicContact CD2-CD1 3.85Å; L38-L121 HydrophobicContact CG-CD1 4.01Å; T118-L121 PolarHBondContact O-N 3.44Å; T118-L121 VanDerWaalsContact O-N 3.07Å; D119-L121 VanDerWaalsContact C-N 3.29Å; L121-L141 HydrophobicContact CB-CD2 3.53Å; L121-L141 HydrophobicContact CD1-CD2 4.26Å
122Y90.6Very high86.8Confident189 Ų18983.1 Ų83.174%0.74140%0.404SS*.  trans-141.7152.4171.562.1-85.4000110.8
123A87Confident86.5Confident41 Ų4183.6 Ų83.634%0.33941%0.407SS..  trans-67.6133.8174.200000109.9F127 F137A123-F127 HydrophobicContact CB-CZ 4.39Å; A123-F137 HydrophobicContact CB-CB 4.48Å; A123-F137 HydrophobicContact CB-CD2 3.64Å; A123-F137 HydrophobicContact CB-CE2 4.26Å; A123-F137 HydrophobicContact CB-CG 4.34Å
124R85.8Confident86.3Confident179 Ų17986.6 Ų86.668%0.67542%0.424SS*.  trans-60.2125.3178.9-168.5-179.3-162.9172.36.6109.5N126R124-N126 VanDerWaalsContact C-N 3.32Å; R124-N126 PolarHBondContact O-N 3.4Å
125P80.6Confident86.2Confident97 Ų9791.5 Ų91.563%0.6345%0.45SS*.SBendtrans-66.8-32.3-171.723-33.2000113.2
126N81.9Confident86.1Confident132 Ų13299.2 Ų99.271%0.70649%0.486SS*.SBendtrans-104.281.6-175.2-64.3-16.7000111.2R124 K128R124-N126 VanDerWaalsContact C-N 3.32Å; R124-N126 PolarHBondContact O-N 3.4Å; N126-K128 PolarHBondContact O-N 3.1Å
127F77.7Confident86.1Confident70 Ų70102.5 Ų102.531%0.30750%0.5SS..  trans-64.4130.8173.7-62.7-78.2000110.9A123 S129 A132 C133 F137A123-F127 HydrophobicContact CB-CZ 4.39Å; F127-S129 VanDerWaalsContact C-N 3.25Å; F127-S129 PolarHBondContact O-N 3.36Å; F127-A132 HydrophobicContact CB-CB 4.17Å; F127-A132 HydrophobicContact CD1-CB 3.7Å; F127-A132 HydrophobicContact CE1-CB 4.49Å; F127-A132 HydrophobicContact CG-CB 4.21Å; F127-C133 VanDerWaalsContact CB-SG 3.59Å; F127-C133 HydrophobicContact CD2-CB 4.27Å; F127-F137 HydrophobicContact CE1-CE2 4.08Å; F127-F137 HydrophobicContact CZ-CE2 4.22Å
128K78.5Confident85.9Confident208 Ų208105.9 Ų105.990%0.90452%0.519SS*.SBendtrans-70.6-21.8176-70.2-172.5176.8-176.10113.5N126N126-K128 PolarHBondContact O-N 3.1Å
129S81.5Confident85.7Confident56 Ų56109.7 Ų109.739%0.39254%0.543SS..SBendtrans-124.2132.8-172.7165.10000109.8F127 K131 A132 C133F127-S129 VanDerWaalsContact C-N 3.25Å; F127-S129 PolarHBondContact O-N 3.36Å; S129-K131 PolarHBondContact O-N 2.9Å; S129-K131 VanDerWaalsContact O-N 3.17Å; S129-K131 PolarHBondContact OG-N 3.04Å; S129-A132 WeakPolarHBondContact O-CB 3.48Å; S129-A132 PolarHBondContact O-N 3.36Å; S129-C133 PolarHBondContact O-N 2.95Å
130K81.5Confident85.5Confident190 Ų190109.4 Ų109.483%0.82654%0.541SS*.THydrogen-bonded Turntrans-55-32.4173.1-66.2-173.6-177.8179.50112.5A132 C133K130-A132 VanDerWaalsContact C-N 3.34Å; K130-C133 WeakPolarHBondContact O-CB 3.22Å; K130-C133 PolarHBondContact O-N 2.82Å
131K86.1Confident85.3Confident173 Ų173108.9 Ų108.975%0.75254%0.538SS*.THydrogen-bonded Turntrans-68.5-33.6177.2-66.2-175.3177.8-177.50112.4S129 C133 L134S129-K131 PolarHBondContact O-N 2.9Å; S129-K131 VanDerWaalsContact O-N 3.17Å; S129-K131 PolarHBondContact OG-N 3.04Å; K131-C133 VanDerWaalsContact C-N 3.27Å; K131-C133 PolarHBondContact O-N 2.92Å; K131-L134 WeakPolarHBondContact O-CB 3.36Å; K131-L134 PolarHBondContact O-N 3.39Å
132A82.4Confident84.9Confident26 Ų26113.4 Ų113.422%0.21555%0.553CS.*G310 helixtrans-71.4-25.7-179.900000112F127 S129 K130 L134 L135F127-A132 HydrophobicContact CB-CB 4.17Å; F127-A132 HydrophobicContact CD1-CB 3.7Å; F127-A132 HydrophobicContact CE1-CB 4.49Å; F127-A132 HydrophobicContact CG-CB 4.21Å; S129-A132 WeakPolarHBondContact O-CB 3.48Å; S129-A132 PolarHBondContact O-N 3.36Å; K130-A132 VanDerWaalsContact C-N 3.34Å; A132-L134 PolarHBondContact O-N 3.33Å; A132-L135 WeakPolarHBondContact O-CB 3.36Å; A132-L135 PolarHBondContact O-N 3.03Å
133C82.2Confident84.7Confident74 Ų74106.8 Ų106.850%0.553%0.527SS..G310 helixtrans-63.2-16.9173.3-55.40000113.7F127 S129 K130 K131 L135F127-C133 VanDerWaalsContact CB-SG 3.59Å; F127-C133 HydrophobicContact CD2-CB 4.27Å; S129-C133 PolarHBondContact O-N 2.95Å; K130-C133 WeakPolarHBondContact O-CB 3.22Å; K130-C133 PolarHBondContact O-N 2.82Å; K131-C133 VanDerWaalsContact C-N 3.27Å; K131-C133 PolarHBondContact O-N 2.92Å; C133-L135 VanDerWaalsContact C-N 3.31Å
134L87.4Confident84.4Confident142 Ų142105 Ų10574%0.74351%0.512SS*.G310 helixtrans-86.4-0.4179.4-56.3177.1000113.1K131 A132K131-L134 WeakPolarHBondContact O-CB 3.36Å; K131-L134 PolarHBondContact O-N 3.39Å; A132-L134 PolarHBondContact O-N 3.33Å
135L88.8Confident84.1Confident103 Ų10397.6 Ų97.654%0.53949%0.488SS..  trans-87.2121.6-178.2-63.3175.2000110.6A132 C133 F137A132-L135 WeakPolarHBondContact O-CB 3.36Å; A132-L135 PolarHBondContact O-N 3.03Å; C133-L135 VanDerWaalsContact C-N 3.31Å; L135-F137 HydrophobicContact CB-CD2 4.46Å; L135-F137 HydrophobicContact CB-CE2 3.78Å; L135-F137 HydrophobicContact CB-CZ 3.91Å; L135-F137 HydrophobicContact CD1-CZ 4.01Å
136E87.4Confident84.1Confident171 Ų17199.8 Ų99.880%0.79949%0.493SS*.  trans-93.8111.8175.4-67.5178.6-178.100110.3
137F88.3Confident83.9Confident69 Ų6996.8 Ų96.830%0.30348%0.475SS..  trans-94.7-7.4-179.3-65.2-75.7000113.7A123 F127 L135 P139 I140 L141A123-F137 HydrophobicContact CB-CB 4.48Å; A123-F137 HydrophobicContact CB-CD2 3.64Å; A123-F137 HydrophobicContact CB-CE2 4.26Å; A123-F137 HydrophobicContact CB-CG 4.34Å; F127-F137 HydrophobicContact CE1-CE2 4.08Å; F127-F137 HydrophobicContact CZ-CE2 4.22Å; L135-F137 HydrophobicContact CB-CD2 4.46Å; L135-F137 HydrophobicContact CB-CE2 3.78Å; L135-F137 HydrophobicContact CB-CZ 3.91Å; L135-F137 HydrophobicContact CD1-CZ 4.01Å; F137-P139 VanDerWaalsContact C-CD 3.45Å; F137-P139 VanDerWaalsContact C-N 3.31Å; F137-I140 HydrophobicContact CB-CD1 4.49Å; F137-I140 HydrophobicContact CB-CG1 4.11Å; F137-I140 HydrophobicContact CD1-CD1 3.64Å; F137-I140 HydrophobicContact CD1-CG1 4.11Å; F137-I140 HydrophobicContact CE1-CD1 4.43Å; F137-I140 WeakPolarHBondContact O-CG1 3.37Å; F137-I140 PolarHBondContact O-N 3.28Å; F137-L141 HydrophobicContact CB-CD1 3.9Å; F137-L141 HydrophobicContact CB-CG 4.15Å; F137-L141 WeakPolarHBondContact O-CG 3.28Å; F137-L141 PolarHBondContact O-N 2.91Å
138E86.6Confident84Confident140 Ų14096.7 Ų96.765%0.65447%0.473SS*.Hα-helixtrans-51.6-44.9-179.7-175.9-173.1174.200112.7I140 L141 R142E138-I140 PolarHBondContact O-N 3.25Å; E138-L141 PolarHBondContact O-N 2.83Å; E138-L141 VanDerWaalsContact O-N 3.15Å; E138-R142 PolarHBondContact O-N 3.05Å
139P86.3Confident84Confident83 Ų8391.3 Ų91.354%0.53946%0.46SS..Hα-helixtrans-62.6-17.1178.5-23.435.2000114.3Y3 F137Y3-P139 WeakPolarHBondContact CD1-O 3.11Å; Y3-P139 WeakPolarHBondContact CE1-O 3.38Å; F137-P139 VanDerWaalsContact C-CD 3.45Å; F137-P139 VanDerWaalsContact C-N 3.31Å
140I87.2Confident83.9Confident65 Ų6596.4 Ų96.433%0.33348%0.482SS..Hα-helixtrans-106.4-11177.270.3158.6000114Y3 L38 F137 E138Y3-I140 HydrophobicContact CD2-CB 4.12Å; Y3-I140 HydrophobicContact CD2-CG2 4.4Å; Y3-I140 VanDerWaalsContact CE2-CA 3.47Å; Y3-I140 HydrophobicContact CE2-CB 4.07Å; Y3-I140 WeakPolarHBondContact CE2-O 3.23Å; Y3-I140 HydrophobicContact CG-CB 4.48Å; Y3-I140 HydrophobicContact CG-CG2 4.34Å; Y3-I140 PolarHBondContact OH-O 2.82Å; L38-I140 WeakPolarHBondContact CD2-O 3.31Å; F137-I140 HydrophobicContact CB-CD1 4.49Å; F137-I140 HydrophobicContact CB-CG1 4.11Å; F137-I140 HydrophobicContact CD1-CD1 3.64Å; F137-I140 HydrophobicContact CD1-CG1 4.11Å; F137-I140 HydrophobicContact CE1-CD1 4.43Å; F137-I140 WeakPolarHBondContact O-CG1 3.37Å; F137-I140 PolarHBondContact O-N 3.28Å; E138-I140 PolarHBondContact O-N 3.25Å
141L89.7Confident83.5Confident39 Ų3989.7 Ų89.720%0.20446%0.457CS..Hα-helixtrans-103.6-3.2-179-64.4-176.1000113Y3 T118 L121 F137 E138 Y143Y3-L141 PolarHBondContact OH-N 3.39Å; T118-L141 WeakPolarHBondContact CB-O 3.33Å; T118-L141 PolarHBondContact OG1-O 3.2Å; L121-L141 HydrophobicContact CB-CD2 3.53Å; L121-L141 HydrophobicContact CD1-CD2 4.26Å; F137-L141 HydrophobicContact CB-CD1 3.9Å; F137-L141 HydrophobicContact CB-CG 4.15Å; F137-L141 WeakPolarHBondContact O-CG 3.28Å; F137-L141 PolarHBondContact O-N 2.91Å; E138-L141 PolarHBondContact O-N 2.83Å; E138-L141 VanDerWaalsContact O-N 3.15Å; L141-Y143 PolarHBondContact O-N 2.86Å; L141-Y143 VanDerWaalsContact O-N 3.14Å
142R86Confident82.8Confident135 Ų13584.5 Ų84.551%0.50944%0.438SS..  trans-64.1114.3-176.5-160.7162.4-156.2-169.2-3.3111.9Y3 H7 T118 E138 V144 Q147Y3-R142 PolarHBondContact OH-N 3.12Å; Y3-R142 VanDerWaalsContact OH-N 3.1Å; Y3-R142 PolarHBondContact OH-O 3.22Å; Y3-R142 VanDerWaalsContact OH-O 3.06Å; H7-R142 PolarHBondContact CE1-O 2.9Å; H7-R142 VanDerWaalsContact CE1-O 3.24Å; H7-R142 PolarHBondContact NE2-O 3.37Å; T118-R142 PolarHBondContact OG1-O 3.24Å; E138-R142 PolarHBondContact O-N 3.05Å; R142-V144 PolarHBondContact O-N 3.14Å; R142-Q147 VanDerWaalsContact CD-NE2 3.25Å
143Y85.8Confident82.3Confident49 Ų4984.6 Ų84.619%0.19243%0.434CS..  trans-76112.2-177.3-174.6-140.3000111.6G116 R117 T118 D119 L141 S145 L146 I153G116-Y143 WeakPolarHBondContact O-CD2 3.1Å; G116-Y143 WeakPolarHBondContact O-CE2 3.38Å; R117-Y143 WeakPolarHBondContact CD-OH 3.12Å; T118-Y143 WeakPolarHBondContact OG1-CA 3.44Å; T118-Y143 PolarHBondContact OG1-N 3.31Å; D119-Y143 HydrophobicContact CB-CD1 4Å; D119-Y143 HydrophobicContact CB-CD2 4.49Å; D119-Y143 HydrophobicContact CB-CE1 4.42Å; D119-Y143 HydrophobicContact CB-CG 4.06Å; L141-Y143 PolarHBondContact O-N 2.86Å; L141-Y143 VanDerWaalsContact O-N 3.14Å; Y143-S145 VanDerWaalsContact CZ-CB 3.44Å; Y143-S145 PolarHBondContact O-N 2.84Å; Y143-S145 WeakPolarHBondContact OH-CB 3.28Å; Y143-S145 PolarHBondContact OH-OG 2.95Å; Y143-L146 HydrophobicContact CD1-CD1 3.95Å; Y143-L146 HydrophobicContact CD1-CG 3.71Å; Y143-L146 HydrophobicContact CE1-CG 4.38Å; Y143-L146 PolarHBondContact O-N 2.94Å; Y143-I153 HydrophobicContact CE2-CD1 4.19Å
144V79.7Confident81.8Confident3 Ų387.3 Ų87.32%0.01843%0.434CS..Hα-helixtrans-65.5-36.5-170.9-179.70000112.2H7 A10 R142 L146 Q147 Y148H7-V144 WeakPolarHBondContact CE1-CG2 3.39Å; H7-V144 WeakPolarHBondContact NE2-CG2 3.48Å; A10-V144 HydrophobicContact CB-CG1 3.16Å; R142-V144 PolarHBondContact O-N 3.14Å; V144-L146 PolarHBondContact O-N 3.07Å; V144-Q147 PolarHBondContact O-N 3.04Å; V144-Y148 HydrophobicContact CG1-CD2 3.85Å; V144-Y148 PolarHBondContact O-N 2.6Å
145S80.3Confident80.8Confident25 Ų2582.3 Ų82.318%0.17541%0.413CS..Hα-helixtrans-64.6-20.5-179-55.40000113.4Y143 P149 I153Y143-S145 VanDerWaalsContact CZ-CB 3.44Å; Y143-S145 PolarHBondContact O-N 2.84Å; Y143-S145 WeakPolarHBondContact OH-CB 3.28Å; Y143-S145 PolarHBondContact OH-OG 2.95Å; S145-P149 WeakPolarHBondContact O-CA 3.38Å; S145-I153 WeakPolarHBondContact OG-CG2 3.5Å
146L81.4Confident79.6Confident142 Ų14281.5 Ų81.574%0.74342%0.416SS*.Hα-helixtrans-73.8-28.3170.8-69.6171.7000112.6Y143 V144Y143-L146 HydrophobicContact CD1-CD1 3.95Å; Y143-L146 HydrophobicContact CD1-CG 3.71Å; Y143-L146 HydrophobicContact CE1-CG 4.38Å; Y143-L146 PolarHBondContact O-N 2.94Å; V144-L146 PolarHBondContact O-N 3.07Å
147Q78.1Confident78.6Confident70 Ų7076.8 Ų76.833%0.32740%0.399SS..Hα-helixtrans-87.6-34178.4-64.9-174.4-4.300112.7R142 V144R142-Q147 VanDerWaalsContact CD-NE2 3.25Å; V144-Q147 PolarHBondContact O-N 3.04Å
148Y79.7Confident77.7Confident67 Ų6777.5 Ų77.526%0.26341%0.405SS..  trans-132.371.1-177.4-50.8-80.4000109.6A10 R11 V144 D150 V151A10-Y148 HydrophobicContact CB-CD2 3.69Å; A10-Y148 HydrophobicContact CB-CE2 4.24Å; A10-Y148 HydrophobicContact CB-CG 4.19Å; R11-Y148 HydrophobicContact CB-CE1 4.47Å; R11-Y148 HydrophobicContact CB-CE2 4.32Å; R11-Y148 WeakPolarHBondContact CB-OH 3.42Å; R11-Y148 WeakPolarHBondContact CG-OH 3.45Å; V144-Y148 HydrophobicContact CG1-CD2 3.85Å; V144-Y148 PolarHBondContact O-N 2.6Å; Y148-D150 PolarHBondContact O-N 2.88Å; Y148-V151 PolarHBondContact O-N 3.46Å; Y148-V151 VanDerWaalsContact O-N 3.11Å
149P78.1Confident77.1Confident96 Ų9681.9 Ų81.962%0.62342%0.415SS*.THydrogen-bonded Turntrans-62.2-27.4-174.424.2-34.1000113.4S145 V151S145-P149 WeakPolarHBondContact O-CA 3.38Å; P149-V151 VanDerWaalsContact C-N 3.26Å; P149-V151 PolarHBondContact O-N 2.55Å
150D78.6Confident76.4Confident163 Ų16382.3 Ų82.387%0.87241%0.41SS*.THydrogen-bonded Turntrans-83.62.1-180-55.1-45.2000113.7Y148Y148-D150 PolarHBondContact O-N 2.88Å
151V72.6Confident75.9Confident49 Ų4985.1 Ų85.130%0.29743%0.426SS..SBendtrans-104.7117.7-179.7-178.50000109.9A10 Y148 P149 I153A10-V151 HydrophobicContact CB-CG1 4.34Å; Y148-V151 PolarHBondContact O-N 3.46Å; Y148-V151 VanDerWaalsContact O-N 3.11Å; P149-V151 VanDerWaalsContact C-N 3.26Å; P149-V151 PolarHBondContact O-N 2.55Å; V151-I153 PolarHBondContact O-N 2.91Å
152D73.1Confident75.3Confident64 Ų6489.1 Ų89.134%0.34244%0.442SS..  trans-66.1120.8172-162.7-21.7000109.9R154D152-R154 VanDerWaalsContact C-N 3.31Å; D152-R154 VanDerWaalsContact OD1-CB 3.22Å; D152-R154 WeakPolarHBondContact OD1-CB 3.49Å; D152-R154 VanDerWaalsContact OD1-CG 3.31Å; D152-R154 WeakPolarHBondContact OD1-CG 3.33Å; D152-R154 IonicContact OD1-CZ 2.68Å; D152-R154 PolarHBondContact OD1-N 2.89Å; D152-R154 IonicContact OD1-NE 3.73Å; D152-R154 PolarHBondContact OD1-NE 3.08Å; D152-R154 IonicContact OD2-CZ 2.79Å; D152-R154 VanDerWaalsContact OD2-CZ 3.31Å; D152-R154 IonicContact OD2-NE 2.63Å; D152-R154 PolarHBondContact OD2-NE 2.69Å; D152-R154 VanDerWaalsContact OD2-NE 3.1Å; D152-R154 IonicContact OD2-NH2 3.87Å; D152-R154 PolarHBondContact OD2-NH2 2.78Å
153I71.1Confident75.1Confident27 Ų2786 Ų8614%0.13844%0.435CS..  trans-83.1-10.5179.260.5171000112.3V115 Y143 S145 V151V115-I153 WeakPolarHBondContact O-CD1 3.45Å; Y143-I153 HydrophobicContact CE2-CD1 4.19Å; S145-I153 WeakPolarHBondContact OG-CG2 3.5Å; V151-I153 PolarHBondContact O-N 2.91Å
154R70.8Confident75Confident132 Ų13286.9 Ų86.950%0.49844%0.443SS..SBendtrans-70.6143.8178.6-63.2175.8-64.3174.62.1110.4D152 V157D152-R154 VanDerWaalsContact C-N 3.31Å; D152-R154 VanDerWaalsContact OD1-CB 3.22Å; D152-R154 WeakPolarHBondContact OD1-CB 3.49Å; D152-R154 VanDerWaalsContact OD1-CG 3.31Å; D152-R154 WeakPolarHBondContact OD1-CG 3.33Å; D152-R154 IonicContact OD1-CZ 2.68Å; D152-R154 PolarHBondContact OD1-N 2.89Å; D152-R154 IonicContact OD1-NE 3.73Å; D152-R154 PolarHBondContact OD1-NE 3.08Å; D152-R154 IonicContact OD2-CZ 2.79Å; D152-R154 VanDerWaalsContact OD2-CZ 3.31Å; D152-R154 IonicContact OD2-NE 2.63Å; D152-R154 PolarHBondContact OD2-NE 2.69Å; D152-R154 VanDerWaalsContact OD2-NE 3.1Å; D152-R154 IonicContact OD2-NH2 3.87Å; D152-R154 PolarHBondContact OD2-NH2 2.78Å; R154-V157 HydrophobicContact CB-CG2 4.11Å
155A66.5Low75.2Confident37 Ų3793.1 Ų93.131%0.30648%0.475SS..THydrogen-bonded Turntrans-65.6151.1177.200000113.3D41 V157D41-A155 HydrophobicContact CB-CB 3.6Å; D41-A155 WeakPolarHBondContact OD2-CB 3.38Å; A155-V157 VanDerWaalsContact C-N 3.29Å; A155-V157 PolarHBondContact O-N 3.12Å; A155-V157 VanDerWaalsContact O-N 3.1Å
156S63.8Low75.5Confident85 Ų8599.7 Ų99.759%0.59450%0.501SS*.THydrogen-bonded Turntrans6021.1161.8-57.20000118I158S156-I158 PolarHBondContact O-N 2.99Å
157V67.8Low75.9Confident73 Ų7397.3 Ų97.344%0.44248%0.482SS..SBendtrans-64-26.9176.8-175.20000114.9L16 R154 A155L16-V157 HydrophobicContact CD1-CB 3.55Å; L16-V157 HydrophobicContact CD1-CG1 4.04Å; L16-V157 HydrophobicContact CD2-CB 3.64Å; L16-V157 HydrophobicContact CD2-CG2 4.26Å; L16-V157 HydrophobicContact CG-CB 4.14Å; R154-V157 HydrophobicContact CB-CG2 4.11Å; A155-V157 VanDerWaalsContact C-N 3.29Å; A155-V157 PolarHBondContact O-N 3.12Å; A155-V157 VanDerWaalsContact O-N 3.1Å
158I69.6Low76.6Confident83 Ų8395.1 Ų95.143%0.42647%0.472SS..SBendtrans-131.6139.2172.8-62.5158.3000108.1K15 L16 S156K15-I158 HydrophobicContact CB-CD1 4.03Å; L16-I158 HydrophobicContact CB-CB 3.45Å; L16-I158 VanDerWaalsContact CB-CB 3.45Å; L16-I158 HydrophobicContact CB-CD1 4.17Å; L16-I158 HydrophobicContact CB-CG1 4.16Å; L16-I158 HydrophobicContact CB-CG2 4.35Å; L16-I158 HydrophobicContact CD1-CB 3.67Å; L16-I158 HydrophobicContact CD1-CD1 3.37Å; L16-I158 HydrophobicContact CD1-CG1 3.42Å; L16-I158 VanDerWaalsContact CD1-CG1 3.42Å; L16-I158 VanDerWaalsContact CD2-N 3.29Å; L16-I158 HydrophobicContact CG-CB 4.04Å; L16-I158 HydrophobicContact CG-CD1 4.38Å; L16-I158 HydrophobicContact CG-CG1 4.34Å; S156-I158 PolarHBondContact O-N 2.99Å
159R72.8Confident77.3Confident233 Ų23392.1 Ų92.188%0.87946%0.461SS*.PPolyproline II helixtrans-89.3144.4176.8-64.7-176.8177179.9-1.5110.5
160Q71.6Confident77.9Confident91 Ų9190.9 Ų90.943%0.42544%0.444SS..PPolyproline II helixtrans-70.5130.6174-176.5158.224.300111.2L17 F162L17-Q160 HydrophobicContact CD2-CB 3.47Å; L17-Q160 VanDerWaalsContact CD2-CB 3.47Å; L17-Q160 HydrophobicContact CD2-CG 3.58Å; Q160-F162 HydrophobicContact CB-CE2 4.18Å; Q160-F162 HydrophobicContact CB-CZ 4.21Å; Q160-F162 HydrophobicContact CG-CD1 4.16Å; Q160-F162 HydrophobicContact CG-CD2 4.22Å; Q160-F162 HydrophobicContact CG-CE1 3.75Å; Q160-F162 HydrophobicContact CG-CE2 3.8Å; Q160-F162 HydrophobicContact CG-CG 4.39Å; Q160-F162 HydrophobicContact CG-CZ 3.56Å
161N77.1Confident78.7Confident124 Ų12490.5 Ų90.566%0.66343%0.43SS*.PPolyproline II helixtrans-103.8122.7167.2178.914.5000109.5D163N161-D163 PolarHBondContact ND2-OD1 3.16Å; N161-D163 PolarHBondContact OD1-N 3.2Å
162F77.2Confident79.7Confident123 Ų12388.2 Ų88.254%0.53942%0.417SS..  trans-95.33.5-179.3-63.8-80.8000113.6Q160 L164Q160-F162 HydrophobicContact CB-CE2 4.18Å; Q160-F162 HydrophobicContact CB-CZ 4.21Å; Q160-F162 HydrophobicContact CG-CD1 4.16Å; Q160-F162 HydrophobicContact CG-CD2 4.22Å; Q160-F162 HydrophobicContact CG-CE1 3.75Å; Q160-F162 HydrophobicContact CG-CE2 3.8Å; Q160-F162 HydrophobicContact CG-CG 4.39Å; Q160-F162 HydrophobicContact CG-CZ 3.56Å; F162-L164 HydrophobicContact CB-CD2 3.69Å; F162-L164 HydrophobicContact CB-CG 3.88Å; F162-L164 PolarHBondContact O-N 3.06Å; F162-L164 VanDerWaalsContact O-N 3.14Å
163D82.1Confident80.8Confident70 Ų7086 Ų8637%0.37441%0.405SS..  trans50.436.8-177.1-78.5-8.4000113.1N161 L165 K166N161-D163 PolarHBondContact ND2-OD1 3.16Å; N161-D163 PolarHBondContact OD1-N 3.2Å; D163-L165 PolarHBondContact O-N 3.01Å; D163-L165 VanDerWaalsContact O-N 3.09Å; D163-K166 HydrophobicContact CB-CD 4.14Å; D163-K166 PolarHBondContact O-N 3.17Å; D163-K166 IonicContact OD2-NZ 3.64Å; D163-K166 PolarHBondContact OD2-NZ 3.28Å
164L82.6Confident81.8Confident68 Ų6892.7 Ų92.736%0.35643%0.433SS..G310 helixtrans-56.1-32.7-174.6-59.9-179.9000112.5F162 K166 R167 Y170F162-L164 HydrophobicContact CB-CD2 3.69Å; F162-L164 HydrophobicContact CB-CG 3.88Å; F162-L164 PolarHBondContact O-N 3.06Å; F162-L164 VanDerWaalsContact O-N 3.14Å; L164-K166 PolarHBondContact O-N 3.21Å; L164-R167 VanDerWaalsContact CD2-NH2 3.28Å; L164-R167 WeakPolarHBondContact O-CB 3.32Å; L164-R167 WeakPolarHBondContact O-CG 3.12Å; L164-R167 PolarHBondContact O-N 3.45Å; L164-Y170 HydrophobicContact CB-CE2 4.18Å; L164-Y170 WeakPolarHBondContact O-CD2 3.37Å; L164-Y170 WeakPolarHBondContact O-CE2 3.15Å
165L84.3Confident83Confident133 Ų13389.6 Ų89.670%0.69643%0.426SS*.G310 helixtrans-63.5-18.5-179.6-62174.3000114.1D163 R167 Y170D163-L165 PolarHBondContact O-N 3.01Å; D163-L165 VanDerWaalsContact O-N 3.09Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-Y170 HydrophobicContact CD2-CD1 4.02Å; L165-Y170 HydrophobicContact CD2-CE1 3.58Å; L165-Y170 HydrophobicContact CD2-CE2 4.27Å
166K86.1Confident84.3Confident163 Ų16387.8 Ų87.871%0.70941%0.412SS*.G310 helixtrans-85.2-5.5179.3-63.7-179.2-174.8160.30113.4D163 L164D163-K166 HydrophobicContact CB-CD 4.14Å; D163-K166 PolarHBondContact O-N 3.17Å; D163-K166 IonicContact OD2-NZ 3.64Å; D163-K166 PolarHBondContact OD2-NZ 3.28Å; L164-K166 PolarHBondContact O-N 3.21Å
167R89.7Confident85.7Confident92 Ų9288.3 Ų88.335%0.34741%0.408SS..SBendtrans-76.8148.9-176.8-64.1-179-179.4-178.2-0.9111.6L164 L165 D169 Y170L164-R167 VanDerWaalsContact CD2-NH2 3.28Å; L164-R167 WeakPolarHBondContact O-CB 3.32Å; L164-R167 WeakPolarHBondContact O-CG 3.12Å; L164-R167 PolarHBondContact O-N 3.45Å; L165-R167 VanDerWaalsContact C-N 3.34Å; R167-D169 PolarHBondContact O-N 3.08Å; R167-Y170 PolarHBondContact O-N 2.96Å
168L93.4Very high86.9Confident25 Ų2586.7 Ų86.713%0.13140%0.4CS..Hα-helixtrans-55.5-33.8178.1-174.361.4000112.9Y170 R171 V172 Y191 F200L168-Y170 PolarHBondContact O-N 3.18Å; L168-Y170 VanDerWaalsContact O-N 3.14Å; L168-R171 HydrophobicContact CD1-CB 4.41Å; L168-R171 VanDerWaalsContact O-CB 3.31Å; L168-R171 WeakPolarHBondContact O-CB 3.35Å; L168-R171 PolarHBondContact O-N 3.02Å; L168-V172 PolarHBondContact O-N 2.96Å; L168-Y191 HydrophobicContact CD1-CD1 4.25Å; L168-Y191 HydrophobicContact CD1-CG 4.49Å; L168-F200 HydrophobicContact CB-CD2 4Å; L168-F200 HydrophobicContact CB-CE2 4.1Å; L168-F200 HydrophobicContact CD2-CD2 3.92Å; L168-F200 HydrophobicContact CD2-CE2 3.73Å; L168-F200 HydrophobicContact CG-CD2 4.05Å; L168-F200 HydrophobicContact CG-CE2 3.71Å
169D93.7Very high88Confident3 Ų382.8 Ų82.82%0.01638%0.38CS..Hα-helixtrans-51.6-36.2174.8-66.8-134.8000113.7R167 R171 V172 L173 F200 G201 A202 T203 L204R167-D169 PolarHBondContact O-N 3.08Å; D169-R171 VanDerWaalsContact C-N 3.29Å; D169-R171 PolarHBondContact O-N 3.5Å; D169-V172 WeakPolarHBondContact O-CB 3.46Å; D169-V172 PolarHBondContact O-N 3.27Å; D169-L173 WeakPolarHBondContact O-CG 3.49Å; D169-L173 PolarHBondContact O-N 3.22Å; D169-F200 WeakPolarHBondContact OD2-CA 3.45Å; D169-F200 VanDerWaalsContact OD2-CD2 3.32Å; D169-F200 WeakPolarHBondContact OD2-CD2 3.27Å; D169-G201 WeakPolarHBondContact OD1-CA 3.44Å; D169-G201 PolarHBondContact OD1-N 3.05Å; D169-G201 PolarHBondContact OD2-N 3.06Å; D169-A202 PolarHBondContact OD1-N 3.06Å; D169-T203 HydrophobicContact CB-CG2 4.43Å; D169-T203 WeakPolarHBondContact OD1-CB 3.44Å; D169-T203 PolarHBondContact OD1-N 3.44Å; D169-L204 PolarHBondContact OD1-N 3.15Å
170Y92.5Very high88.9Confident70 Ų7072.4 Ų72.428%0.27534%0.341SS..Hα-helixtrans-70.5-27.7-179.9-88.3-86.1000112.9L164 L165 R167 L168 L173 K174 T203L164-Y170 HydrophobicContact CB-CE2 4.18Å; L164-Y170 WeakPolarHBondContact O-CD2 3.37Å; L164-Y170 WeakPolarHBondContact O-CE2 3.15Å; L165-Y170 HydrophobicContact CD2-CD1 4.02Å; L165-Y170 HydrophobicContact CD2-CE1 3.58Å; L165-Y170 HydrophobicContact CD2-CE2 4.27Å; R167-Y170 PolarHBondContact O-N 2.96Å; L168-Y170 PolarHBondContact O-N 3.18Å; L168-Y170 VanDerWaalsContact O-N 3.14Å; Y170-L173 HydrophobicContact CD1-CD1 4.15Å; Y170-L173 HydrophobicContact CE1-CD1 4.33Å; Y170-L173 HydrophobicContact CG-CD1 4.44Å; Y170-K174 PolarHBondContact O-N 2.68Å; Y170-T203 HydrophobicContact CD2-CG2 4.39Å; Y170-T203 HydrophobicContact CE2-CG2 3.81Å
171R93.7Very high89.9Confident155 Ų15570.2 Ų70.259%0.58534%0.336SS*.Hα-helixtrans-67.7-45.2170.2-172.3177.2179.4176.6-2.2110.2L168 D169 L173 K174 D175 Y191L168-R171 HydrophobicContact CD1-CB 4.41Å; L168-R171 VanDerWaalsContact O-CB 3.31Å; L168-R171 WeakPolarHBondContact O-CB 3.35Å; L168-R171 PolarHBondContact O-N 3.02Å; D169-R171 VanDerWaalsContact C-N 3.29Å; D169-R171 PolarHBondContact O-N 3.5Å; R171-L173 PolarHBondContact O-N 3.02Å; R171-K174 PolarHBondContact O-N 3.27Å; R171-D175 VanDerWaalsContact O-CG 3.26Å; R171-D175 PolarHBondContact O-N 3.17Å; R171-Y191 HydrophobicContact CG-CE1 3.98Å
172V95.2Very high90.5Very high1 Ų167.1 Ų67.11%0.00633%0.328CS..Hα-helixtrans-59.4-46.3175.2-178.30000111.4L168 D169 K174 D175 A176 L189 Y191 F200 L204 I223L168-V172 PolarHBondContact O-N 2.96Å; D169-V172 WeakPolarHBondContact O-CB 3.46Å; D169-V172 PolarHBondContact O-N 3.27Å; V172-K174 VanDerWaalsContact C-N 3.27Å; V172-K174 PolarHBondContact O-N 2.8Å; V172-D175 PolarHBondContact O-N 2.93Å; V172-A176 WeakPolarHBondContact O-CB 3.5Å; V172-A176 PolarHBondContact O-N 3.1Å; V172-L189 HydrophobicContact CG1-CD1 4.1Å; V172-Y191 HydrophobicContact CG2-CD2 4.24Å; V172-Y191 HydrophobicContact CG2-CE2 3.68Å; V172-F200 HydrophobicContact CG2-CE2 3.72Å; V172-F200 HydrophobicContact CG2-CZ 3.77Å; V172-L204 HydrophobicContact CG1-CD1 4.44Å; V172-L204 HydrophobicContact CG1-CD2 4.14Å; V172-I223 HydrophobicContact CG1-CD1 3.61Å
173L94.3Very high91.1Very high19 Ų1968.5 Ų68.510%0.09933%0.334CS..Hα-helixtrans-57.7-41178-74.5169.4000112.1D169 Y170 R171 D177 L180 T203 L204 H207D169-L173 WeakPolarHBondContact O-CG 3.49Å; D169-L173 PolarHBondContact O-N 3.22Å; Y170-L173 HydrophobicContact CD1-CD1 4.15Å; Y170-L173 HydrophobicContact CE1-CD1 4.33Å; Y170-L173 HydrophobicContact CG-CD1 4.44Å; R171-L173 PolarHBondContact O-N 3.02Å; L173-D177 PolarHBondContact O-N 3.4Å; L173-L180 HydrophobicContact CD2-CD1 3.63Å; L173-T203 HydrophobicContact CD1-CG2 4.23Å; L173-L204 HydrophobicContact CD2-CD1 3.79Å; L173-H207 WeakPolarHBondContact CD1-CD2 3.22Å; L173-H207 HydrophobicContact CD2-CB 3.83Å
174K93.6Very high91.6Very high166 Ų16667.8 Ų67.872%0.72233%0.332SS*.Hα-helixtrans-67.2-45.8177.2-175.7-177.7176.8-175.10111.6Y170 R171 V172 A176 D177Y170-K174 PolarHBondContact O-N 2.68Å; R171-K174 PolarHBondContact O-N 3.27Å; V172-K174 VanDerWaalsContact C-N 3.27Å; V172-K174 PolarHBondContact O-N 2.8Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-D177 PolarHBondContact O-N 3.17Å
175D95.1Very high92.1Very high67 Ų6770.9 Ų70.936%0.35835%0.349SS..Hα-helixtrans-71.2-31.7-177.6-63.4-15.9000111.1R171 V172 L189 Y191R171-D175 VanDerWaalsContact O-CG 3.26Å; R171-D175 PolarHBondContact O-N 3.17Å; V172-D175 PolarHBondContact O-N 2.93Å; D175-L189 HydrophobicContact CB-CD1 4.18Å; D175-L189 HydrophobicContact CB-CD2 4.17Å; D175-Y191 WeakPolarHBondContact CB-OH 3.43Å; D175-Y191 PolarHBondContact OD2-OH 3.38Å
176A93.8Very high92.6Very high0 Ų068.1 Ų68.10%034%0.341CS..THydrogen-bonded Turntrans-89.86.9178.500000115.2V172 K174 S178 L179 L180 M187 L189 L221V172-A176 WeakPolarHBondContact O-CB 3.5Å; V172-A176 PolarHBondContact O-N 3.1Å; K174-A176 VanDerWaalsContact C-N 3.33Å; A176-S178 VanDerWaalsContact C-N 3.25Å; A176-S178 PolarHBondContact O-N 3.44Å; A176-S178 VanDerWaalsContact O-N 3.16Å; A176-L179 PolarHBondContact O-N 3.06Å; A176-L180 HydrophobicContact CB-CD1 4.23Å; A176-L180 HydrophobicContact CB-CG 4.26Å; A176-L180 WeakPolarHBondContact O-CG 3.2Å; A176-L180 PolarHBondContact O-N 3.1Å; A176-M187 VanDerWaalsContact CA-SD 3.58Å; A176-M187 HydrophobicContact CB-SD 4.05Å; A176-L189 HydrophobicContact CB-CD1 4.16Å; A176-L221 HydrophobicContact CB-CD1 4.44Å; A176-L221 HydrophobicContact CB-CD2 4.24Å
177D93.5Very high93.1Very high96 Ų9662.2 Ų62.251%0.51332%0.316SS..Hα-helixtrans-53.3-40-175.6179.376.4000113.3L173 K174 L179 L180 S181L173-D177 PolarHBondContact O-N 3.4Å; K174-D177 PolarHBondContact O-N 3.17Å; D177-L179 VanDerWaalsContact C-N 3.35Å; D177-L179 PolarHBondContact O-N 3.05Å; D177-L180 PolarHBondContact O-N 2.89Å; D177-S181 VanDerWaalsContact O-CB 3.29Å; D177-S181 WeakPolarHBondContact O-CB 3.29Å; D177-S181 PolarHBondContact O-N 2.78Å; D177-S181 PolarHBondContact O-OG 3.46Å
178S93.1Very high93.4Very high39 Ų3962.6 Ų62.627%0.27332%0.321SS..Hα-helixtrans-65.4-35.7178.456.20000113A176 S181 A182 K183 V184 M187A176-S178 VanDerWaalsContact C-N 3.25Å; A176-S178 PolarHBondContact O-N 3.44Å; A176-S178 VanDerWaalsContact O-N 3.16Å; S178-S181 PolarHBondContact O-OG 2.78Å; S178-A182 PolarHBondContact O-N 2.75Å; S178-K183 WeakPolarHBondContact O-CA 3.18Å; S178-K183 WeakPolarHBondContact O-CB 3.47Å; S178-K183 PolarHBondContact O-N 2.83Å; S178-V184 PolarHBondContact O-N 2.87Å; S178-M187 WeakPolarHBondContact OG-CE 3.4Å
179L93.1Very high93.6Very high1 Ų162.5 Ų62.51%0.00532%0.321CS..Hα-helixtrans-76.3-43.2175.5179.162.9000110.8A176 D177 S181 A182 V184 M187 L217 L221A176-L179 PolarHBondContact O-N 3.06Å; D177-L179 VanDerWaalsContact C-N 3.35Å; D177-L179 PolarHBondContact O-N 3.05Å; L179-S181 PolarHBondContact O-N 3.34Å; L179-A182 PolarHBondContact O-N 3.12Å; L179-V184 HydrophobicContact CB-CG2 3.81Å; L179-V184 HydrophobicContact CD1-CG2 4.27Å; L179-V184 WeakPolarHBondContact CD1-O 3.41Å; L179-M187 HydrophobicContact CB-CB 4.35Å; L179-M187 HydrophobicContact CB-CE 4.19Å; L179-M187 HydrophobicContact CD2-CB 3.7Å; L179-L217 HydrophobicContact CD2-CD2 3.83Å; L179-L217 HydrophobicContact CG-CD1 4.5Å; L179-L217 HydrophobicContact CG-CD2 4.03Å; L179-L221 HydrophobicContact CD2-CB 3.58Å; L179-L221 HydrophobicContact CD2-CD1 3.92Å; L179-L221 HydrophobicContact CD2-CG 4.2Å
180L91.8Very high93.8Very high14 Ų1468.4 Ų68.47%0.07335%0.349CS..Hα-helixtrans-64.2-27.3177.4-65.3173.3000112.3L173 A176 D177 L204 I208 Q211 Y212 L217L173-L180 HydrophobicContact CD2-CD1 3.63Å; A176-L180 HydrophobicContact CB-CD1 4.23Å; A176-L180 HydrophobicContact CB-CG 4.26Å; A176-L180 WeakPolarHBondContact O-CG 3.2Å; A176-L180 PolarHBondContact O-N 3.1Å; D177-L180 PolarHBondContact O-N 2.89Å; L180-L204 HydrophobicContact CD1-CD1 4.48Å; L180-L204 HydrophobicContact CD2-CD1 4.27Å; L180-I208 HydrophobicContact CD2-CD1 4.24Å; L180-I208 HydrophobicContact CD2-CG1 3.67Å; L180-Q211 PolarHBondContact O-NE2 2.85Å; L180-Q211 PolarHBondContact O-OE1 2.93Å; L180-Y212 PolarHBondContact O-OH 2.92Å; L180-L217 HydrophobicContact CD2-CD1 3.98Å
181S91.8Very high94Very high45 Ų4566.2 Ų66.232%0.31534%0.34SS..THydrogen-bonded Turntrans-91.610.4172.659.60000114.2D177 S178 L179 K183D177-S181 VanDerWaalsContact O-CB 3.29Å; D177-S181 WeakPolarHBondContact O-CB 3.29Å; D177-S181 PolarHBondContact O-N 2.78Å; D177-S181 PolarHBondContact O-OG 3.46Å; S178-S181 PolarHBondContact O-OG 2.78Å; L179-S181 PolarHBondContact O-N 3.34Å; S181-K183 PolarHBondContact O-N 3.11Å
182A89.2Confident94.2Very high60 Ų6064.9 Ų64.950%0.49634%0.34SS..THydrogen-bonded Turntrans563117900000114.6S178 L179S178-A182 PolarHBondContact O-N 2.75Å; L179-A182 PolarHBondContact O-N 3.12Å
183K90.6Very high94.3Very high152 Ų15265 Ų6566%0.66134%0.341SS*.SBendtrans-85.8-21.7173.1-62.7174.9-175.6164.30112.6S178 S181S178-K183 WeakPolarHBondContact O-CA 3.18Å; S178-K183 WeakPolarHBondContact O-CB 3.47Å; S178-K183 PolarHBondContact O-N 2.83Å; S181-K183 PolarHBondContact O-N 3.11Å
184V92.8Very high94.4Very high55 Ų5567.4 Ų67.433%0.33336%0.356SS..SBendtrans-132.8150.1172.7-62.90000108.7S178 L179 M187S178-V184 PolarHBondContact O-N 2.87Å; L179-V184 HydrophobicContact CB-CG2 3.81Å; L179-V184 HydrophobicContact CD1-CG2 4.27Å; L179-V184 WeakPolarHBondContact CD1-O 3.41Å; V184-M187 HydrophobicContact CG2-CE 4.25Å
185D92.5Very high94.4Very high132 Ų13264.2 Ų64.271%0.70635%0.347SS*.SBendtrans-91.7-16.9-176.2-62.4-35.5000113.2G219 T220D185-G219 CarbonylContact O-C 3.57Å; D185-G219 WeakPolarHBondContact O-CA 3.45Å; D185-T220 PolarHBondContact O-N 2.95Å
186S95Very high94.4Very high76 Ų7666 Ų6653%0.53136%0.36SS..EExtended strand (participates in β ladder)trans-149.1152.217965.30000112.5T220S186-T220 CarbonylContact C-O 3.58Å; S186-T220 WeakPolarHBondContact CA-O 3.41Å; S186-T220 VanDerWaalsContact CB-OG1 3.25Å; S186-T220 WeakPolarHBondContact CB-OG1 3.32Å
187M96.2Very high94.4Very high38 Ų3867.8 Ų67.819%0.18737%0.37CS..EExtended strand (participates in β ladder)trans-149.9141.9174.6-169.7178.2-74.300110.9A176 S178 L179 V184 L189 T220 L221 H222A176-M187 VanDerWaalsContact CA-SD 3.58Å; A176-M187 HydrophobicContact CB-SD 4.05Å; S178-M187 WeakPolarHBondContact OG-CE 3.4Å; L179-M187 HydrophobicContact CB-CB 4.35Å; L179-M187 HydrophobicContact CB-CE 4.19Å; L179-M187 HydrophobicContact CD2-CB 3.7Å; V184-M187 HydrophobicContact CG2-CE 4.25Å; M187-L189 HydrophobicContact CG-CD2 4.04Å; M187-L189 HydrophobicContact CG-CG 4.02Å; M187-L189 HydrophobicContact SD-CD1 3.93Å; M187-L189 HydrophobicContact SD-CD2 3.75Å; M187-L189 HydrophobicContact SD-CG 3.9Å; M187-T220 PolarHBondContact N-O 3.11Å; M187-L221 HydrophobicContact CB-CD1 4.03Å; M187-L221 HydrophobicContact CG-CD1 4.43Å; M187-H222 PolarHBondContact O-N 2.75Å
188H97Very high94.5Very high100 Ų10071.1 Ų71.146%0.46338%0.376SS..EExtended strand (participates in β ladder)trans-116.6127.7171.2-170.390.4000109.5E190 H222H188-E190 IonicContact NE2-OE1 2.75Å; H188-H222 CarbonylContact C-O 3.53Å; H188-H222 VanDerWaalsContact CA-O 3.28Å; H188-H222 WeakPolarHBondContact CA-O 3.31Å; H188-H222 AromaticContact CE1-CE1 3.77Å; H188-H222 AromaticContact CE1-ND1 3.14Å; H188-H222 PolarHBondContact CE1-ND1 3.23Å; H188-H222 AromaticContact ND1-CG 3.62Å; H188-H222 AromaticContact ND1-ND1 3.14Å; H188-H222 PolarHBondContact ND1-ND1 3.3Å; H188-H222 VanDerWaalsContact ND1-ND1 3.14Å
189L97Very high94.5Very high24 Ų2470.4 Ų70.413%0.12637%0.372CS..EExtended strand (participates in β ladder)trans-128.1145.5-179.8-61.8174.8000110.3V172 D175 A176 M187 Y191 L221 H222 I223 K224V172-L189 HydrophobicContact CG1-CD1 4.1Å; D175-L189 HydrophobicContact CB-CD1 4.18Å; D175-L189 HydrophobicContact CB-CD2 4.17Å; A176-L189 HydrophobicContact CB-CD1 4.16Å; M187-L189 HydrophobicContact CG-CD2 4.04Å; M187-L189 HydrophobicContact CG-CG 4.02Å; M187-L189 HydrophobicContact SD-CD1 3.93Å; M187-L189 HydrophobicContact SD-CD2 3.75Å; M187-L189 HydrophobicContact SD-CG 3.9Å; L189-Y191 HydrophobicContact CB-CD2 4.46Å; L189-Y191 HydrophobicContact CB-CE2 3.63Å; L189-Y191 HydrophobicContact CD1-CE2 4.22Å; L189-Y191 HydrophobicContact CG-CE2 4.49Å; L189-L221 HydrophobicContact CD1-CD1 4.04Å; L189-L221 HydrophobicContact CG-CD1 4.37Å; L189-H222 PolarHBondContact N-O 3.13Å; L189-I223 CarbonylContact O-C 3.57Å; L189-I223 WeakPolarHBondContact O-CA 3.22Å; L189-K224 PolarHBondContact O-N 2.88Å
190E97.6Very high94.7Very high127 Ų12770.4 Ų70.459%0.59337%0.372SS*.EExtended strand (participates in β ladder)trans-124.5134.1178.6-57.6-163.2153.100111.3H188 K224H188-E190 IonicContact NE2-OE1 2.75Å; E190-K224 VanDerWaalsContact CA-O 3.28Å; E190-K224 WeakPolarHBondContact CA-O 2.87Å; E190-K224 HydrophobicContact CG-CB 4.25Å
191Y97.3Very high94.9Very high23 Ų2369.8 Ų69.89%0.0937%0.369CS..EExtended strand (participates in β ladder)trans-143.5157.7175.5-54.6-85.6000112.4L168 R171 V172 D175 L189 I223 K224 L225 R226L168-Y191 HydrophobicContact CD1-CD1 4.25Å; L168-Y191 HydrophobicContact CD1-CG 4.49Å; R171-Y191 HydrophobicContact CG-CE1 3.98Å; V172-Y191 HydrophobicContact CG2-CD2 4.24Å; V172-Y191 HydrophobicContact CG2-CE2 3.68Å; D175-Y191 WeakPolarHBondContact CB-OH 3.43Å; D175-Y191 PolarHBondContact OD2-OH 3.38Å; L189-Y191 HydrophobicContact CB-CD2 4.46Å; L189-Y191 HydrophobicContact CB-CE2 3.63Å; L189-Y191 HydrophobicContact CD1-CE2 4.22Å; L189-Y191 HydrophobicContact CG-CE2 4.49Å; Y191-I223 HydrophobicContact CD2-CG2 3.96Å; Y191-I223 HydrophobicContact CE2-CG2 4.27Å; Y191-K224 PolarHBondContact N-O 2.92Å; Y191-L225 HydrophobicContact CD2-CD2 4.23Å; Y191-L225 HydrophobicContact CG-CD2 4.49Å; Y191-L225 VanDerWaalsContact O-CA 3.27Å; Y191-L225 WeakPolarHBondContact O-CA 3.47Å; Y191-R226 PolarHBondContact O-N 3.39Å; Y191-R226 VanDerWaalsContact O-N 3.11Å
192E96.7Very high95.1Very high128 Ų12868.7 Ų68.760%0.59836%0.363SS*.EExtended strand (participates in β ladder)trans-86.8141.6164.1-66.6-69.714800109.1R226E192-R226 CarbonylContact C-O 3.6Å; E192-R226 WeakPolarHBondContact CA-O 3.49Å
193I97.3Very high95.4Very high4 Ų466.7 Ų66.72%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-126.6141.5178.4-165.3167.4000111.3D197 F200 L225 R226 G227 S228 A229 F233 L245I193-D197 HydrophobicContact CD1-CB 4.05Å; I193-D197 HydrophobicContact CG1-CB 3.62Å; I193-F200 HydrophobicContact CD1-CB 4.05Å; I193-F200 HydrophobicContact CD1-CD1 4.44Å; I193-F200 HydrophobicContact CD1-CG 4.16Å; I193-L225 HydrophobicContact CB-CB 4.47Å; I193-L225 HydrophobicContact CD1-CD1 3.93Å; I193-L225 HydrophobicContact CG2-CB 4.03Å; I193-R226 PolarHBondContact N-O 2.96Å; I193-G227 WeakPolarHBondContact O-CA 3.39Å; I193-S228 PolarHBondContact O-N 2.87Å; I193-A229 HydrophobicContact CD1-CB 3.83Å; I193-A229 HydrophobicContact CG1-CB 4.45Å; I193-A229 HydrophobicContact CG2-CB 4.37Å; I193-F233 HydrophobicContact CD1-CD2 4.06Å; I193-F233 HydrophobicContact CD1-CE2 3.83Å; I193-L245 HydrophobicContact CG2-CD1 3.69Å
194T96.6Very high95.6Very high68 Ų6859.5 Ų59.542%0.41731%0.313SS..  trans-120.2166.517671.30000111.2T196 D197 S228T194-T196 PolarHBondContact O-N 3Å; T194-T196 PolarHBondContact OG1-OG1 3.45Å; T194-D197 PolarHBondContact N-OD2 2.81Å; T194-D197 WeakPolarHBondContact O-CB 3.43Å; T194-D197 PolarHBondContact O-N 3.3Å; T194-D197 PolarHBondContact OG1-OD2 3.1Å; T194-S228 CarbonylContact C-O 3.5Å; T194-S228 WeakPolarHBondContact CA-O 3.33Å
195N95Very high95.7Very high99 Ų9957 Ų5753%0.52930%0.298SS..THydrogen-bonded Turntrans-67-12-177.263.126.9000112.9S228 G230N195-S228 VanDerWaalsContact CA-O 3.23Å; N195-S228 WeakPolarHBondContact CA-O 3.26Å; N195-S228 PolarHBondContact N-O 2.77Å; N195-G230 WeakPolarHBondContact O-CA 3.4Å
196T93.8Very high95.8Very high104 Ų10456.9 Ų56.964%0.63829%0.289SS*.THydrogen-bonded Turntrans-78.7-21.3174.669.60000112.8T194 R198T194-T196 PolarHBondContact O-N 3Å; T194-T196 PolarHBondContact OG1-OG1 3.45Å; T196-R198 VanDerWaalsContact C-N 3.34Å; T196-R198 PolarHBondContact O-N 2.98Å
197D94.6Very high95.8Very high39 Ų3956.2 Ų56.221%0.20928%0.277CS..  trans-78.581.3175.7-59.2-64.9000110I193 T194 G230I193-D197 HydrophobicContact CD1-CB 4.05Å; I193-D197 HydrophobicContact CG1-CB 3.62Å; T194-D197 PolarHBondContact N-OD2 2.81Å; T194-D197 WeakPolarHBondContact O-CB 3.43Å; T194-D197 PolarHBondContact O-N 3.3Å; T194-D197 PolarHBondContact OG1-OD2 3.1Å; D197-G230 PolarHBondContact O-N 3.38Å
198R94.6Very high95.7Very high165 Ų16554.4 Ų54.462%0.62327%0.268SS*.THydrogen-bonded Turntrans-88.8148.7-178.5-61.7179.6-63.3159.41.7111.5T196 F200 Q231T196-R198 VanDerWaalsContact C-N 3.34Å; T196-R198 PolarHBondContact O-N 2.98Å; R198-F200 PolarHBondContact O-N 3.13Å; R198-Q231 WeakPolarHBondContact CA-O 3.46Å; R198-Q231 HydrophobicContact CG-CB 4.34Å
199A94.8Very high95.6Very high24 Ų2452.2 Ų52.220%0.19826%0.264CS..THydrogen-bonded Turntrans56.429.3178.900000114G201 A202 Q231 S232A199-G201 PolarHBondContact O-N 2.9Å; A199-A202 HydrophobicContact CB-CB 4.33Å; A199-A202 VanDerWaalsContact O-CB 3.28Å; A199-A202 WeakPolarHBondContact O-CB 3.36Å; A199-A202 PolarHBondContact O-N 3.27Å; A199-A202 VanDerWaalsContact O-N 3.11Å; A199-Q231 PolarHBondContact N-O 3.42Å; A199-S232 WeakPolarHBondContact CA-O 3.39Å
200F97.3Very high95.5Very high2 Ų258.1 Ų58.11%0.00929%0.289CS..THydrogen-bonded Turntrans-58.1132.3177.1179.5-96.9000110.8L168 D169 V172 I193 R198 I223 L225 F233 C234 I243L168-F200 HydrophobicContact CB-CD2 4Å; L168-F200 HydrophobicContact CB-CE2 4.1Å; L168-F200 HydrophobicContact CD2-CD2 3.92Å; L168-F200 HydrophobicContact CD2-CE2 3.73Å; L168-F200 HydrophobicContact CG-CD2 4.05Å; L168-F200 HydrophobicContact CG-CE2 3.71Å; D169-F200 WeakPolarHBondContact OD2-CA 3.45Å; D169-F200 VanDerWaalsContact OD2-CD2 3.32Å; D169-F200 WeakPolarHBondContact OD2-CD2 3.27Å; V172-F200 HydrophobicContact CG2-CE2 3.72Å; V172-F200 HydrophobicContact CG2-CZ 3.77Å; I193-F200 HydrophobicContact CD1-CB 4.05Å; I193-F200 HydrophobicContact CD1-CD1 4.44Å; I193-F200 HydrophobicContact CD1-CG 4.16Å; R198-F200 PolarHBondContact O-N 3.13Å; F200-I223 HydrophobicContact CE1-CG2 4.37Å; F200-I223 HydrophobicContact CZ-CD1 4.31Å; F200-I223 HydrophobicContact CZ-CG2 4.17Å; F200-L225 HydrophobicContact CD1-CD1 3.68Å; F200-L225 HydrophobicContact CE1-CD1 3.45Å; F200-L225 VanDerWaalsContact CE1-CD1 3.45Å; F200-L225 HydrophobicContact CE1-CD2 4.2Å; F200-L225 HydrophobicContact CE1-CG 4.3Å; F200-L225 HydrophobicContact CZ-CD1 4.2Å; F200-L225 HydrophobicContact CZ-CD2 4.14Å; F200-F233 HydrophobicContact CB-CD2 4.07Å; F200-F233 HydrophobicContact CB-CE2 4.33Å; F200-F233 HydrophobicContact CD1-CD2 4.24Å; F200-F233 AromaticContact CD1-CE2 3.69Å; F200-F233 HydrophobicContact CD1-CE2 3.69Å; F200-F233 HydrophobicContact CG-CE2 4.4Å; F200-C234 WeakPolarHBondContact O-CA 3.5Å; F200-C234 PolarHBondContact O-N 3.18Å; F200-I243 HydrophobicContact CD1-CD1 4.17Å; F200-I243 HydrophobicContact CE1-CD1 3.88Å; F200-I243 HydrophobicContact CE1-CG2 4.37Å
201G95.8Very high95.3Very high0 Ų057.4 Ų57.40%029%0.286CS..THydrogen-bonded Turntrans95.8-22.1-176.700000113.7D169 A199 T203 L204 S205D169-G201 WeakPolarHBondContact OD1-CA 3.44Å; D169-G201 PolarHBondContact OD1-N 3.05Å; D169-G201 PolarHBondContact OD2-N 3.06Å; A199-G201 PolarHBondContact O-N 2.9Å; G201-T203 PolarHBondContact O-N 2.75Å; G201-L204 PolarHBondContact O-N 2.9Å; G201-S205 WeakPolarHBondContact O-CB 3.27Å; G201-S205 PolarHBondContact O-N 2.85Å; G201-S205 PolarHBondContact O-OG 3.12Å; G201-S205 VanDerWaalsContact O-OG 3.12Å
202A95.4Very high95.2Very high23 Ų2359.1 Ų59.119%0.1929%0.292CS..Hα-helixtrans-69.4-36.4-177.900000112.8D169 A199 Y206 A235D169-A202 PolarHBondContact OD1-N 3.06Å; A199-A202 HydrophobicContact CB-CB 4.33Å; A199-A202 VanDerWaalsContact O-CB 3.28Å; A199-A202 WeakPolarHBondContact O-CB 3.36Å; A199-A202 PolarHBondContact O-N 3.27Å; A199-A202 VanDerWaalsContact O-N 3.11Å; A202-Y206 PolarHBondContact O-N 2.99Å; A202-A235 WeakPolarHBondContact CA-O 3.48Å; A202-A235 HydrophobicContact CB-CB 4.47Å; A202-A235 WeakPolarHBondContact CB-O 3.3Å
203T95Very high95Very high17 Ų1754.7 Ų54.710%0.10428%0.281CS..Hα-helixtrans-74.8-40.4179-46.60000109.7D169 Y170 L173 G201 S205 Y206 H207D169-T203 HydrophobicContact CB-CG2 4.43Å; D169-T203 WeakPolarHBondContact OD1-CB 3.44Å; D169-T203 PolarHBondContact OD1-N 3.44Å; Y170-T203 HydrophobicContact CD2-CG2 4.39Å; Y170-T203 HydrophobicContact CE2-CG2 3.81Å; L173-T203 HydrophobicContact CD1-CG2 4.23Å; G201-T203 PolarHBondContact O-N 2.75Å; T203-S205 PolarHBondContact O-N 3.33Å; T203-Y206 WeakPolarHBondContact O-CB 3.47Å; T203-Y206 PolarHBondContact O-N 2.66Å; T203-H207 PolarHBondContact O-CD2 3.48Å; T203-H207 VanDerWaalsContact O-CD2 3.24Å; T203-H207 PolarHBondContact O-N 2.91Å
204L95.1Very high94.6Very high1 Ų163.8 Ų63.81%0.00532%0.323CS..Hα-helixtrans-54.2-52.1171.4173.564.1000111.4D169 V172 L173 L180 G201 Y206 H207 I208 L221 I223 V241D169-L204 PolarHBondContact OD1-N 3.15Å; V172-L204 HydrophobicContact CG1-CD1 4.44Å; V172-L204 HydrophobicContact CG1-CD2 4.14Å; L173-L204 HydrophobicContact CD2-CD1 3.79Å; L180-L204 HydrophobicContact CD1-CD1 4.48Å; L180-L204 HydrophobicContact CD2-CD1 4.27Å; G201-L204 PolarHBondContact O-N 2.9Å; L204-Y206 VanDerWaalsContact C-N 3.32Å; L204-Y206 PolarHBondContact O-N 3.09Å; L204-H207 PolarHBondContact O-N 3.14Å; L204-H207 VanDerWaalsContact O-N 3.16Å; L204-I208 HydrophobicContact CD1-CD1 3.94Å; L204-I208 HydrophobicContact CD1-CG1 4.39Å; L204-I208 HydrophobicContact CG-CD1 3.9Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.41Å; L204-L221 HydrophobicContact CD1-CD2 4.14Å; L204-L221 HydrophobicContact CD2-CD2 3.8Å; L204-I223 HydrophobicContact CD2-CD1 3.78Å; L204-V241 HydrophobicContact CD2-CG1 4.03Å
205S95.8Very high94.4Very high3 Ų364.6 Ų64.62%0.02134%0.337CS..Hα-helixtrans-58.6-40176.6-68.80000113.4G201 T203 H207 I208 S209 F236 L237 A238G201-S205 WeakPolarHBondContact O-CB 3.27Å; G201-S205 PolarHBondContact O-N 2.85Å; G201-S205 PolarHBondContact O-OG 3.12Å; G201-S205 VanDerWaalsContact O-OG 3.12Å; T203-S205 PolarHBondContact O-N 3.33Å; S205-H207 VanDerWaalsContact C-N 3.31Å; S205-H207 PolarHBondContact O-N 3.29Å; S205-I208 PolarHBondContact O-N 2.62Å; S205-S209 WeakPolarHBondContact O-CB 3.28Å; S205-S209 PolarHBondContact O-N 2.85Å; S205-S209 PolarHBondContact O-OG 2.84Å; S205-F236 WeakPolarHBondContact CB-O 3.46Å; S205-F236 PolarHBondContact OG-O 3.05Å; S205-L237 WeakPolarHBondContact OG-CA 3.44Å; S205-A238 PolarHBondContact OG-N 2.78Å
206Y94.8Very high94.2Very high130 Ų13060 Ų6051%0.5131%0.313SS..Hα-helixtrans-56.8-45.9175.9164.3-98.7000111.7A202 T203 L204 K210A202-Y206 PolarHBondContact O-N 2.99Å; T203-Y206 WeakPolarHBondContact O-CB 3.47Å; T203-Y206 PolarHBondContact O-N 2.66Å; L204-Y206 VanDerWaalsContact C-N 3.32Å; L204-Y206 PolarHBondContact O-N 3.09Å; Y206-K210 HydrophobicContact CE1-CD 4.19Å; Y206-K210 WeakPolarHBondContact O-CB 3.29Å; Y206-K210 PolarHBondContact O-N 3.33Å
207H94Very high94.2Very high61 Ų6155.5 Ų55.528%0.28229%0.285SS..Hα-helixtrans-67.3-40.2178.8-77.1-80.4000112.1L173 T203 L204 S205 K210 Q211L173-H207 WeakPolarHBondContact CD1-CD2 3.22Å; L173-H207 HydrophobicContact CD2-CB 3.83Å; T203-H207 PolarHBondContact O-CD2 3.48Å; T203-H207 VanDerWaalsContact O-CD2 3.24Å; T203-H207 PolarHBondContact O-N 2.91Å; L204-H207 PolarHBondContact O-N 3.14Å; L204-H207 VanDerWaalsContact O-N 3.16Å; S205-H207 VanDerWaalsContact C-N 3.31Å; S205-H207 PolarHBondContact O-N 3.29Å; H207-K210 PolarHBondContact O-N 3.08Å; H207-Q211 WeakPolarHBondContact O-CB 3.4Å; H207-Q211 PolarHBondContact O-N 3.06Å; H207-Q211 VanDerWaalsContact O-N 3.16Å
208I95.1Very high94Very high0 Ų058.2 Ų58.20%031%0.305CS..Hα-helixtrans-61.1-53.7174.7-66.6169000110.4L180 L204 S205 K210 Q211 Y212 L217 A238 V241L180-I208 HydrophobicContact CD2-CD1 4.24Å; L180-I208 HydrophobicContact CD2-CG1 3.67Å; L204-I208 HydrophobicContact CD1-CD1 3.94Å; L204-I208 HydrophobicContact CD1-CG1 4.39Å; L204-I208 HydrophobicContact CG-CD1 3.9Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.41Å; S205-I208 PolarHBondContact O-N 2.62Å; I208-K210 VanDerWaalsContact C-N 3.33Å; I208-K210 PolarHBondContact O-N 3.21Å; I208-Q211 PolarHBondContact O-N 3.04Å; I208-Q211 VanDerWaalsContact O-N 3.12Å; I208-Y212 HydrophobicContact CG2-CD2 4.2Å; I208-Y212 WeakPolarHBondContact O-CD2 3.32Å; I208-Y212 PolarHBondContact O-N 3.11Å; I208-L217 HydrophobicContact CD1-CB 4.31Å; I208-L217 HydrophobicContact CG1-CD1 4.43Å; I208-L217 HydrophobicContact CG2-CB 3.96Å; I208-A238 HydrophobicContact CB-CB 4.27Å; I208-A238 HydrophobicContact CG2-CB 3.94Å; I208-V241 HydrophobicContact CD1-CG2 3.39Å
209S94.4Very high93.8Very high55 Ų5550.8 Ų50.839%0.38528%0.28SS..Hα-helixtrans-65.5-33.1-179.3-63.70000113S205 Q211 G213S205-S209 WeakPolarHBondContact O-CB 3.28Å; S205-S209 PolarHBondContact O-N 2.85Å; S205-S209 PolarHBondContact O-OG 2.84Å; S209-Q211 VanDerWaalsContact C-N 3.27Å; S209-Q211 PolarHBondContact O-N 3.31Å; S209-G213 WeakPolarHBondContact O-CA 3.47Å; S209-G213 PolarHBondContact O-N 3.17Å
210K94.6Very high93.8Very high148 Ų14853.8 Ų53.864%0.64330%0.296SS*.Hα-helixtrans-63.7-34.5173.8-176.6177.9-174.91750112.1Y206 H207 I208Y206-K210 HydrophobicContact CE1-CD 4.19Å; Y206-K210 WeakPolarHBondContact O-CB 3.29Å; Y206-K210 PolarHBondContact O-N 3.33Å; H207-K210 PolarHBondContact O-N 3.08Å; I208-K210 VanDerWaalsContact C-N 3.33Å; I208-K210 PolarHBondContact O-N 3.21Å
211Q94.1Very high93.8Very high112 Ų11253.8 Ų53.852%0.52330%0.296SS..Hα-helixtrans-90.3-38.5-176.9-173.7171.4-18.700113L180 H207 I208 S209L180-Q211 PolarHBondContact O-NE2 2.85Å; L180-Q211 PolarHBondContact O-OE1 2.93Å; H207-Q211 WeakPolarHBondContact O-CB 3.4Å; H207-Q211 PolarHBondContact O-N 3.06Å; H207-Q211 VanDerWaalsContact O-N 3.16Å; I208-Q211 PolarHBondContact O-N 3.04Å; I208-Q211 VanDerWaalsContact O-N 3.12Å; S209-Q211 VanDerWaalsContact C-N 3.27Å; S209-Q211 PolarHBondContact O-N 3.31Å
212Y94.5Very high93.9Very high58 Ų5856.1 Ų56.123%0.22731%0.306CS..Hα-helixtrans-118.2-0.4-170.2-58.2-71000114.2L180 I208 G216 L217 P218L180-Y212 PolarHBondContact O-OH 2.92Å; I208-Y212 HydrophobicContact CG2-CD2 4.2Å; I208-Y212 WeakPolarHBondContact O-CD2 3.32Å; I208-Y212 PolarHBondContact O-N 3.11Å; Y212-G216 WeakPolarHBondContact CB-O 3.28Å; Y212-L217 HydrophobicContact CE2-CD1 4.02Å; Y212-P218 HydrophobicContact CD1-CG 4.24Å; Y212-P218 HydrophobicContact CE1-CG 3.82Å
213G93Very high94.1Very high36 Ų3655 Ų5537%0.37130%0.297SS..G310 helixtrans66.3-147.2-179.300000113.2S209 A215S209-G213 WeakPolarHBondContact O-CA 3.47Å; S209-G213 PolarHBondContact O-N 3.17Å; G213-A215 VanDerWaalsContact C-N 3.29Å; G213-A215 PolarHBondContact O-N 3.37Å
214E88.9Confident94.2Very high194 Ų19456.5 Ų56.591%0.90730%0.303SS*.G310 helixtrans-71.7-19.9-178.4-65-173.7168.400113.6G216E214-G216 PolarHBondContact O-N 3.36Å
215A91.5Very high94.3Very high86 Ų8656.5 Ų56.571%0.71130%0.303SS*.G310 helixtrans-66-25.1179.500000112.7G213G213-A215 VanDerWaalsContact C-N 3.29Å; G213-A215 PolarHBondContact O-N 3.37Å
216G91.8Very high94.4Very high2 Ų261.6 Ų61.62%0.02132%0.321CS..  trans79.5-163.7-179.400000113.7Y212 E214Y212-G216 WeakPolarHBondContact CB-O 3.28Å; E214-G216 PolarHBondContact O-N 3.36Å
217L93.8Very high94.5Very high9 Ų956.4 Ų56.45%0.04731%0.307CS..  trans-70.2126.1-178.2-172.769000109.4L179 L180 I208 Y212 G219 L221 P239L179-L217 HydrophobicContact CD2-CD2 3.83Å; L179-L217 HydrophobicContact CG-CD1 4.5Å; L179-L217 HydrophobicContact CG-CD2 4.03Å; L180-L217 HydrophobicContact CD2-CD1 3.98Å; I208-L217 HydrophobicContact CD1-CB 4.31Å; I208-L217 HydrophobicContact CG1-CD1 4.43Å; I208-L217 HydrophobicContact CG2-CB 3.96Å; Y212-L217 HydrophobicContact CE2-CD1 4.02Å; L217-G219 VanDerWaalsContact C-N 3.26Å; L217-G219 WeakPolarHBondContact CG-O 3.09Å; L217-G219 PolarHBondContact O-N 2.82Å; L217-L221 HydrophobicContact CD2-CB 3.72Å; L217-P239 PolarHBondContact N-O 3.48Å
218P90.4Very high94.7Very high96 Ų9655.3 Ų55.362%0.62331%0.306SS*.SBendtrans-66.8-29.117824.1-33.4000112.8Y212Y212-P218 HydrophobicContact CD1-CG 4.24Å; Y212-P218 HydrophobicContact CE1-CG 3.82Å
219G90.6Very high94.8Very high9 Ų955.3 Ų55.39%0.09331%0.306CS..SBendtrans-91.4-174.5171.200000113.3D185 L217D185-G219 CarbonylContact O-C 3.57Å; D185-G219 WeakPolarHBondContact O-CA 3.45Å; L217-G219 VanDerWaalsContact C-N 3.26Å; L217-G219 WeakPolarHBondContact CG-O 3.09Å; L217-G219 PolarHBondContact O-N 2.82Å
220T95Very high94.9Very high88 Ų8852.7 Ų52.754%0.5429%0.288SS..EExtended strand (participates in β ladder)trans-115.2118.7-179.251.90000111.7D185 S186 M187 G240D185-T220 PolarHBondContact O-N 2.95Å; S186-T220 CarbonylContact C-O 3.58Å; S186-T220 WeakPolarHBondContact CA-O 3.41Å; S186-T220 VanDerWaalsContact CB-OG1 3.25Å; S186-T220 WeakPolarHBondContact CB-OG1 3.32Å; M187-T220 PolarHBondContact N-O 3.11Å; T220-G240 WeakPolarHBondContact CA-O 3.31Å
221L97.2Very high95Very high1 Ų148.3 Ų48.31%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-107.2116.2175.2-179.453.6000109.5A176 L179 M187 L189 L204 L217 I223 G240 V241 T242A176-L221 HydrophobicContact CB-CD1 4.44Å; A176-L221 HydrophobicContact CB-CD2 4.24Å; L179-L221 HydrophobicContact CD2-CB 3.58Å; L179-L221 HydrophobicContact CD2-CD1 3.92Å; L179-L221 HydrophobicContact CD2-CG 4.2Å; M187-L221 HydrophobicContact CB-CD1 4.03Å; M187-L221 HydrophobicContact CG-CD1 4.43Å; L189-L221 HydrophobicContact CD1-CD1 4.04Å; L189-L221 HydrophobicContact CG-CD1 4.37Å; L204-L221 HydrophobicContact CD1-CD2 4.14Å; L204-L221 HydrophobicContact CD2-CD2 3.8Å; L217-L221 HydrophobicContact CD2-CB 3.72Å; L221-I223 HydrophobicContact CD1-CG1 4.15Å; L221-I223 HydrophobicContact CD2-CD1 4.11Å; L221-I223 HydrophobicContact CD2-CG1 4.36Å; L221-I223 HydrophobicContact CG-CD1 4.22Å; L221-I223 HydrophobicContact CG-CG1 3.93Å; L221-G240 PolarHBondContact N-O 2.94Å; L221-V241 HydrophobicContact CB-CG1 4.46Å; L221-V241 HydrophobicContact CD2-CG1 4.5Å; L221-V241 HydrophobicContact CG-CG1 4.49Å; L221-V241 WeakPolarHBondContact O-CA 3.44Å; L221-T242 PolarHBondContact O-N 3.34Å
222H97.8Very high95.2Very high49 Ų4944.2 Ų44.223%0.22725%0.254CS..EExtended strand (participates in β ladder)trans-108.6117.1174.8-169-72.9000110.2M187 H188 L189 T242 E244M187-H222 PolarHBondContact O-N 2.75Å; H188-H222 CarbonylContact C-O 3.53Å; H188-H222 VanDerWaalsContact CA-O 3.28Å; H188-H222 WeakPolarHBondContact CA-O 3.31Å; H188-H222 AromaticContact CE1-CE1 3.77Å; H188-H222 AromaticContact CE1-ND1 3.14Å; H188-H222 PolarHBondContact CE1-ND1 3.23Å; H188-H222 AromaticContact ND1-CG 3.62Å; H188-H222 AromaticContact ND1-ND1 3.14Å; H188-H222 PolarHBondContact ND1-ND1 3.3Å; H188-H222 VanDerWaalsContact ND1-ND1 3.14Å; L189-H222 PolarHBondContact N-O 3.13Å; H222-T242 CarbonylContact C-O 3.43Å; H222-T242 WeakPolarHBondContact CA-O 3.37Å; H222-E244 IonicContact CE1-OE2 2.76Å; H222-E244 PolarHBondContact CE1-OE2 2.85Å; H222-E244 IonicContact NE2-OE2 3.4Å
223I98.1Very high95.3Very high0 Ų041.4 Ų41.40%024%0.243CC..EExtended strand (participates in β ladder)trans-113.5117179.3-52.1172.5000108.5V172 L189 Y191 F200 L204 L221 L225 T242 I243 E244V172-I223 HydrophobicContact CG1-CD1 3.61Å; L189-I223 CarbonylContact O-C 3.57Å; L189-I223 WeakPolarHBondContact O-CA 3.22Å; Y191-I223 HydrophobicContact CD2-CG2 3.96Å; Y191-I223 HydrophobicContact CE2-CG2 4.27Å; F200-I223 HydrophobicContact CE1-CG2 4.37Å; F200-I223 HydrophobicContact CZ-CD1 4.31Å; F200-I223 HydrophobicContact CZ-CG2 4.17Å; L204-I223 HydrophobicContact CD2-CD1 3.78Å; L221-I223 HydrophobicContact CD1-CG1 4.15Å; L221-I223 HydrophobicContact CD2-CD1 4.11Å; L221-I223 HydrophobicContact CD2-CG1 4.36Å; L221-I223 HydrophobicContact CG-CD1 4.22Å; L221-I223 HydrophobicContact CG-CG1 3.93Å; I223-L225 HydrophobicContact CG2-CD2 3.82Å; I223-L225 HydrophobicContact CG2-CG 4.14Å; I223-T242 PolarHBondContact N-O 3.38Å; I223-I243 HydrophobicContact CB-CG1 4.35Å; I223-I243 HydrophobicContact CD1-CG1 4.4Å; I223-I243 WeakPolarHBondContact O-CA 3.46Å; I223-E244 PolarHBondContact O-N 3.5Å
224K97.8Very high95.6Very high49 Ų4939.7 Ų39.721%0.21323%0.225CC..EExtended strand (participates in β ladder)trans-97.2130.6172.7-174.3175.9177-169.90110.3L189 E190 Y191 E244L189-K224 PolarHBondContact O-N 2.88Å; E190-K224 VanDerWaalsContact CA-O 3.28Å; E190-K224 WeakPolarHBondContact CA-O 2.87Å; E190-K224 HydrophobicContact CG-CB 4.25Å; Y191-K224 PolarHBondContact N-O 2.92Å; K224-E244 CarbonylContact C-O 3.21Å; K224-E244 WeakPolarHBondContact CA-O 3.49Å
225L98Very high96Very high1 Ų130.7 Ų30.71%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-123.3144.8-178.7-58.3174.8000109.9Y191 I193 F200 I223 F233 I243 E244 L245 E246Y191-L225 HydrophobicContact CD2-CD2 4.23Å; Y191-L225 HydrophobicContact CG-CD2 4.49Å; Y191-L225 VanDerWaalsContact O-CA 3.27Å; Y191-L225 WeakPolarHBondContact O-CA 3.47Å; I193-L225 HydrophobicContact CB-CB 4.47Å; I193-L225 HydrophobicContact CD1-CD1 3.93Å; I193-L225 HydrophobicContact CG2-CB 4.03Å; F200-L225 HydrophobicContact CD1-CD1 3.68Å; F200-L225 HydrophobicContact CE1-CD1 3.45Å; F200-L225 VanDerWaalsContact CE1-CD1 3.45Å; F200-L225 HydrophobicContact CE1-CD2 4.2Å; F200-L225 HydrophobicContact CE1-CG 4.3Å; F200-L225 HydrophobicContact CZ-CD1 4.2Å; F200-L225 HydrophobicContact CZ-CD2 4.14Å; I223-L225 HydrophobicContact CG2-CD2 3.82Å; I223-L225 HydrophobicContact CG2-CG 4.14Å; L225-F233 HydrophobicContact CD1-CE2 3.44Å; L225-F233 VanDerWaalsContact CD1-CE2 3.44Å; L225-F233 HydrophobicContact CD1-CZ 3.63Å; L225-I243 HydrophobicContact CD1-CG2 3.81Å; L225-I243 HydrophobicContact CG-CG2 4.42Å; L225-E244 PolarHBondContact N-O 2.76Å; L225-L245 HydrophobicContact CB-CD1 3.84Å; L225-E246 PolarHBondContact O-N 2.88Å
226R97.7Very high96.3Very high109 Ų10931.9 Ų31.941%0.41117%0.173SC..EExtended strand (participates in β ladder)trans-124.1134.8171.6-170.2177.5178.9-159.22.4110.2Y191 E192 I193 E246 D269Y191-R226 PolarHBondContact O-N 3.39Å; Y191-R226 VanDerWaalsContact O-N 3.11Å; E192-R226 CarbonylContact C-O 3.6Å; E192-R226 WeakPolarHBondContact CA-O 3.49Å; I193-R226 PolarHBondContact N-O 2.96Å; R226-E246 WeakPolarHBondContact CA-O 3.13Å; R226-D269 IonicContact CZ-OD2 2.59Å; R226-D269 IonicContact NH2-OD2 3.68Å; R226-D269 PolarHBondContact NH2-OD2 2.99Å
227G96.8Very high96.5Very high21 Ų2131.8 Ų31.822%0.21617%0.172CC..EExtended strand (participates in β ladder)trans124.1-155.4178.100000113.8I193 E246 G247 E248I193-G227 WeakPolarHBondContact O-CA 3.39Å; G227-E246 PolarHBondContact N-O 3.39Å; G227-E246 VanDerWaalsContact N-O 3.13Å; G227-G247 WeakPolarHBondContact O-CA 3.4Å; G227-E248 PolarHBondContact O-N 3.13Å
228S96.8Very high96.7Very high38 Ų3831.3 Ų31.327%0.26617%0.17SC..EExtended strand (participates in β ladder)trans-112.2106.1-174.3-50.90000109.9I193 T194 N195 E248I193-S228 PolarHBondContact O-N 2.87Å; T194-S228 CarbonylContact C-O 3.5Å; T194-S228 WeakPolarHBondContact CA-O 3.33Å; N195-S228 VanDerWaalsContact CA-O 3.23Å; N195-S228 WeakPolarHBondContact CA-O 3.26Å; N195-S228 PolarHBondContact N-O 2.77Å; S228-E248 CarbonylContact C-O 3.49Å; S228-E248 VanDerWaalsContact CA-O 3.28Å; S228-E248 WeakPolarHBondContact CA-O 3.14Å; S228-E248 PolarHBondContact OG-OE1 3.25Å
229A97.5Very high96.9Very high0 Ų028.3 Ų28.30%015%0.15CC..EExtended strand (participates in β ladder)trans-73.4143.4-175.100000113.2I193 F233 L245 E248 N250I193-A229 HydrophobicContact CD1-CB 3.83Å; I193-A229 HydrophobicContact CG1-CB 4.45Å; I193-A229 HydrophobicContact CG2-CB 4.37Å; A229-F233 HydrophobicContact CB-CB 4.09Å; A229-F233 HydrophobicContact CB-CD1 4.27Å; A229-F233 HydrophobicContact CB-CD2 3.49Å; A229-F233 VanDerWaalsContact CB-CD2 3.49Å; A229-F233 HydrophobicContact CB-CE2 3.89Å; A229-F233 HydrophobicContact CB-CG 3.7Å; A229-F233 HydrophobicContact CB-CZ 4.42Å; A229-L245 HydrophobicContact CB-CD1 4.47Å; A229-L245 HydrophobicContact CB-CD2 3.69Å; A229-E248 PolarHBondContact N-O 3.21Å; A229-N250 PolarHBondContact O-N 3.39Å; A229-N250 PolarHBondContact O-ND2 3.03Å
230G97Very high97.2Very high0 Ų029.2 Ų29.20%016%0.159CC..  trans-71.3179.6177.200000114.4N195 D197N195-G230 WeakPolarHBondContact O-CA 3.4Å; D197-G230 PolarHBondContact O-N 3.38Å
231Q97Very high97.3Very high57 Ų5725 Ų2527%0.26613%0.134SC..THydrogen-bonded Turntrans-56.5144.2177.6-66.1-72.2-4.400112.8R198 A199 F233 N250 D251R198-Q231 WeakPolarHBondContact CA-O 3.46Å; R198-Q231 HydrophobicContact CG-CB 4.34Å; A199-Q231 PolarHBondContact N-O 3.42Å; Q231-F233 VanDerWaalsContact C-N 3.26Å; Q231-F233 PolarHBondContact O-N 3.29Å; Q231-N250 HydrophobicContact CG-CB 4.19Å; Q231-D251 PolarHBondContact NE2-OD2 3.29Å; Q231-D251 VanDerWaalsContact OE1-CA 3.25Å; Q231-D251 PolarHBondContact OE1-O 3.37Å; Q231-D251 VanDerWaalsContact OE1-O 3.12Å; Q231-D251 PolarHBondContact OE1-OD2 3.06Å
232S97.4Very high97.3Very high25 Ų2526.7 Ų26.718%0.17514%0.144CC..THydrogen-bonded Turntrans61.928.3179.3-530000114.6A199 C234 A235 D251 Y252A199-S232 WeakPolarHBondContact CA-O 3.39Å; S232-C234 PolarHBondContact O-N 3.39Å; S232-A235 VanDerWaalsContact O-CB 3.29Å; S232-A235 WeakPolarHBondContact O-CB 3.16Å; S232-A235 PolarHBondContact O-N 3.38Å; S232-A235 VanDerWaalsContact O-N 3.1Å; S232-D251 PolarHBondContact N-O 3.33Å; S232-Y252 WeakPolarHBondContact CA-O 3.28Å
233F98.2Very high97.4Very high0 Ų024.3 Ų24.30%013%0.133CC..THydrogen-bonded Turntrans-52.1130.4174-178.5-113.6000111.4I193 F200 L225 A229 Q231 A235 I243 L245 S249 V253 G254 I262 I264I193-F233 HydrophobicContact CD1-CD2 4.06Å; I193-F233 HydrophobicContact CD1-CE2 3.83Å; F200-F233 HydrophobicContact CB-CD2 4.07Å; F200-F233 HydrophobicContact CB-CE2 4.33Å; F200-F233 HydrophobicContact CD1-CD2 4.24Å; F200-F233 AromaticContact CD1-CE2 3.69Å; F200-F233 HydrophobicContact CD1-CE2 3.69Å; F200-F233 HydrophobicContact CG-CE2 4.4Å; L225-F233 HydrophobicContact CD1-CE2 3.44Å; L225-F233 VanDerWaalsContact CD1-CE2 3.44Å; L225-F233 HydrophobicContact CD1-CZ 3.63Å; A229-F233 HydrophobicContact CB-CB 4.09Å; A229-F233 HydrophobicContact CB-CD1 4.27Å; A229-F233 HydrophobicContact CB-CD2 3.49Å; A229-F233 VanDerWaalsContact CB-CD2 3.49Å; A229-F233 HydrophobicContact CB-CE2 3.89Å; A229-F233 HydrophobicContact CB-CG 3.7Å; A229-F233 HydrophobicContact CB-CZ 4.42Å; Q231-F233 VanDerWaalsContact C-N 3.26Å; Q231-F233 PolarHBondContact O-N 3.29Å; F233-A235 VanDerWaalsContact C-N 3.26Å; F233-A235 PolarHBondContact O-N 3.4Å; F233-I243 HydrophobicContact CE1-CG2 4.19Å; F233-I243 HydrophobicContact CE2-CG2 4.16Å; F233-I243 HydrophobicContact CZ-CG2 3.45Å; F233-I243 VanDerWaalsContact CZ-CG2 3.45Å; F233-L245 HydrophobicContact CD1-CD2 4.29Å; F233-L245 HydrophobicContact CE1-CB 4.07Å; F233-L245 HydrophobicContact CE1-CD2 3.83Å; F233-L245 HydrophobicContact CZ-CB 4.05Å; F233-L245 HydrophobicContact CZ-CD2 4.07Å; F233-L245 HydrophobicContact CZ-CG 4.49Å; F233-S249 WeakPolarHBondContact CB-OG 3.43Å; F233-V253 HydrophobicContact CB-CG2 4.28Å; F233-V253 HydrophobicContact CD1-CG1 4.36Å; F233-V253 HydrophobicContact CD1-CG2 4.49Å; F233-V253 CarbonylContact O-C 3.53Å; F233-V253 WeakPolarHBondContact O-CA 3.48Å; F233-G254 PolarHBondContact O-N 2.71Å; F233-I262 HydrophobicContact CE1-CG2 4.4Å; F233-I264 HydrophobicContact CD1-CD1 4.31Å; F233-I264 HydrophobicContact CE1-CD1 4.34Å
234C97.9Very high97.4Very high0 Ų025.7 Ų25.70%014%0.139CC..THydrogen-bonded Turntrans58.230-176.9-56.50000114.8F200 S232 F236 L237 I243 I262F200-C234 WeakPolarHBondContact O-CA 3.5Å; F200-C234 PolarHBondContact O-N 3.18Å; S232-C234 PolarHBondContact O-N 3.39Å; C234-F236 PolarHBondContact O-N 3.34Å; C234-L237 HydrophobicContact CB-CB 4.29Å; C234-L237 HydrophobicContact CB-CD2 4.21Å; C234-L237 PolarHBondContact O-N 2.79Å; C234-I243 VanDerWaalsContact SG-CD1 3.53Å; C234-I262 HydrophobicContact CB-CD1 3.44Å; C234-I262 VanDerWaalsContact CB-CD1 3.44Å; C234-I262 HydrophobicContact CB-CG1 3.69Å
235A97.5Very high97.4Very high4 Ų423.3 Ų23.33%0.03313%0.129CC..THydrogen-bonded Turntrans-61.9131.9173.200000111.1A202 S232 F233 L237 K255A202-A235 WeakPolarHBondContact CA-O 3.48Å; A202-A235 HydrophobicContact CB-CB 4.47Å; A202-A235 WeakPolarHBondContact CB-O 3.3Å; S232-A235 VanDerWaalsContact O-CB 3.29Å; S232-A235 WeakPolarHBondContact O-CB 3.16Å; S232-A235 PolarHBondContact O-N 3.38Å; S232-A235 VanDerWaalsContact O-N 3.1Å; F233-A235 VanDerWaalsContact C-N 3.26Å; F233-A235 PolarHBondContact O-N 3.4Å; A235-L237 VanDerWaalsContact C-N 3.26Å; A235-L237 PolarHBondContact O-N 3.13Å; A235-K255 CarbonylContact C-O 3.58Å; A235-K255 VanDerWaalsContact CA-O 3.23Å; A235-K255 WeakPolarHBondContact CA-O 3.31Å; A235-K255 HydrophobicContact CB-CB 4.23Å
236F97Very high97.4Very high111 Ų11123.9 Ų23.949%0.48713%0.132SC..THydrogen-bonded Turntrans55.833.6-178.3-44.9-71.1000114.2S205 C234 A238 K255 G256S205-F236 WeakPolarHBondContact CB-O 3.46Å; S205-F236 PolarHBondContact OG-O 3.05Å; C234-F236 PolarHBondContact O-N 3.34Å; F236-A238 PolarHBondContact O-N 3.42Å; F236-K255 PolarHBondContact N-O 2.74Å; F236-G256 WeakPolarHBondContact CA-O 3.42Å; F236-G256 WeakPolarHBondContact CD1-O 3.48Å
237L97.7Very high97.3Very high0 Ų019.2 Ų19.20%012%0.117CC..PPolyproline II helixtrans-59.9122.4-177.8-164.467.1000111.2S205 C234 A235 V241 I243 L257 S258 G259 G260 I262S205-L237 WeakPolarHBondContact OG-CA 3.44Å; C234-L237 HydrophobicContact CB-CB 4.29Å; C234-L237 HydrophobicContact CB-CD2 4.21Å; C234-L237 PolarHBondContact O-N 2.79Å; A235-L237 VanDerWaalsContact C-N 3.26Å; A235-L237 PolarHBondContact O-N 3.13Å; L237-V241 HydrophobicContact CD1-CB 4.02Å; L237-V241 HydrophobicContact CD1-CG1 3.78Å; L237-V241 HydrophobicContact CG-CB 4.16Å; L237-V241 HydrophobicContact CG-CG1 4.33Å; L237-I243 HydrophobicContact CD1-CD1 3.48Å; L237-I243 VanDerWaalsContact CD1-CD1 3.48Å; L237-I243 HydrophobicContact CD1-CG1 4.17Å; L237-I243 HydrophobicContact CD2-CB 4.41Å; L237-I243 HydrophobicContact CD2-CD1 4.01Å; L237-I243 HydrophobicContact CD2-CG1 3.99Å; L237-I243 HydrophobicContact CG-CD1 4.41Å; L237-L257 HydrophobicContact CB-CD1 3.55Å; L237-S258 CarbonylContact O-C 3.53Å; L237-S258 VanDerWaalsContact O-C 3.31Å; L237-S258 PolarHBondContact O-N 2.99Å; L237-G259 PolarHBondContact O-N 2.78Å; L237-G260 PolarHBondContact O-N 2.93Å; L237-I262 HydrophobicContact CD2-CG1 4.1Å
238A96.5Very high97.3Very high0 Ų023.1 Ų23.10%013%0.13CC..PPolyproline II helixtrans-76.2158.1-174.200000112.4S205 I208 F236 V241 G260S205-A238 PolarHBondContact OG-N 2.78Å; I208-A238 HydrophobicContact CB-CB 4.27Å; I208-A238 HydrophobicContact CG2-CB 3.94Å; F236-A238 PolarHBondContact O-N 3.42Å; A238-V241 PolarHBondContact O-N 2.97Å; A238-G260 WeakPolarHBondContact O-CA 3.24Å; A238-G260 PolarHBondContact O-N 3.46Å
239P96.3Very high97.3Very high32 Ų3221.7 Ų21.721%0.20812%0.12CC..THydrogen-bonded Turntrans-59.3148.5173.2-14.927.4000111.5L217 V241 S258L217-P239 PolarHBondContact N-O 3.48Å; P239-V241 VanDerWaalsContact C-N 3.29Å; P239-V241 PolarHBondContact O-N 3.13Å; P239-S258 WeakPolarHBondContact CD-O 3.32Å; P239-S258 WeakPolarHBondContact CG-O 3.25Å
240G95.4Very high97.3Very high28 Ų2824.8 Ų24.829%0.28914%0.136SC..THydrogen-bonded Turntrans84-5.9-176.600000114.7T220 L221T220-G240 WeakPolarHBondContact CA-O 3.31Å; L221-G240 PolarHBondContact N-O 2.94Å
241V97.6Very high97.4Very high1 Ų126.5 Ų26.51%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-106.6125.9175.8-168.20000111L204 I208 L221 L237 A238 P239 I243 G260 T261L204-V241 HydrophobicContact CD2-CG1 4.03Å; I208-V241 HydrophobicContact CD1-CG2 3.39Å; L221-V241 HydrophobicContact CB-CG1 4.46Å; L221-V241 HydrophobicContact CD2-CG1 4.5Å; L221-V241 HydrophobicContact CG-CG1 4.49Å; L221-V241 WeakPolarHBondContact O-CA 3.44Å; L237-V241 HydrophobicContact CD1-CB 4.02Å; L237-V241 HydrophobicContact CD1-CG1 3.78Å; L237-V241 HydrophobicContact CG-CB 4.16Å; L237-V241 HydrophobicContact CG-CG1 4.33Å; A238-V241 PolarHBondContact O-N 2.97Å; P239-V241 VanDerWaalsContact C-N 3.29Å; P239-V241 PolarHBondContact O-N 3.13Å; V241-I243 HydrophobicContact CG1-CD1 4.4Å; V241-I243 HydrophobicContact CG1-CG1 4.04Å; V241-G260 WeakPolarHBondContact O-CA 3.39Å; V241-T261 PolarHBondContact O-N 3.39Å
242T98.2Very high97.4Very high35 Ų3528.2 Ų28.222%0.21515%0.15CC..EExtended strand (participates in β ladder)trans-114124.8171.1-61.10000109L221 H222 I223 T261 I263L221-T242 PolarHBondContact O-N 3.34Å; H222-T242 CarbonylContact C-O 3.43Å; H222-T242 WeakPolarHBondContact CA-O 3.37Å; I223-T242 PolarHBondContact N-O 3.38Å; T242-T261 CarbonylContact C-O 3.6Å; T242-T261 WeakPolarHBondContact CA-O 3.16Å; T242-T261 HydrophobicContact CG2-CG2 4.16Å; T242-I263 HydrophobicContact CG2-CD1 3.77Å
243I98.2Very high97.4Very high0 Ų027.1 Ų27.10%014%0.142CC..EExtended strand (participates in β ladder)trans-116.4118175.6-59.9-179000108.8F200 I223 L225 F233 C234 L237 V241 T261 I263F200-I243 HydrophobicContact CD1-CD1 4.17Å; F200-I243 HydrophobicContact CE1-CD1 3.88Å; F200-I243 HydrophobicContact CE1-CG2 4.37Å; I223-I243 HydrophobicContact CB-CG1 4.35Å; I223-I243 HydrophobicContact CD1-CG1 4.4Å; I223-I243 WeakPolarHBondContact O-CA 3.46Å; L225-I243 HydrophobicContact CD1-CG2 3.81Å; L225-I243 HydrophobicContact CG-CG2 4.42Å; F233-I243 HydrophobicContact CE1-CG2 4.19Å; F233-I243 HydrophobicContact CE2-CG2 4.16Å; F233-I243 HydrophobicContact CZ-CG2 3.45Å; F233-I243 VanDerWaalsContact CZ-CG2 3.45Å; C234-I243 VanDerWaalsContact SG-CD1 3.53Å; L237-I243 HydrophobicContact CD1-CD1 3.48Å; L237-I243 VanDerWaalsContact CD1-CD1 3.48Å; L237-I243 HydrophobicContact CD1-CG1 4.17Å; L237-I243 HydrophobicContact CD2-CB 4.41Å; L237-I243 HydrophobicContact CD2-CD1 4.01Å; L237-I243 HydrophobicContact CD2-CG1 3.99Å; L237-I243 HydrophobicContact CG-CD1 4.41Å; V241-I243 HydrophobicContact CG1-CD1 4.4Å; V241-I243 HydrophobicContact CG1-CG1 4.04Å; I243-T261 PolarHBondContact N-O 3.5Å; I243-I263 PolarHBondContact O-N 2.84Å
244E98.2Very high97.4Very high28 Ų2827.1 Ų27.113%0.13114%0.142CC..EExtended strand (participates in β ladder)trans-103.1125.9176.4-176.1-170-177.200109.2H222 I223 K224 L225 I263 Y265H222-E244 IonicContact CE1-OE2 2.76Å; H222-E244 PolarHBondContact CE1-OE2 2.85Å; H222-E244 IonicContact NE2-OE2 3.4Å; I223-E244 PolarHBondContact O-N 3.5Å; K224-E244 CarbonylContact C-O 3.21Å; K224-E244 WeakPolarHBondContact CA-O 3.49Å; L225-E244 PolarHBondContact N-O 2.76Å; E244-I263 CarbonylContact C-O 3.6Å; E244-I263 WeakPolarHBondContact CA-O 3.38Å; E244-I263 HydrophobicContact CB-CB 4.44Å; E244-I263 HydrophobicContact CG-CB 4.4Å; E244-I263 HydrophobicContact CG-CG2 4.34Å; E244-Y265 HydrophobicContact CG-CE1 3.65Å; E244-Y265 WeakPolarHBondContact OE1-CE1 3.46Å; E244-Y265 PolarHBondContact OE1-OH 3.46Å
245L98.2Very high97.4Very high0 Ų030.5 Ų30.50%016%0.157CC..EExtended strand (participates in β ladder)trans-118.6110.4177.7178.162.7000110I193 L225 A229 F233 G247 E248 I263 I264 Y265I193-L245 HydrophobicContact CG2-CD1 3.69Å; L225-L245 HydrophobicContact CB-CD1 3.84Å; A229-L245 HydrophobicContact CB-CD1 4.47Å; A229-L245 HydrophobicContact CB-CD2 3.69Å; F233-L245 HydrophobicContact CD1-CD2 4.29Å; F233-L245 HydrophobicContact CE1-CB 4.07Å; F233-L245 HydrophobicContact CE1-CD2 3.83Å; F233-L245 HydrophobicContact CZ-CB 4.05Å; F233-L245 HydrophobicContact CZ-CD2 4.07Å; F233-L245 HydrophobicContact CZ-CG 4.49Å; L245-G247 PolarHBondContact O-N 3.18Å; L245-E248 WeakPolarHBondContact CD2-O 3.21Å; L245-I263 PolarHBondContact N-O 3.23Å; L245-I264 HydrophobicContact CB-CG1 4.18Å; L245-I264 HydrophobicContact CD2-CD1 4.35Å; L245-I264 HydrophobicContact CD2-CG1 4.37Å; L245-I264 HydrophobicContact CD2-CG2 4.21Å; L245-I264 HydrophobicContact CG-CG2 4.49Å; L245-I264 WeakPolarHBondContact O-CA 3.26Å; L245-Y265 PolarHBondContact O-N 3.02Å
246E97.9Very high97.4Very high13 Ų1330.8 Ų30.86%0.06116%0.16CC..EExtended strand (participates in β ladder)trans-85.297.3165.2-178.4174.2160.400109L225 R226 G227 Y265 K268L225-E246 PolarHBondContact O-N 2.88Å; R226-E246 WeakPolarHBondContact CA-O 3.13Å; G227-E246 PolarHBondContact N-O 3.39Å; G227-E246 VanDerWaalsContact N-O 3.13Å; E246-Y265 HydrophobicContact CB-CD2 4.45Å; E246-Y265 HydrophobicContact CB-CE2 3.69Å; E246-Y265 HydrophobicContact CG-CD2 4.29Å; E246-Y265 HydrophobicContact CG-CE2 3.64Å; E246-K268 WeakPolarHBondContact OE1-CB 3.43Å; E246-K268 WeakPolarHBondContact OE1-CG 3.4Å; E246-K268 PolarHBondContact OE1-N 2.97Å
247G96.6Very high97.5Very high11 Ų1125.5 Ų25.511%0.11314%0.137CC..EExtended strand (participates in β ladder)trans148.8-133.2-176.900000112.4G227 L245 Y265 I281G227-G247 WeakPolarHBondContact O-CA 3.4Å; L245-G247 PolarHBondContact O-N 3.18Å; G247-Y265 PolarHBondContact N-O 3.08Å; G247-Y265 VanDerWaalsContact O-O 3.11Å; G247-I281 VanDerWaalsContact O-CD1 3.3Å; G247-I281 WeakPolarHBondContact O-CD1 3.48Å; G247-I281 WeakPolarHBondContact O-CG1 3.22Å
248E96.1Very high97.4Very high102 Ų10227.3 Ų27.348%0.47715%0.15SC..EExtended strand (participates in β ladder)trans-142163.3-173.369.4-162.8163.300111.3G227 S228 A229 L245 I281G227-E248 PolarHBondContact O-N 3.13Å; S228-E248 CarbonylContact C-O 3.49Å; S228-E248 VanDerWaalsContact CA-O 3.28Å; S228-E248 WeakPolarHBondContact CA-O 3.14Å; S228-E248 PolarHBondContact OG-OE1 3.25Å; A229-E248 PolarHBondContact N-O 3.21Å; L245-E248 WeakPolarHBondContact CD2-O 3.21Å; E248-I281 WeakPolarHBondContact CA-O 3.45Å; E248-I281 HydrophobicContact CB-CG1 4.06Å; E248-I281 WeakPolarHBondContact CB-O 3.32Å
249S97.3Very high97.4Very high9 Ų928.3 Ų28.36%0.06316%0.16CC..EExtended strand (participates in β ladder)trans-138.2156.7179.2-167.60000112.2F233 V253 I281 V282 G283F233-S249 WeakPolarHBondContact CB-OG 3.43Å; S249-V253 WeakPolarHBondContact OG-CG2 3.06Å; S249-I281 PolarHBondContact N-O 3.41Å; S249-V282 WeakPolarHBondContact O-CA 3.32Å; S249-G283 PolarHBondContact O-N 2.82Å
250N97.4Very high97.4Very high64 Ų6426.8 Ų26.834%0.34215%0.151SC..  trans-80.2-150.7175.8-71.6-91.1000111.3A229 Q231 G283A229-N250 PolarHBondContact O-N 3.39Å; A229-N250 PolarHBondContact O-ND2 3.03Å; Q231-N250 HydrophobicContact CG-CB 4.19Å; N250-G283 PolarHBondContact O-N 3.23Å
251D98.1Very high97.5Very high36 Ų3626.8 Ų26.819%0.19315%0.145CC..SBendtrans-78.6165.2-177.9-39.7-67.3000112.8Q231 S232 V253 G283 N284Q231-D251 PolarHBondContact NE2-OD2 3.29Å; Q231-D251 VanDerWaalsContact OE1-CA 3.25Å; Q231-D251 PolarHBondContact OE1-O 3.37Å; Q231-D251 VanDerWaalsContact OE1-O 3.12Å; Q231-D251 PolarHBondContact OE1-OD2 3.06Å; S232-D251 PolarHBondContact N-O 3.33Å; D251-V253 VanDerWaalsContact C-N 3.32Å; D251-V253 PolarHBondContact O-N 3.26Å; D251-G283 WeakPolarHBondContact OD1-CA 3.46Å; D251-N284 WeakPolarHBondContact CA-O 3.43Å; D251-N284 HydrophobicContact CB-CB 4.29Å; D251-N284 WeakPolarHBondContact CB-O 3.26Å; D251-N284 WeakPolarHBondContact OD1-CB 3.15Å; D251-N284 PolarHBondContact OD1-N 2.77Å; D251-N284 PolarHBondContact OD1-ND2 3.48Å
252Y97.8Very high97.6Very high94 Ų9426.8 Ų26.837%0.36915%0.145SC..  trans65.325.5172.4-48.5-63.7000115.6S232 G254 K255 N284 A285S232-Y252 WeakPolarHBondContact CA-O 3.28Å; Y252-G254 PolarHBondContact O-N 2.86Å; Y252-K255 VanDerWaalsContact O-CB 3.31Å; Y252-K255 WeakPolarHBondContact O-CB 3.33Å; Y252-K255 PolarHBondContact O-N 3.37Å; Y252-N284 PolarHBondContact N-O 3.44Å; Y252-A285 HydrophobicContact CD1-CB 3.61Å; Y252-A285 HydrophobicContact CE1-CB 3.58Å
253V98.4Very high97.6Very high1 Ų125.3 Ų25.31%0.00614%0.136CC..THydrogen-bonded Turntrans-52.9127.9171.5173.40000110F233 S249 D251 K255 I262 I264 V282 V286 L287F233-V253 HydrophobicContact CB-CG2 4.28Å; F233-V253 HydrophobicContact CD1-CG1 4.36Å; F233-V253 HydrophobicContact CD1-CG2 4.49Å; F233-V253 CarbonylContact O-C 3.53Å; F233-V253 WeakPolarHBondContact O-CA 3.48Å; S249-V253 WeakPolarHBondContact OG-CG2 3.06Å; D251-V253 VanDerWaalsContact C-N 3.32Å; D251-V253 PolarHBondContact O-N 3.26Å; V253-K255 PolarHBondContact O-N 2.78Å; V253-I262 HydrophobicContact CG1-CD1 4.29Å; V253-I262 HydrophobicContact CG1-CG2 4.09Å; V253-I264 HydrophobicContact CG1-CD1 3.69Å; V253-I264 HydrophobicContact CG2-CD1 4.22Å; V253-V282 HydrophobicContact CB-CG1 3.84Å; V253-V282 HydrophobicContact CG2-CG1 3.34Å; V253-V282 HydrophobicContact CG2-CG2 4.33Å; V253-V286 HydrophobicContact CB-CG1 4.19Å; V253-V286 HydrophobicContact CB-CG2 4.28Å; V253-V286 HydrophobicContact CG1-CG1 4.48Å; V253-V286 CarbonylContact O-C 3.54Å; V253-V286 WeakPolarHBondContact O-CA 3.26Å; V253-L287 PolarHBondContact O-N 3.01Å
254G98Very high97.6Very high0 Ų025.3 Ų25.30%014%0.136CC..THydrogen-bonded Turntrans63.725.6179.800000114F233 Y252 G256 L257 I262 L287F233-G254 PolarHBondContact O-N 2.71Å; Y252-G254 PolarHBondContact O-N 2.86Å; G254-G256 PolarHBondContact O-N 3.15Å; G254-G256 VanDerWaalsContact O-N 3.14Å; G254-L257 WeakPolarHBondContact O-CB 3.38Å; G254-L257 PolarHBondContact O-N 3.09Å; G254-I262 VanDerWaalsContact CA-CD1 3.41Å; G254-L287 WeakPolarHBondContact O-CA 3.26Å
255K98.1Very high97.6Very high72 Ų7224.6 Ų24.631%0.31313%0.132SC..THydrogen-bonded Turntrans-53.5121.6173.7174178.3176-177.70110.1A235 F236 Y252 V253 L257 Y288A235-K255 CarbonylContact C-O 3.58Å; A235-K255 VanDerWaalsContact CA-O 3.23Å; A235-K255 WeakPolarHBondContact CA-O 3.31Å; A235-K255 HydrophobicContact CB-CB 4.23Å; F236-K255 PolarHBondContact N-O 2.74Å; Y252-K255 VanDerWaalsContact O-CB 3.31Å; Y252-K255 WeakPolarHBondContact O-CB 3.33Å; Y252-K255 PolarHBondContact O-N 3.37Å; V253-K255 PolarHBondContact O-N 2.78Å; K255-L257 VanDerWaalsContact C-N 3.27Å; K255-L257 PolarHBondContact O-N 3.46Å; K255-Y288 HydrophobicContact CD-CD1 4.3Å; K255-Y288 HydrophobicContact CG-CD1 4.19Å
256G97.3Very high97.5Very high9 Ų925.2 Ų25.29%0.09314%0.136CC..THydrogen-bonded Turntrans6032.2-176.400000114F236 G254 S258 Y288F236-G256 WeakPolarHBondContact CA-O 3.42Å; F236-G256 WeakPolarHBondContact CD1-O 3.48Å; G254-G256 PolarHBondContact O-N 3.15Å; G254-G256 VanDerWaalsContact O-N 3.14Å; G256-S258 PolarHBondContact O-N 3.07Å; G256-S258 PolarHBondContact O-OG 2.84Å; G256-Y288 PolarHBondContact N-O 3.33Å
257L97.9Very high97.2Very high0 Ų026 Ų260%014%0.143CC..  trans-46.1132.7178-174.161.9000111.5L237 G254 K255 I262 L287 A290 T291 S292 A312L237-L257 HydrophobicContact CB-CD1 3.55Å; G254-L257 WeakPolarHBondContact O-CB 3.38Å; G254-L257 PolarHBondContact O-N 3.09Å; K255-L257 VanDerWaalsContact C-N 3.27Å; K255-L257 PolarHBondContact O-N 3.46Å; L257-I262 HydrophobicContact CD1-CD1 3.93Å; L257-I262 HydrophobicContact CD1-CG1 4.25Å; L257-I262 HydrophobicContact CD2-CD1 4.25Å; L257-L287 HydrophobicContact CB-CD2 3.86Å; L257-L287 HydrophobicContact CD2-CD2 3.62Å; L257-L287 HydrophobicContact CG-CD2 4.38Å; L257-A290 HydrophobicContact CB-CB 3.97Å; L257-T291 PolarHBondContact O-N 2.77Å; L257-T291 PolarHBondContact O-OG1 2.9Å; L257-S292 CarbonylContact C-O 3.59Å; L257-S292 VanDerWaalsContact CG-O 3.28Å; L257-S292 WeakPolarHBondContact CG-O 3.38Å; L257-S292 PolarHBondContact O-N 2.87Å; L257-S292 VanDerWaalsContact O-O 3.13Å; L257-A312 HydrophobicContact CD2-CB 4.29Å
258S96.5Very high96.9Very high38 Ų3832.5 Ų32.527%0.26617%0.168SC..EExtended strand (participates in β ladder)trans-127.335.3-168-54.20000112.3L237 P239 G256 S292L237-S258 CarbonylContact O-C 3.53Å; L237-S258 VanDerWaalsContact O-C 3.31Å; L237-S258 PolarHBondContact O-N 2.99Å; P239-S258 WeakPolarHBondContact CD-O 3.32Å; P239-S258 WeakPolarHBondContact CG-O 3.25Å; G256-S258 PolarHBondContact O-N 3.07Å; G256-S258 PolarHBondContact O-OG 2.84Å; S258-S292 VanDerWaalsContact C-OG 3.22Å
259G95.5Very high96.5Very high21 Ų2133 Ų3322%0.21617%0.174CC..EExtended strand (participates in β ladder)trans114.7-13.8173.700000115.7L237 S292L237-G259 PolarHBondContact O-N 2.78Å; G259-S292 VanDerWaalsContact CA-OG 3.31Å; G259-S292 WeakPolarHBondContact CA-OG 3.27Å; G259-S292 PolarHBondContact N-O 2.78Å; G259-S292 VanDerWaalsContact N-O 3.15Å; G259-S292 PolarHBondContact N-OG 2.97Å; G259-S292 VanDerWaalsContact N-OG 3.08Å
260G97.1Very high96.1Very high1 Ų135.1 Ų35.11%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-67.7169.4173.400000113.9L237 A238 V241 G293 K294L237-G260 PolarHBondContact O-N 2.93Å; A238-G260 WeakPolarHBondContact O-CA 3.24Å; A238-G260 PolarHBondContact O-N 3.46Å; V241-G260 WeakPolarHBondContact O-CA 3.39Å; G260-G293 WeakPolarHBondContact O-CA 3.21Å; G260-K294 PolarHBondContact O-N 3.04Å
261T98.3Very high95.8Very high28 Ų2838.4 Ų38.417%0.17220%0.201CC..EExtended strand (participates in β ladder)trans-114.2127.4177.2-59.80000110.9V241 T242 I243 I263 K294 F296V241-T261 PolarHBondContact O-N 3.39Å; T242-T261 CarbonylContact C-O 3.6Å; T242-T261 WeakPolarHBondContact CA-O 3.16Å; T242-T261 HydrophobicContact CG2-CG2 4.16Å; I243-T261 PolarHBondContact N-O 3.5Å; T261-I263 HydrophobicContact CG2-CD1 4.39Å; T261-I263 HydrophobicContact CG2-CG1 4.15Å; T261-K294 CarbonylContact C-O 3.57Å; T261-K294 WeakPolarHBondContact CA-O 3.47Å; T261-K294 HydrophobicContact CG2-CB 4.18Å; T261-F296 HydrophobicContact CG2-CD2 4.34Å; T261-F296 HydrophobicContact CG2-CE2 4.42Å
262I98.5Very high95.2Very high0 Ų042.9 Ų42.90%023%0.232CC..EExtended strand (participates in β ladder)trans-113.6127.7178.7-53.6171.1000108.5F233 C234 L237 V253 G254 L257 I264 K294 A295 F296F233-I262 HydrophobicContact CE1-CG2 4.4Å; C234-I262 HydrophobicContact CB-CD1 3.44Å; C234-I262 VanDerWaalsContact CB-CD1 3.44Å; C234-I262 HydrophobicContact CB-CG1 3.69Å; L237-I262 HydrophobicContact CD2-CG1 4.1Å; V253-I262 HydrophobicContact CG1-CD1 4.29Å; V253-I262 HydrophobicContact CG1-CG2 4.09Å; G254-I262 VanDerWaalsContact CA-CD1 3.41Å; L257-I262 HydrophobicContact CD1-CD1 3.93Å; L257-I262 HydrophobicContact CD1-CG1 4.25Å; L257-I262 HydrophobicContact CD2-CD1 4.25Å; I262-I264 HydrophobicContact CG2-CD1 4.05Å; I262-I264 HydrophobicContact CG2-CG1 3.94Å; I262-K294 PolarHBondContact N-O 3.27Å; I262-A295 HydrophobicContact CB-CB 4.26Å; I262-A295 CarbonylContact O-C 3.58Å; I262-A295 WeakPolarHBondContact O-CA 3.45Å; I262-F296 PolarHBondContact O-N 3.11Å
263I98.4Very high94.9Very high5 Ų542.4 Ų42.43%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-125.3124.4177.5-56.6161.9000107.4T242 I243 E244 L245 T261 Y265 F296 L393 T394T242-I263 HydrophobicContact CG2-CD1 3.77Å; I243-I263 PolarHBondContact O-N 2.84Å; E244-I263 CarbonylContact C-O 3.6Å; E244-I263 WeakPolarHBondContact CA-O 3.38Å; E244-I263 HydrophobicContact CB-CB 4.44Å; E244-I263 HydrophobicContact CG-CB 4.4Å; E244-I263 HydrophobicContact CG-CG2 4.34Å; L245-I263 PolarHBondContact N-O 3.23Å; T261-I263 HydrophobicContact CG2-CD1 4.39Å; T261-I263 HydrophobicContact CG2-CG1 4.15Å; I263-Y265 HydrophobicContact CG2-CD1 4.04Å; I263-Y265 HydrophobicContact CG2-CE1 4.31Å; I263-F296 WeakPolarHBondContact CA-O 3.32Å; I263-F296 HydrophobicContact CG1-CD2 4.48Å; I263-L393 HydrophobicContact CD1-CB 4.17Å; I263-L393 HydrophobicContact CD1-CD1 3.97Å; I263-L393 HydrophobicContact CD1-CD2 3.88Å; I263-L393 HydrophobicContact CD1-CG 4.23Å; I263-L393 HydrophobicContact CG1-CB 4.37Å; I263-L393 HydrophobicContact CG1-CD1 4.16Å; I263-L393 HydrophobicContact CG2-CB 4.22Å; I263-T394 HydrophobicContact CG2-CG2 4.05Å
264I98.2Very high94.6Very high0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-132.7126.9179.5-53.7-177.3000109.2F233 L245 V253 I262 I281 V282 F296 R298F233-I264 HydrophobicContact CD1-CD1 4.31Å; F233-I264 HydrophobicContact CE1-CD1 4.34Å; L245-I264 HydrophobicContact CB-CG1 4.18Å; L245-I264 HydrophobicContact CD2-CD1 4.35Å; L245-I264 HydrophobicContact CD2-CG1 4.37Å; L245-I264 HydrophobicContact CD2-CG2 4.21Å; L245-I264 HydrophobicContact CG-CG2 4.49Å; L245-I264 WeakPolarHBondContact O-CA 3.26Å; V253-I264 HydrophobicContact CG1-CD1 3.69Å; V253-I264 HydrophobicContact CG2-CD1 4.22Å; I262-I264 HydrophobicContact CG2-CD1 4.05Å; I262-I264 HydrophobicContact CG2-CG1 3.94Å; I264-I281 HydrophobicContact CG2-CD1 4.3Å; I264-I281 HydrophobicContact CG2-CG1 4.37Å; I264-V282 HydrophobicContact CD1-CG2 3.71Å; I264-V282 HydrophobicContact CG2-CG2 4.16Å; I264-F296 PolarHBondContact N-O 2.93Å; I264-R298 PolarHBondContact O-N 2.87Å
265Y97.4Very high94.3Very high12 Ų1250.4 Ų50.45%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-146.2156.3174.658.3-98.4000111.7E244 L245 E246 G247 I263E244-Y265 HydrophobicContact CG-CE1 3.65Å; E244-Y265 WeakPolarHBondContact OE1-CE1 3.46Å; E244-Y265 PolarHBondContact OE1-OH 3.46Å; L245-Y265 PolarHBondContact O-N 3.02Å; E246-Y265 HydrophobicContact CB-CD2 4.45Å; E246-Y265 HydrophobicContact CB-CE2 3.69Å; E246-Y265 HydrophobicContact CG-CD2 4.29Å; E246-Y265 HydrophobicContact CG-CE2 3.64Å; G247-Y265 PolarHBondContact N-O 3.08Å; G247-Y265 VanDerWaalsContact O-O 3.11Å; I263-Y265 HydrophobicContact CG2-CD1 4.04Å; I263-Y265 HydrophobicContact CG2-CE1 4.31Å
266P96Very high94.1Very high13 Ų1347 Ų478%0.08426%0.263CS..  trans-64.6152.3-176.2-9.620.3000111.4K268 F274 I281 R298P266-K268 PolarHBondContact O-N 3.21Å; P266-F274 HydrophobicContact CB-CD1 4.18Å; P266-F274 HydrophobicContact CB-CE1 3.61Å; P266-F274 HydrophobicContact CB-CZ 4.35Å; P266-F274 HydrophobicContact CG-CD1 4.34Å; P266-F274 HydrophobicContact CG-CE1 3.59Å; P266-F274 HydrophobicContact CG-CZ 4.47Å; P266-I281 HydrophobicContact CB-CD1 4.08Å; P266-I281 HydrophobicContact CG-CD1 3.7Å; P266-I281 VanDerWaalsContact N-CD1 3.35Å; P266-R298 WeakPolarHBondContact CD-O 3.3Å
267S93Very high93.9Very high30 Ų3049.4 Ų49.421%0.2127%0.271CS..  trans-54.1141.4176179.50000112.4D269 C270S267-D269 PolarHBondContact O-N 3.47Å; S267-D269 PolarHBondContact OG-N 2.89Å; S267-C270 VanDerWaalsContact O-CB 3.27Å; S267-C270 WeakPolarHBondContact O-CB 3.31Å; S267-C270 PolarHBondContact O-N 2.83Å; S267-C270 VanDerWaalsContact O-N 3.12Å; S267-C270 PolarHBondContact O-SG 2.77Å
268K89Confident93.7Very high148 Ų14855 Ų5564%0.64330%0.298SS*.THydrogen-bonded Turntrans-66-18.8175.6-65.8175.3-174175.40112.4E246 P266 C270E246-K268 WeakPolarHBondContact OE1-CB 3.43Å; E246-K268 WeakPolarHBondContact OE1-CG 3.4Å; E246-K268 PolarHBondContact OE1-N 2.97Å; P266-K268 PolarHBondContact O-N 3.21Å; K268-C270 VanDerWaalsContact C-N 3.3Å
269D89.4Confident93.6Very high113 Ų11356.2 Ų56.260%0.60430%0.301SS*.THydrogen-bonded Turntrans-860.7176.4-53.3-49.1000113.3R226 S267 H271R226-D269 IonicContact CZ-OD2 2.59Å; R226-D269 IonicContact NH2-OD2 3.68Å; R226-D269 PolarHBondContact NH2-OD2 2.99Å; S267-D269 PolarHBondContact O-N 3.47Å; S267-D269 PolarHBondContact OG-N 2.89Å; D269-H271 PolarHBondContact O-N 3.46Å
270C88.3Confident93.6Very high52 Ų5260.3 Ų60.335%0.35132%0.317SS..SBendtrans-56.3141.9173.4-790000110.7S267 K268 F274S267-C270 VanDerWaalsContact O-CB 3.27Å; S267-C270 WeakPolarHBondContact O-CB 3.31Å; S267-C270 PolarHBondContact O-N 2.83Å; S267-C270 VanDerWaalsContact O-N 3.12Å; S267-C270 PolarHBondContact O-SG 2.77Å; K268-C270 VanDerWaalsContact C-N 3.3Å; C270-F274 HydrophobicContact CB-CB 4.03Å; C270-F274 HydrophobicContact CB-CD1 4.3Å; C270-F274 HydrophobicContact CB-CG 4.19Å
271H90.1Very high93.6Very high134 Ų13460.7 Ų60.762%0.6232%0.319SS*.  trans-53.3139.4176.5-173.6-93000110.3D269 S273 F274D269-H271 PolarHBondContact O-N 3.46Å; H271-S273 WeakPolarHBondContact ND1-CB 3.39Å; H271-S273 PolarHBondContact ND1-N 2.68Å; H271-S273 PolarHBondContact ND1-OG 3.47Å; H271-S273 PolarHBondContact O-N 2.87Å; H271-F274 WeakPolarHBondContact O-CB 3.19Å; H271-F274 PolarHBondContact O-N 3.13Å
272P86.1Confident93.5Very high129 Ų12959.4 Ų59.484%0.83831%0.311SS*.THydrogen-bonded Turntrans-56.8-18.3-176-28.335.1000115.7F274P272-F274 VanDerWaalsContact C-N 3.32Å
273S90.5Very high93.4Very high85 Ų8560 Ų6059%0.59432%0.317SS*.THydrogen-bonded Turntrans-79.1-11173.971.90000114H271H271-S273 WeakPolarHBondContact ND1-CB 3.39Å; H271-S273 PolarHBondContact ND1-N 2.68Å; H271-S273 PolarHBondContact ND1-OG 3.47Å; H271-S273 PolarHBondContact O-N 2.87Å
274F92.3Very high93.3Very high76 Ų7662.5 Ų62.533%0.33333%0.33SS..  trans-69.1130.4179.5-176.7-90000110.2P266 C270 H271 P272 N279P266-F274 HydrophobicContact CB-CD1 4.18Å; P266-F274 HydrophobicContact CB-CE1 3.61Å; P266-F274 HydrophobicContact CB-CZ 4.35Å; P266-F274 HydrophobicContact CG-CD1 4.34Å; P266-F274 HydrophobicContact CG-CE1 3.59Å; P266-F274 HydrophobicContact CG-CZ 4.47Å; C270-F274 HydrophobicContact CB-CB 4.03Å; C270-F274 HydrophobicContact CB-CD1 4.3Å; C270-F274 HydrophobicContact CB-CG 4.19Å; H271-F274 WeakPolarHBondContact O-CB 3.19Å; H271-F274 PolarHBondContact O-N 3.13Å; P272-F274 VanDerWaalsContact C-N 3.32Å; F274-N279 HydrophobicContact CE2-CB 3.71Å; F274-N279 HydrophobicContact CZ-CB 3.65Å
275K93Very high93.3Very high92 Ų9262.9 Ų62.940%0.433%0.334SS..  trans-124.6112.8-179.8-68.9173-175.2169.10108.7Q277 E278 N279K275-Q277 PolarHBondContact O-N 3.05Å; K275-E278 HydrophobicContact CB-CB 4.24Å; K275-E278 HydrophobicContact CB-CG 4.27Å; K275-E278 HydrophobicContact CD-CG 4.29Å; K275-E278 WeakPolarHBondContact CD-OE1 3.45Å; K275-E278 WeakPolarHBondContact CD-OE2 3.32Å; K275-E278 IonicContact NZ-OE1 2.7Å; K275-E278 PolarHBondContact NZ-OE1 3.31Å; K275-E278 IonicContact NZ-OE2 3.23Å; K275-E278 PolarHBondContact NZ-OE2 2.74Å; K275-E278 PolarHBondContact O-N 2.83Å; K275-N279 PolarHBondContact O-ND2 3.17Å
276S93.9Very high93.3Very high2 Ų262.3 Ų62.31%0.01433%0.332CS..G310 helixtrans-57-36.8-178.551.40000112.2E278 N279 R298 G299 E317S276-E278 PolarHBondContact O-N 2.91Å; S276-E278 VanDerWaalsContact O-N 3.12Å; S276-N279 PolarHBondContact O-N 3.18Å; S276-N279 VanDerWaalsContact O-O 3.06Å; S276-R298 WeakPolarHBondContact CB-O 3.49Å; S276-R298 PolarHBondContact OG-NE 2.72Å; S276-G299 VanDerWaalsContact O-CA 3.28Å; S276-G299 WeakPolarHBondContact O-CA 3.47Å; S276-E317 WeakPolarHBondContact CB-OE2 3.48Å; S276-E317 PolarHBondContact OG-OE1 3.33Å; S276-E317 PolarHBondContact OG-OE2 3.49Å
277Q92.5Very high93.4Very high58 Ų5861.7 Ų61.727%0.27133%0.328SS..G310 helixtrans-73.4-2-179.376.4-78.84.900115K275 E317 V398K275-Q277 PolarHBondContact O-N 3.05Å; Q277-E317 WeakPolarHBondContact CA-OE2 3.46Å; Q277-E317 HydrophobicContact CB-CB 4.3Å; Q277-E317 PolarHBondContact N-OE2 3.47Å; Q277-V398 HydrophobicContact CB-CG2 3.68Å; Q277-V398 HydrophobicContact CG-CG2 3.94Å
278E93.7Very high93.7Very high117 Ų11765.1 Ų65.155%0.54734%0.336SS..G310 helixtrans-116.70.2176.8-65.7175.3-160.900111.8K275 S276K275-E278 HydrophobicContact CB-CB 4.24Å; K275-E278 HydrophobicContact CB-CG 4.27Å; K275-E278 HydrophobicContact CD-CG 4.29Å; K275-E278 WeakPolarHBondContact CD-OE1 3.45Å; K275-E278 WeakPolarHBondContact CD-OE2 3.32Å; K275-E278 IonicContact NZ-OE1 2.7Å; K275-E278 PolarHBondContact NZ-OE1 3.31Å; K275-E278 IonicContact NZ-OE2 3.23Å; K275-E278 PolarHBondContact NZ-OE2 2.74Å; K275-E278 PolarHBondContact O-N 2.83Å; S276-E278 PolarHBondContact O-N 2.91Å; S276-E278 VanDerWaalsContact O-N 3.12Å
279N95Very high94Very high64 Ų6459.2 Ų59.234%0.34232%0.318SS..SBendtrans-132.6142.5-171.9-69.6-85000112.2F274 K275 S276 I300F274-N279 HydrophobicContact CE2-CB 3.71Å; F274-N279 HydrophobicContact CZ-CB 3.65Å; K275-N279 PolarHBondContact O-ND2 3.17Å; S276-N279 PolarHBondContact O-N 3.18Å; S276-N279 VanDerWaalsContact O-O 3.06Å; N279-I300 WeakPolarHBondContact O-CB 3.28Å; N279-I300 PolarHBondContact O-N 3.34Å
280I95.6Very high93.6Very high107 Ų10753.9 Ų53.955%0.54929%0.289SS..EExtended strand (participates in β ladder)trans-74.4128.2173.1-63.5171.6000108.6V282 I300 A302I280-V282 VanDerWaalsContact CG2-O 3.27Å; I280-V282 WeakPolarHBondContact CG2-O 3.39Å; I280-I300 CarbonylContact C-O 3.46Å; I280-I300 VanDerWaalsContact CA-O 3.27Å; I280-I300 WeakPolarHBondContact CA-O 3.33Å; I280-I300 HydrophobicContact CG1-CB 4.2Å; I280-I300 HydrophobicContact CG1-CG2 3.99Å; I280-A302 HydrophobicContact CG2-CB 4.49Å
281I95.5Very high93.2Very high10 Ų1055.4 Ų55.45%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-117.8-18.9178.5-162.6171.5000112.7G247 E248 S249 I264 P266 I297 R298 I300G247-I281 VanDerWaalsContact O-CD1 3.3Å; G247-I281 WeakPolarHBondContact O-CD1 3.48Å; G247-I281 WeakPolarHBondContact O-CG1 3.22Å; E248-I281 WeakPolarHBondContact CA-O 3.45Å; E248-I281 HydrophobicContact CB-CG1 4.06Å; E248-I281 WeakPolarHBondContact CB-O 3.32Å; S249-I281 PolarHBondContact N-O 3.41Å; I264-I281 HydrophobicContact CG2-CD1 4.3Å; I264-I281 HydrophobicContact CG2-CG1 4.37Å; P266-I281 HydrophobicContact CB-CD1 4.08Å; P266-I281 HydrophobicContact CG-CD1 3.7Å; P266-I281 VanDerWaalsContact N-CD1 3.35Å; I281-I297 HydrophobicContact CG2-CG2 3.66Å; I281-R298 WeakPolarHBondContact CD1-O 3.5Å; I281-I300 PolarHBondContact N-O 2.85Å
282V96.2Very high93.5Very high1 Ų151.2 Ų51.21%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-134.8140.8175.7177.80000109.4S249 V253 I264 I280 V286 I297 T301 A302S249-V282 WeakPolarHBondContact O-CA 3.32Å; V253-V282 HydrophobicContact CB-CG1 3.84Å; V253-V282 HydrophobicContact CG2-CG1 3.34Å; V253-V282 HydrophobicContact CG2-CG2 4.33Å; I264-V282 HydrophobicContact CD1-CG2 3.71Å; I264-V282 HydrophobicContact CG2-CG2 4.16Å; I280-V282 VanDerWaalsContact CG2-O 3.27Å; I280-V282 WeakPolarHBondContact CG2-O 3.39Å; V282-V286 HydrophobicContact CB-CG2 4.35Å; V282-V286 HydrophobicContact CG1-CG2 3.28Å; V282-I297 HydrophobicContact CB-CG2 4.48Å; V282-I297 HydrophobicContact CG2-CD1 4.39Å; V282-I297 HydrophobicContact CG2-CG2 3.82Å; V282-T301 HydrophobicContact CB-CG2 4.19Å; V282-T301 WeakPolarHBondContact O-CA 3.38Å; V282-A302 PolarHBondContact O-N 2.92Å; V282-A302 VanDerWaalsContact O-N 3.13Å
283G96.3Very high94Very high12 Ų1245.9 Ų45.912%0.12425%0.251CS..  trans-69.4-149178.300000115S249 N250 D251 A302S249-G283 PolarHBondContact O-N 2.82Å; N250-G283 PolarHBondContact O-N 3.23Å; D251-G283 WeakPolarHBondContact OD1-CA 3.46Å; G283-A302 PolarHBondContact O-N 3.37Å
284N97.9Very high94.3Very high57 Ų5745 Ų4531%0.30524%0.236SC..SBendtrans-86.8162.9-170-57-65.5000113.4D251 Y252 V286 A302 E303D251-N284 WeakPolarHBondContact CA-O 3.43Å; D251-N284 HydrophobicContact CB-CB 4.29Å; D251-N284 WeakPolarHBondContact CB-O 3.26Å; D251-N284 WeakPolarHBondContact OD1-CB 3.15Å; D251-N284 PolarHBondContact OD1-N 2.77Å; D251-N284 PolarHBondContact OD1-ND2 3.48Å; Y252-N284 PolarHBondContact N-O 3.44Å; N284-V286 PolarHBondContact O-N 3.29Å; N284-V286 VanDerWaalsContact O-N 3.11Å; N284-A302 WeakPolarHBondContact OD1-CB 3.26Å; N284-E303 CarbonylContact C-O 3.25Å; N284-E303 VanDerWaalsContact CA-O 3.3Å; N284-E303 WeakPolarHBondContact CA-O 3.27Å; N284-E303 WeakPolarHBondContact OD1-CB 3.02Å; N284-E303 PolarHBondContact OD1-N 3.49Å
285A97.2Very high94.6Very high9 Ų941.3 Ų41.37%0.07422%0.221CC..SBendtrans53.535.2167.900000114.6Y252 Y288 E303 R304 V307Y252-A285 HydrophobicContact CD1-CB 3.61Å; Y252-A285 HydrophobicContact CE1-CB 3.58Å; A285-Y288 WeakPolarHBondContact O-CB 3.41Å; A285-Y288 PolarHBondContact O-N 3.22Å; A285-E303 PolarHBondContact N-O 3.47Å; A285-R304 WeakPolarHBondContact CA-O 3.27Å; A285-R304 HydrophobicContact CB-CB 4.45Å; A285-V307 HydrophobicContact CB-CG1 4.12Å
286V98.1Very high94.8Very high0 Ų037 Ų370%020%0.202CC..THydrogen-bonded Turntrans-59.6137.7172.4177.90000109.6V253 V282 N284 Y288 I297 T301 F305 C306V253-V286 HydrophobicContact CB-CG1 4.19Å; V253-V286 HydrophobicContact CB-CG2 4.28Å; V253-V286 HydrophobicContact CG1-CG1 4.48Å; V253-V286 CarbonylContact O-C 3.54Å; V253-V286 WeakPolarHBondContact O-CA 3.26Å; V282-V286 HydrophobicContact CB-CG2 4.35Å; V282-V286 HydrophobicContact CG1-CG2 3.28Å; N284-V286 PolarHBondContact O-N 3.29Å; N284-V286 VanDerWaalsContact O-N 3.11Å; V286-Y288 PolarHBondContact O-N 3.07Å; V286-I297 HydrophobicContact CG1-CD1 3.78Å; V286-T301 HydrophobicContact CG2-CG2 4.26Å; V286-F305 HydrophobicContact CB-CD2 3.76Å; V286-F305 HydrophobicContact CB-CE2 4.3Å; V286-F305 HydrophobicContact CG1-CD2 3.85Å; V286-F305 HydrophobicContact CG1-CE2 3.86Å; V286-F305 HydrophobicContact CG2-CD2 4.46Å; V286-C306 WeakPolarHBondContact O-CA 3.45Å; V286-C306 PolarHBondContact O-N 3.49Å
287L98.2Very high95Very high0 Ų036.9 Ų36.90%020%0.201CC..THydrogen-bonded Turntrans58.330.1-176.8-63.4173.3000114.2V253 G254 L257 G289 A290 A295 C306 A312V253-L287 PolarHBondContact O-N 3.01Å; G254-L287 WeakPolarHBondContact O-CA 3.26Å; L257-L287 HydrophobicContact CB-CD2 3.86Å; L257-L287 HydrophobicContact CD2-CD2 3.62Å; L257-L287 HydrophobicContact CG-CD2 4.38Å; L287-G289 PolarHBondContact O-N 3.06Å; L287-A290 HydrophobicContact CB-CB 3.95Å; L287-A290 HydrophobicContact CD2-CB 3.99Å; L287-A290 WeakPolarHBondContact O-CB 3.32Å; L287-A290 PolarHBondContact O-N 2.9Å; L287-A290 VanDerWaalsContact O-N 3.1Å; L287-A295 HydrophobicContact CD1-CB 3.99Å; L287-A295 HydrophobicContact CD2-CB 4.1Å; L287-A295 HydrophobicContact CG-CB 4.34Å; L287-C306 VanDerWaalsContact CD1-SG 3.6Å; L287-A312 HydrophobicContact CD1-CB 4.39Å; L287-A312 HydrophobicContact CD2-CB 4.22Å
288Y98.1Very high95.3Very high101 Ų10136.8 Ų36.840%0.39620%0.198SC..THydrogen-bonded Turntrans-56.1113.1176.8172.9-142.4000111.4K255 G256 A285 V286 A290 V307 R308K255-Y288 HydrophobicContact CD-CD1 4.3Å; K255-Y288 HydrophobicContact CG-CD1 4.19Å; G256-Y288 PolarHBondContact N-O 3.33Å; A285-Y288 WeakPolarHBondContact O-CB 3.41Å; A285-Y288 PolarHBondContact O-N 3.22Å; V286-Y288 PolarHBondContact O-N 3.07Å; Y288-A290 VanDerWaalsContact C-N 3.32Å; Y288-A290 PolarHBondContact O-N 3.3Å; Y288-V307 VanDerWaalsContact CA-O 3.3Å; Y288-V307 WeakPolarHBondContact CA-O 3.48Å; Y288-V307 HydrophobicContact CD2-CG1 3.73Å; Y288-V307 HydrophobicContact CG-CG1 4.14Å; Y288-R308 HydrophobicContact CD2-CB 4.46Å; Y288-R308 HydrophobicContact CE2-CB 4.45Å
289G96.9Very high95.4Very high25 Ų2531.2 Ų31.226%0.25817%0.172SC..THydrogen-bonded Turntrans71.518.1178.300000115.2L287 V307 R308L287-G289 PolarHBondContact O-N 3.06Å; G289-V307 PolarHBondContact N-O 3.11Å; G289-R308 VanDerWaalsContact CA-O 3.28Å; G289-R308 WeakPolarHBondContact CA-O 3.24Å
290A81.3Confident95.5Very high0 Ų029.3 Ų29.30%016%0.162CC..  trans-60.1140.7-172.200000113.1L257 L287 Y288 N309 S310 G311 A312L257-A290 HydrophobicContact CB-CB 3.97Å; L287-A290 HydrophobicContact CB-CB 3.95Å; L287-A290 HydrophobicContact CD2-CB 3.99Å; L287-A290 WeakPolarHBondContact O-CB 3.32Å; L287-A290 PolarHBondContact O-N 2.9Å; L287-A290 VanDerWaalsContact O-N 3.1Å; Y288-A290 VanDerWaalsContact C-N 3.32Å; Y288-A290 PolarHBondContact O-N 3.3Å; A290-N309 PolarHBondContact O-OD1 2.93Å; A290-S310 CarbonylContact O-C 3.34Å; A290-S310 VanDerWaalsContact O-CA 3.32Å; A290-S310 WeakPolarHBondContact O-CA 3.39Å; A290-S310 WeakPolarHBondContact O-CB 3.27Å; A290-S310 PolarHBondContact O-N 2.91Å; A290-G311 PolarHBondContact O-N 3.37Å; A290-A312 HydrophobicContact CB-CB 3.61Å
291T78.8Confident95.6Very high84 Ų8424.3 Ų24.352%0.51514%0.136SC..  trans-118.2-13.2-171.242.70000114.7L257L257-T291 PolarHBondContact O-N 2.77Å; L257-T291 PolarHBondContact O-OG1 2.9Å
292S95.5Very high95.6Very high47 Ų4724.5 Ų24.533%0.32914%0.139SC..EExtended strand (participates in β ladder)trans-173.4178.916258.30000109L257 S258 G259L257-S292 CarbonylContact C-O 3.59Å; L257-S292 VanDerWaalsContact CG-O 3.28Å; L257-S292 WeakPolarHBondContact CG-O 3.38Å; L257-S292 PolarHBondContact O-N 2.87Å; L257-S292 VanDerWaalsContact O-O 3.13Å; S258-S292 VanDerWaalsContact C-OG 3.22Å; G259-S292 VanDerWaalsContact CA-OG 3.31Å; G259-S292 WeakPolarHBondContact CA-OG 3.27Å; G259-S292 PolarHBondContact N-O 2.78Å; G259-S292 VanDerWaalsContact N-O 3.15Å; G259-S292 PolarHBondContact N-OG 2.97Å; G259-S292 VanDerWaalsContact N-OG 3.08Å
293G96.6Very high95.6Very high16 Ų1628.9 Ų28.917%0.16516%0.16CC..EExtended strand (participates in β ladder)trans103.4-175.1175.800000113.8G260 A312 N313G260-G293 WeakPolarHBondContact O-CA 3.21Å; G293-A312 WeakPolarHBondContact O-CA 3.46Å; G293-N313 PolarHBondContact O-N 3.08Å
294K98.1Very high95.7Very high66 Ų6633 Ų3329%0.28717%0.172SC..EExtended strand (participates in β ladder)trans-128.5140.9-174.4-60.2-173.5-175.4-172.30111.8G260 T261 I262 F296 N313 E389G260-K294 PolarHBondContact O-N 3.04Å; T261-K294 CarbonylContact C-O 3.57Å; T261-K294 WeakPolarHBondContact CA-O 3.47Å; T261-K294 HydrophobicContact CG2-CB 4.18Å; I262-K294 PolarHBondContact N-O 3.27Å; K294-F296 HydrophobicContact CB-CD2 4.37Å; K294-F296 HydrophobicContact CB-CE2 3.71Å; K294-F296 HydrophobicContact CB-CZ 4.21Å; K294-F296 HydrophobicContact CD-CE2 3.81Å; K294-F296 HydrophobicContact CD-CZ 3.93Å; K294-F296 HydrophobicContact CG-CE2 4.36Å; K294-N313 CarbonylContact C-O 3.51Å; K294-N313 VanDerWaalsContact CA-O 3.27Å; K294-N313 WeakPolarHBondContact CA-O 3.43Å; K294-E389 WeakPolarHBondContact CD-OE1 3.43Å; K294-E389 IonicContact NZ-OE1 2.73Å; K294-E389 PolarHBondContact NZ-OE1 3.2Å; K294-E389 IonicContact NZ-OE2 3.68Å; K294-E389 PolarHBondContact NZ-OE2 3.3Å
295A98.2Very high95.7Very high0 Ų030.3 Ų30.30%016%0.157CC..EExtended strand (participates in β ladder)trans-135.9119.9171.300000112I262 L287 N313 S314 V315I262-A295 HydrophobicContact CB-CB 4.26Å; I262-A295 CarbonylContact O-C 3.58Å; I262-A295 WeakPolarHBondContact O-CA 3.45Å; L287-A295 HydrophobicContact CD1-CB 3.99Å; L287-A295 HydrophobicContact CD2-CB 4.1Å; L287-A295 HydrophobicContact CG-CB 4.34Å; A295-N313 PolarHBondContact N-O 3.49Å; A295-S314 WeakPolarHBondContact O-CA 3.48Å; A295-S314 WeakPolarHBondContact O-CB 2.99Å; A295-S314 PolarHBondContact O-OG 3.02Å; A295-V315 PolarHBondContact O-N 3.43Å; A295-V315 VanDerWaalsContact O-N 3.08Å
296F98.4Very high95.7Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-115.6110-176.7-66.2-66.1000109.2T261 I262 I263 I264 K294 V315 E389 F390 L393 T394T261-F296 HydrophobicContact CG2-CD2 4.34Å; T261-F296 HydrophobicContact CG2-CE2 4.42Å; I262-F296 PolarHBondContact O-N 3.11Å; I263-F296 WeakPolarHBondContact CA-O 3.32Å; I263-F296 HydrophobicContact CG1-CD2 4.48Å; I264-F296 PolarHBondContact N-O 2.93Å; K294-F296 HydrophobicContact CB-CD2 4.37Å; K294-F296 HydrophobicContact CB-CE2 3.71Å; K294-F296 HydrophobicContact CB-CZ 4.21Å; K294-F296 HydrophobicContact CD-CE2 3.81Å; K294-F296 HydrophobicContact CD-CZ 3.93Å; K294-F296 HydrophobicContact CG-CE2 4.36Å; F296-V315 HydrophobicContact CD1-CB 3.97Å; F296-V315 HydrophobicContact CD1-CG2 3.92Å; F296-V315 HydrophobicContact CE1-CB 4.33Å; F296-V315 HydrophobicContact CE1-CG2 3.75Å; F296-E389 HydrophobicContact CE1-CB 4.4Å; F296-E389 HydrophobicContact CE1-CG 4.23Å; F296-E389 HydrophobicContact CE2-CG 3.9Å; F296-E389 HydrophobicContact CZ-CB 4.14Å; F296-E389 HydrophobicContact CZ-CG 3.56Å; F296-E389 WeakPolarHBondContact CZ-OE2 3.36Å; F296-F390 HydrophobicContact CB-CD2 3.88Å; F296-F390 HydrophobicContact CB-CE2 4.47Å; F296-F390 HydrophobicContact CD1-CB 3.83Å; F296-F390 AromaticContact CD1-CD2 3.89Å; F296-F390 HydrophobicContact CD1-CD2 3.89Å; F296-F390 HydrophobicContact CD1-CG 4.35Å; F296-F390 HydrophobicContact CE1-CB 4.23Å; F296-F390 HydrophobicContact CG-CD2 4.34Å; F296-L393 HydrophobicContact CD2-CD1 3.47Å; F296-L393 VanDerWaalsContact CD2-CD1 3.47Å; F296-L393 HydrophobicContact CE2-CD1 3.61Å; F296-L393 HydrophobicContact CG-CD1 4.22Å; F296-L393 HydrophobicContact CZ-CD1 4.46Å; F296-T394 HydrophobicContact CB-CG2 4.13Å
297I98Very high95.7Very high0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans-122.8107-170.7-56.9172.6000110.2I281 V282 V286 G299 T301 F305 V315 V316I281-I297 HydrophobicContact CG2-CG2 3.66Å; V282-I297 HydrophobicContact CB-CG2 4.48Å; V282-I297 HydrophobicContact CG2-CD1 4.39Å; V282-I297 HydrophobicContact CG2-CG2 3.82Å; V286-I297 HydrophobicContact CG1-CD1 3.78Å; I297-G299 PolarHBondContact O-N 3.26Å; I297-G299 VanDerWaalsContact O-N 3.07Å; I297-T301 HydrophobicContact CD1-CG2 3.93Å; I297-T301 HydrophobicContact CG2-CG2 4.14Å; I297-F305 HydrophobicContact CD1-CE2 4.28Å; I297-V315 PolarHBondContact N-O 3.37Å; I297-V316 HydrophobicContact CB-CG2 4.14Å; I297-V316 HydrophobicContact CG2-CG2 4.29Å; I297-V316 WeakPolarHBondContact O-CA 3.24Å
298R97.7Very high95.6Very high56 Ų5637.2 Ų37.221%0.21118%0.182CC..EExtended strand (participates in β ladder)trans-83.181.3175.6-176.1-176.4162.7-165.7-5.6111.1I264 P266 S276 I281 E317 F390 T394 G395I264-R298 PolarHBondContact O-N 2.87Å; P266-R298 WeakPolarHBondContact CD-O 3.3Å; S276-R298 WeakPolarHBondContact CB-O 3.49Å; S276-R298 PolarHBondContact OG-NE 2.72Å; I281-R298 WeakPolarHBondContact CD1-O 3.5Å; R298-E317 WeakPolarHBondContact CG-OE1 3.23Å; R298-F390 HydrophobicContact CB-CE2 4.36Å; R298-F390 HydrophobicContact CB-CZ 4.13Å; R298-T394 HydrophobicContact CB-CG2 4.27Å; R298-T394 WeakPolarHBondContact CD-O 3.49Å; R298-T394 PolarHBondContact NH1-O 3.3Å; R298-T394 VanDerWaalsContact NH1-O 3.08Å; R298-G395 PolarHBondContact NH1-O 2.88Å
299G96.2Very high95.6Very high0 Ų032.4 Ų32.40%016%0.164CC..EExtended strand (participates in β ladder)trans159.8-165.717000000111.7S276 I297 V316 E317 G318S276-G299 VanDerWaalsContact O-CA 3.28Å; S276-G299 WeakPolarHBondContact O-CA 3.47Å; I297-G299 PolarHBondContact O-N 3.26Å; I297-G299 VanDerWaalsContact O-N 3.07Å; G299-V316 VanDerWaalsContact O-CG2 3.28Å; G299-V316 WeakPolarHBondContact O-CG2 3.48Å; G299-E317 WeakPolarHBondContact O-CB 3.41Å; G299-E317 PolarHBondContact O-N 2.76Å; G299-G318 PolarHBondContact O-N 2.93Å
300I96.9Very high95.5Very high25 Ų2533.7 Ų33.713%0.12817%0.169CC..EExtended strand (participates in β ladder)trans-87.1136.4177.1-57.1178.2000109.7N279 I280 I281 G318N279-I300 WeakPolarHBondContact O-CB 3.28Å; N279-I300 PolarHBondContact O-N 3.34Å; I280-I300 CarbonylContact C-O 3.46Å; I280-I300 VanDerWaalsContact CA-O 3.27Å; I280-I300 WeakPolarHBondContact CA-O 3.33Å; I280-I300 HydrophobicContact CG1-CB 4.2Å; I280-I300 HydrophobicContact CG1-CG2 3.99Å; I281-I300 PolarHBondContact N-O 2.85Å; I300-G318 WeakPolarHBondContact CA-O 3.43Å
301T97.1Very high96.2Very high1 Ų134.9 Ų34.91%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-94.914916656.60000109.6V282 V286 I297 F305 V316 G318 V319 G320V282-T301 HydrophobicContact CB-CG2 4.19Å; V282-T301 WeakPolarHBondContact O-CA 3.38Å; V286-T301 HydrophobicContact CG2-CG2 4.26Å; I297-T301 HydrophobicContact CD1-CG2 3.93Å; I297-T301 HydrophobicContact CG2-CG2 4.14Å; T301-F305 HydrophobicContact CG2-CD2 3.71Å; T301-F305 HydrophobicContact CG2-CE2 4.02Å; T301-F305 WeakPolarHBondContact OG1-CD2 3.36Å; T301-V316 HydrophobicContact CG2-CG2 3.61Å; T301-G318 PolarHBondContact N-O 3.1Å; T301-G318 PolarHBondContact OG1-O 2.7Å; T301-G318 VanDerWaalsContact OG1-O 3.13Å; T301-V319 CarbonylContact O-C 3.53Å; T301-V319 WeakPolarHBondContact O-CA 3.38Å; T301-G320 PolarHBondContact O-N 2.84Å
302A95.9Very high97.1Very high15 Ų1530.9 Ų30.912%0.12416%0.156CC..  trans-75-143.1177.600000111.8I280 V282 G283 N284 G320I280-A302 HydrophobicContact CG2-CB 4.49Å; V282-A302 PolarHBondContact O-N 2.92Å; V282-A302 VanDerWaalsContact O-N 3.13Å; G283-A302 PolarHBondContact O-N 3.37Å; N284-A302 WeakPolarHBondContact OD1-CB 3.26Å; A302-G320 WeakPolarHBondContact O-CA 3.25Å; A302-G320 PolarHBondContact O-N 2.86Å
303E96.8Very high97.2Very high92 Ų9230.5 Ų30.543%0.4315%0.15SC..THydrogen-bonded Turntrans-76.6157.3-173.2-59-177.6-179.200113.1N284 A285 F305 D321N284-E303 CarbonylContact C-O 3.25Å; N284-E303 VanDerWaalsContact CA-O 3.3Å; N284-E303 WeakPolarHBondContact CA-O 3.27Å; N284-E303 WeakPolarHBondContact OD1-CB 3.02Å; N284-E303 PolarHBondContact OD1-N 3.49Å; A285-E303 PolarHBondContact N-O 3.47Å; E303-F305 VanDerWaalsContact C-N 3.26Å; E303-F305 PolarHBondContact O-N 3.4Å; E303-D321 CarbonylContact C-O 3.38Å; E303-D321 WeakPolarHBondContact CA-O 3.28Å; E303-D321 HydrophobicContact CG-CB 4.39Å
304R97.1Very high97.2Very high99 Ų9929.8 Ų29.837%0.37414%0.143SC..THydrogen-bonded Turntrans60.129.1170.6-61.3173.6176.2-89-7.6114.6A285 C306 V307 D321 H322 E325A285-R304 WeakPolarHBondContact CA-O 3.27Å; A285-R304 HydrophobicContact CB-CB 4.45Å; R304-C306 PolarHBondContact O-N 2.9Å; R304-V307 HydrophobicContact CB-CB 4.07Å; R304-V307 HydrophobicContact CB-CG1 4.06Å; R304-V307 VanDerWaalsContact O-CB 3.32Å; R304-V307 WeakPolarHBondContact O-CB 3.41Å; R304-V307 WeakPolarHBondContact O-CG1 3.48Å; R304-V307 PolarHBondContact O-N 3.14Å; R304-V307 VanDerWaalsContact O-N 3.13Å; R304-D321 PolarHBondContact N-O 3.35Å; R304-H322 WeakPolarHBondContact CA-O 3.33Å; R304-H322 HydrophobicContact CG-CB 3.84Å; R304-E325 IonicContact CZ-OE2 2.79Å; R304-E325 IonicContact NH1-OE1 3.42Å; R304-E325 IonicContact NH1-OE2 2.68Å; R304-E325 PolarHBondContact NH1-OE2 3.09Å
305F98.1Very high97.2Very high0 Ų026.6 Ų26.60%013%0.129CC..THydrogen-bonded Turntrans-53.7132.8170.2176.3-104.4000110.9V286 I297 T301 E303 V307 S314 V316 V319 C324 V332V286-F305 HydrophobicContact CB-CD2 3.76Å; V286-F305 HydrophobicContact CB-CE2 4.3Å; V286-F305 HydrophobicContact CG1-CD2 3.85Å; V286-F305 HydrophobicContact CG1-CE2 3.86Å; V286-F305 HydrophobicContact CG2-CD2 4.46Å; I297-F305 HydrophobicContact CD1-CE2 4.28Å; T301-F305 HydrophobicContact CG2-CD2 3.71Å; T301-F305 HydrophobicContact CG2-CE2 4.02Å; T301-F305 WeakPolarHBondContact OG1-CD2 3.36Å; E303-F305 VanDerWaalsContact C-N 3.26Å; E303-F305 PolarHBondContact O-N 3.4Å; F305-V307 PolarHBondContact O-N 3.39Å; F305-S314 WeakPolarHBondContact CZ-OG 3.42Å; F305-V316 HydrophobicContact CD1-CG1 4.48Å; F305-V316 HydrophobicContact CE1-CG1 3.78Å; F305-V316 HydrophobicContact CE2-CB 4.42Å; F305-V316 HydrophobicContact CE2-CG1 4.39Å; F305-V316 HydrophobicContact CZ-CB 4.07Å; F305-V316 HydrophobicContact CZ-CG1 3.75Å; F305-V319 HydrophobicContact CB-CB 4.45Å; F305-V319 HydrophobicContact CB-CG1 3.47Å; F305-V319 VanDerWaalsContact CB-CG1 3.47Å; F305-V319 HydrophobicContact CB-CG2 4.16Å; F305-V319 HydrophobicContact CD1-CG1 4.19Å; F305-V319 HydrophobicContact CD1-CG2 3.56Å; F305-V319 HydrophobicContact CE1-CG2 4.08Å; F305-V319 HydrophobicContact CG-CG1 4.14Å; F305-V319 HydrophobicContact CG-CG2 3.92Å; F305-C324 PolarHBondContact O-N 3.48Å; F305-V332 HydrophobicContact CE1-CG1 3.6Å; F305-V332 HydrophobicContact CZ-CG1 4.37Å
306C97.7Very high97.2Very high0 Ų026.6 Ų26.60%013%0.129CC..THydrogen-bonded Turntrans58.228.4-176.4-72.10000114.8V286 L287 R304 R308 N309 V332V286-C306 WeakPolarHBondContact O-CA 3.45Å; V286-C306 PolarHBondContact O-N 3.49Å; L287-C306 VanDerWaalsContact CD1-SG 3.6Å; R304-C306 PolarHBondContact O-N 2.9Å; C306-R308 PolarHBondContact O-N 2.84Å; C306-N309 HydrophobicContact CB-CB 3.89Å; C306-N309 WeakPolarHBondContact O-CB 3.47Å; C306-N309 PolarHBondContact O-N 2.8Å; C306-V332 HydrophobicContact CB-CG2 4.38Å
307V97.2Very high97.2Very high10 Ų1026.7 Ų26.76%0.06113%0.129CC..THydrogen-bonded Turntrans-60.4123.4174.458.80000110.7A285 Y288 G289 R304 F305 N309 E325A285-V307 HydrophobicContact CB-CG1 4.12Å; Y288-V307 VanDerWaalsContact CA-O 3.3Å; Y288-V307 WeakPolarHBondContact CA-O 3.48Å; Y288-V307 HydrophobicContact CD2-CG1 3.73Å; Y288-V307 HydrophobicContact CG-CG1 4.14Å; G289-V307 PolarHBondContact N-O 3.11Å; R304-V307 HydrophobicContact CB-CB 4.07Å; R304-V307 HydrophobicContact CB-CG1 4.06Å; R304-V307 VanDerWaalsContact O-CB 3.32Å; R304-V307 WeakPolarHBondContact O-CB 3.41Å; R304-V307 WeakPolarHBondContact O-CG1 3.48Å; R304-V307 PolarHBondContact O-N 3.14Å; R304-V307 VanDerWaalsContact O-N 3.13Å; F305-V307 PolarHBondContact O-N 3.39Å; V307-N309 PolarHBondContact O-N 3.17Å; V307-E325 CarbonylContact C-O 3.6Å; V307-E325 VanDerWaalsContact CA-O 3.27Å; V307-E325 WeakPolarHBondContact CA-O 3.49Å; V307-E325 HydrophobicContact CG2-CB 4.34Å
308R97Very high97.1Very high145 Ų14526.7 Ų26.755%0.54713%0.129SC..THydrogen-bonded Turntrans56.427-173-67.5-17361.7120.82.3115Y288 G289 C306 S310 E325 Y326Y288-R308 HydrophobicContact CD2-CB 4.46Å; Y288-R308 HydrophobicContact CE2-CB 4.45Å; G289-R308 VanDerWaalsContact CA-O 3.28Å; G289-R308 WeakPolarHBondContact CA-O 3.24Å; C306-R308 PolarHBondContact O-N 2.84Å; R308-S310 PolarHBondContact O-N 3.31Å; R308-S310 PolarHBondContact O-OG 3.37Å; R308-E325 PolarHBondContact N-O 2.95Å; R308-Y326 WeakPolarHBondContact CA-O 3.38Å; R308-Y326 HydrophobicContact CG-CG 4.42Å
309N97.6Very high97.1Very high0 Ų024.2 Ų24.20%012%0.12CC..  trans-58.6127.7173-177.716.6000110.2A290 C306 V307 G311 A312 M327 T328 G329A290-N309 PolarHBondContact O-OD1 2.93Å; C306-N309 HydrophobicContact CB-CB 3.89Å; C306-N309 WeakPolarHBondContact O-CB 3.47Å; C306-N309 PolarHBondContact O-N 2.8Å; V307-N309 PolarHBondContact O-N 3.17Å; N309-G311 PolarHBondContact OD1-N 3.42Å; N309-G311 VanDerWaalsContact OD1-N 3.12Å; N309-A312 PolarHBondContact ND2-O 3.05Å; N309-A312 PolarHBondContact OD1-N 3.14Å; N309-M327 HydrophobicContact CB-CG 4.11Å; N309-M327 CarbonylContact O-C 3.27Å; N309-M327 WeakPolarHBondContact O-CA 3.45Å; N309-M327 WeakPolarHBondContact O-CG 3.17Å; N309-T328 PolarHBondContact O-N 2.76Å; N309-T328 PolarHBondContact O-OG1 3.01Å; N309-G329 CarbonylContact C-O 3.52Å; N309-G329 PolarHBondContact O-N 3.28Å; N309-G329 VanDerWaalsContact O-N 3.15Å
310S96.1Very high97Very high52 Ų5225.1 Ų25.136%0.36413%0.13SC..BIsolated β-bridgetrans-119.14.5-175.7-690000112.9A290 R308 T328A290-S310 CarbonylContact O-C 3.34Å; A290-S310 VanDerWaalsContact O-CA 3.32Å; A290-S310 WeakPolarHBondContact O-CA 3.39Å; A290-S310 WeakPolarHBondContact O-CB 3.27Å; A290-S310 PolarHBondContact O-N 2.91Å; R308-S310 PolarHBondContact O-N 3.31Å; R308-S310 PolarHBondContact O-OG 3.37Å; S310-T328 WeakPolarHBondContact CA-OG1 3.35Å; S310-T328 WeakPolarHBondContact CB-OG1 3.45Å; S310-T328 PolarHBondContact OG-OG1 3.14Å
311G94.8Very high97Very high24 Ų2426.3 Ų26.325%0.24714%0.136CC..SBendtrans173.6-7.7178.400000117.9A290 N309 G329A290-G311 PolarHBondContact O-N 3.37Å; N309-G311 PolarHBondContact OD1-N 3.42Å; N309-G311 VanDerWaalsContact OD1-N 3.12Å; G311-G329 PolarHBondContact N-O 3.45Å
312A97.3Very high97Very high0 Ų028.4 Ų28.40%015%0.146CC..  trans-79.4146.3-17900000112.5L257 L287 A290 G293 N309 G330L257-A312 HydrophobicContact CD2-CB 4.29Å; L287-A312 HydrophobicContact CD1-CB 4.39Å; L287-A312 HydrophobicContact CD2-CB 4.22Å; A290-A312 HydrophobicContact CB-CB 3.61Å; G293-A312 WeakPolarHBondContact O-CA 3.46Å; N309-A312 PolarHBondContact ND2-O 3.05Å; N309-A312 PolarHBondContact OD1-N 3.14Å; A312-G330 WeakPolarHBondContact O-CA 3.41Å
313N97.9Very high97.1Very high40 Ų4027.7 Ų27.721%0.21414%0.14CC..EExtended strand (participates in β ladder)trans-98.6138.3174.3-63.1-18.9000110.3G293 K294 A295 F331 L386G293-N313 PolarHBondContact O-N 3.08Å; K294-N313 CarbonylContact C-O 3.51Å; K294-N313 VanDerWaalsContact CA-O 3.27Å; K294-N313 WeakPolarHBondContact CA-O 3.43Å; A295-N313 PolarHBondContact N-O 3.49Å; N313-F331 CarbonylContact C-O 3.52Å; N313-F331 WeakPolarHBondContact CA-O 3.37Å; N313-F331 WeakPolarHBondContact OD1-CB 3.17Å; N313-F331 WeakPolarHBondContact OD1-CD2 3.34Å; N313-F331 PolarHBondContact OD1-N 2.94Å; N313-L386 HydrophobicContact CB-CD2 4.27Å
314S98Very high97.1Very high0 Ų023.3 Ų23.30%012%0.119CC..EExtended strand (participates in β ladder)trans-149.3147.2-178.2-170.50000113.8A295 F305 F331 V332 V333A295-S314 WeakPolarHBondContact O-CA 3.48Å; A295-S314 WeakPolarHBondContact O-CB 2.99Å; A295-S314 PolarHBondContact O-OG 3.02Å; F305-S314 WeakPolarHBondContact CZ-OG 3.42Å; S314-F331 PolarHBondContact N-O 3.18Å; S314-V332 CarbonylContact O-C 3.58Å; S314-V332 WeakPolarHBondContact O-CA 2.95Å; S314-V333 PolarHBondContact O-N 3.3Å
315V98.2Very high97Very high0 Ų019.3 Ų19.30%011%0.105CC..EExtended strand (participates in β ladder)trans-128130.8171.8-171.20000109.3A295 F296 I297 V333 L335 L386 F390A295-V315 PolarHBondContact O-N 3.43Å; A295-V315 VanDerWaalsContact O-N 3.08Å; F296-V315 HydrophobicContact CD1-CB 3.97Å; F296-V315 HydrophobicContact CD1-CG2 3.92Å; F296-V315 HydrophobicContact CE1-CB 4.33Å; F296-V315 HydrophobicContact CE1-CG2 3.75Å; I297-V315 PolarHBondContact N-O 3.37Å; V315-V333 WeakPolarHBondContact CA-O 3.37Å; V315-V333 HydrophobicContact CB-CB 4.36Å; V315-V333 HydrophobicContact CG1-CB 4.06Å; V315-V333 HydrophobicContact CG1-CG1 4.2Å; V315-V333 HydrophobicContact CG2-CB 4.01Å; V315-V333 HydrophobicContact CG2-CG2 4.28Å; V315-L335 HydrophobicContact CG1-CD1 3.96Å; V315-L335 HydrophobicContact CG1-CG 4.14Å; V315-L386 HydrophobicContact CG2-CB 3.92Å; V315-L386 WeakPolarHBondContact CG2-O 2.96Å; V315-F390 HydrophobicContact CB-CB 3.8Å; V315-F390 HydrophobicContact CB-CD1 4.38Å; V315-F390 HydrophobicContact CB-CD2 3.84Å; V315-F390 HydrophobicContact CB-CG 3.75Å; V315-F390 HydrophobicContact CG1-CB 3.72Å; V315-F390 HydrophobicContact CG1-CD1 3.58Å; V315-F390 HydrophobicContact CG1-CD2 3.92Å; V315-F390 HydrophobicContact CG1-CE1 4.14Å; V315-F390 HydrophobicContact CG1-CE2 4.44Å; V315-F390 HydrophobicContact CG1-CG 3.45Å; V315-F390 VanDerWaalsContact CG1-CG 3.45Å; V315-F390 HydrophobicContact CG2-CB 4.07Å
316V98Very high96.9Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-142.3151.4-176.2680000111.7I297 G299 T301 F305 G318 V319 V333 I334 L335I297-V316 HydrophobicContact CB-CG2 4.14Å; I297-V316 HydrophobicContact CG2-CG2 4.29Å; I297-V316 WeakPolarHBondContact O-CA 3.24Å; G299-V316 VanDerWaalsContact O-CG2 3.28Å; G299-V316 WeakPolarHBondContact O-CG2 3.48Å; T301-V316 HydrophobicContact CG2-CG2 3.61Å; F305-V316 HydrophobicContact CD1-CG1 4.48Å; F305-V316 HydrophobicContact CE1-CG1 3.78Å; F305-V316 HydrophobicContact CE2-CB 4.42Å; F305-V316 HydrophobicContact CE2-CG1 4.39Å; F305-V316 HydrophobicContact CZ-CB 4.07Å; F305-V316 HydrophobicContact CZ-CG1 3.75Å; V316-G318 VanDerWaalsContact CG2-O 3.29Å; V316-G318 WeakPolarHBondContact CG2-O 3.43Å; V316-V319 HydrophobicContact CG1-CG2 3.6Å; V316-V333 PolarHBondContact N-O 3.15Å; V316-I334 HydrophobicContact CG1-CB 4.36Å; V316-I334 HydrophobicContact CG1-CG1 3.91Å; V316-I334 HydrophobicContact CG1-CG2 4.26Å; V316-I334 WeakPolarHBondContact O-CA 3.41Å; V316-L335 PolarHBondContact O-N 3.42Å
317E97.4Very high96.8Very high2 Ų225 Ų251%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-83.1-17-179.7-58.5-171.8152.500113.7S276 Q277 R298 G299 G336 F390 S396S276-E317 WeakPolarHBondContact CB-OE2 3.48Å; S276-E317 PolarHBondContact OG-OE1 3.33Å; S276-E317 PolarHBondContact OG-OE2 3.49Å; Q277-E317 WeakPolarHBondContact CA-OE2 3.46Å; Q277-E317 HydrophobicContact CB-CB 4.3Å; Q277-E317 PolarHBondContact N-OE2 3.47Å; R298-E317 WeakPolarHBondContact CG-OE1 3.23Å; G299-E317 WeakPolarHBondContact O-CB 3.41Å; G299-E317 PolarHBondContact O-N 2.76Å; E317-G336 WeakPolarHBondContact O-CA 3.44Å; E317-G336 PolarHBondContact O-N 2.78Å; E317-F390 HydrophobicContact CG-CE1 4.24Å; E317-F390 HydrophobicContact CG-CZ 3.95Å; E317-S396 WeakPolarHBondContact OE1-CB 3.35Å; E317-S396 PolarHBondContact OE1-OG 3.06Å
318G96Very high96.6Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-175.2162.7173.500000113.1G299 I300 T301 V316 T337G299-G318 PolarHBondContact O-N 2.93Å; I300-G318 WeakPolarHBondContact CA-O 3.43Å; T301-G318 PolarHBondContact N-O 3.1Å; T301-G318 PolarHBondContact OG1-O 2.7Å; T301-G318 VanDerWaalsContact OG1-O 3.13Å; V316-G318 VanDerWaalsContact CG2-O 3.29Å; V316-G318 WeakPolarHBondContact CG2-O 3.43Å; G318-T337 CarbonylContact C-O 3.47Å; G318-T337 VanDerWaalsContact CA-O 3.32Å; G318-T337 WeakPolarHBondContact CA-O 3.4Å
319V97Very high96.4Very high4 Ų421.4 Ų21.42%0.02412%0.124CC..EExtended strand (participates in β ladder)trans-139.8140.2-175.51790000110.2T301 F305 V316 I334 T337 V338 G339T301-V319 CarbonylContact O-C 3.53Å; T301-V319 WeakPolarHBondContact O-CA 3.38Å; F305-V319 HydrophobicContact CB-CB 4.45Å; F305-V319 HydrophobicContact CB-CG1 3.47Å; F305-V319 VanDerWaalsContact CB-CG1 3.47Å; F305-V319 HydrophobicContact CB-CG2 4.16Å; F305-V319 HydrophobicContact CD1-CG1 4.19Å; F305-V319 HydrophobicContact CD1-CG2 3.56Å; F305-V319 HydrophobicContact CE1-CG2 4.08Å; F305-V319 HydrophobicContact CG-CG1 4.14Å; F305-V319 HydrophobicContact CG-CG2 3.92Å; V316-V319 HydrophobicContact CG1-CG2 3.6Å; V319-I334 HydrophobicContact CB-CD1 4.43Å; V319-I334 HydrophobicContact CG2-CD1 3.73Å; V319-I334 HydrophobicContact CG2-CG1 4.05Å; V319-I334 HydrophobicContact CG2-CG2 4.09Å; V319-T337 PolarHBondContact N-O 3.33Å; V319-V338 CarbonylContact O-C 3.31Å; V319-V338 VanDerWaalsContact O-CA 3.26Å; V319-V338 WeakPolarHBondContact O-CA 3.46Å; V319-G339 PolarHBondContact O-N 3.36Å
320G96.1Very high96.3Very high19 Ų1922 Ų2220%0.19613%0.13CC..  trans-71.7-156.6170.800000113.8T301 A302 G339T301-G320 PolarHBondContact O-N 2.84Å; A302-G320 WeakPolarHBondContact O-CA 3.25Å; A302-G320 PolarHBondContact O-N 2.86Å; G320-G339 VanDerWaalsContact O-CA 3.23Å; G320-G339 WeakPolarHBondContact O-CA 3.41Å; G320-G339 PolarHBondContact O-N 3.16Å
321D96.8Very high96.3Very high50 Ų5021.8 Ų21.827%0.26712%0.123SC..THydrogen-bonded Turntrans-69.8155.4179.9-74.14.5000111.5E303 R304 G323 G339 R340E303-D321 CarbonylContact C-O 3.38Å; E303-D321 WeakPolarHBondContact CA-O 3.28Å; E303-D321 HydrophobicContact CG-CB 4.39Å; R304-D321 PolarHBondContact N-O 3.35Å; D321-G323 VanDerWaalsContact C-N 3.29Å; D321-G323 PolarHBondContact O-N 2.75Å; D321-G339 WeakPolarHBondContact OD1-CA 3.33Å; D321-R340 PolarHBondContact OD1-N 3.41Å
322H96.8Very high96.4Very high44 Ų4420.6 Ų20.620%0.20411%0.111CC..THydrogen-bonded Turntrans62.827.6176-49.9-68.1000115.3R304 C324 E325 R340 N341R304-H322 WeakPolarHBondContact CA-O 3.33Å; R304-H322 HydrophobicContact CG-CB 3.84Å; H322-C324 PolarHBondContact O-N 3.38Å; H322-E325 HydrophobicContact CB-CB 4.46Å; H322-E325 WeakPolarHBondContact O-CB 3.46Å; H322-E325 PolarHBondContact O-N 2.91Å; H322-R340 PolarHBondContact N-O 3.41Å; H322-N341 PolarHBondContact CE1-ND2 3.36Å; H322-N341 PolarHBondContact ND1-ND2 2.96Å; H322-N341 VanDerWaalsContact ND1-ND2 3.16Å
323G96.6Very high96.5Very high0 Ų020.6 Ų20.60%011%0.111CC..THydrogen-bonded Turntrans-57.9136.7172.900000112.2D321 E325 F342 A343D321-G323 VanDerWaalsContact C-N 3.29Å; D321-G323 PolarHBondContact O-N 2.75Å; G323-E325 PolarHBondContact O-N 3.13Å; G323-F342 WeakPolarHBondContact O-CD2 3.25Å; G323-A343 PolarHBondContact O-N 3Å
324C97Very high96.5Very high0 Ų018.7 Ų18.70%010%0.101CC..THydrogen-bonded Turntrans57.626.5-179.5-54.10000114.8F305 H322 Y326 M327 F342 V351F305-C324 PolarHBondContact O-N 3.48Å; H322-C324 PolarHBondContact O-N 3.38Å; C324-Y326 PolarHBondContact O-N 3.22Å; C324-M327 HydrophobicContact CB-CB 4.22Å; C324-M327 HydrophobicContact CB-SD 4Å; C324-M327 WeakPolarHBondContact O-CB 3.1Å; C324-M327 PolarHBondContact O-N 3.47Å; C324-F342 HydrophobicContact CB-CE1 4.32Å; C324-F342 HydrophobicContact CB-CZ 4.12Å; C324-V351 HydrophobicContact CB-CG2 4.18Å
325E95.9Very high96.4Very high15 Ų1519 Ų197%0.0710%0.102CC..THydrogen-bonded Turntrans-60.1130.3175.2-164.8-167.5-171.700110.9R304 V307 R308 H322 G323 M327 A344R304-E325 IonicContact CZ-OE2 2.79Å; R304-E325 IonicContact NH1-OE1 3.42Å; R304-E325 IonicContact NH1-OE2 2.68Å; R304-E325 PolarHBondContact NH1-OE2 3.09Å; V307-E325 CarbonylContact C-O 3.6Å; V307-E325 VanDerWaalsContact CA-O 3.27Å; V307-E325 WeakPolarHBondContact CA-O 3.49Å; V307-E325 HydrophobicContact CG2-CB 4.34Å; R308-E325 PolarHBondContact N-O 2.95Å; H322-E325 HydrophobicContact CB-CB 4.46Å; H322-E325 WeakPolarHBondContact O-CB 3.46Å; H322-E325 PolarHBondContact O-N 2.91Å; G323-E325 PolarHBondContact O-N 3.13Å; E325-M327 PolarHBondContact O-N 2.88Å; E325-M327 VanDerWaalsContact O-N 3.14Å; E325-A344 CarbonylContact C-O 3.48Å; E325-A344 VanDerWaalsContact CA-O 3.31Å; E325-A344 WeakPolarHBondContact CA-O 3.35Å; E325-A344 HydrophobicContact CG-CB 4.26Å; E325-A344 VanDerWaalsContact CG-O 3.3Å; E325-A344 WeakPolarHBondContact CG-O 3.4Å
326Y95.5Very high96.1Very high121 Ų12120.1 Ų20.148%0.47511%0.114SC..THydrogen-bonded Turntrans55.722.4-176.9-52.7-71.7000115.7R308 C324 T328 A344 G345R308-Y326 WeakPolarHBondContact CA-O 3.38Å; R308-Y326 HydrophobicContact CG-CG 4.42Å; C324-Y326 PolarHBondContact O-N 3.22Å; Y326-T328 PolarHBondContact O-N 3.13Å; Y326-A344 PolarHBondContact N-O 2.87Å; Y326-G345 WeakPolarHBondContact CA-O 3.3Å
327M96Very high95.8Very high0 Ų024.6 Ų24.60%014%0.141CC..  trans-62135.1174.7-179.2175.5179.300110.7N309 C324 E325 G329 G330 V332 M346 S347 G348 V351N309-M327 HydrophobicContact CB-CG 4.11Å; N309-M327 CarbonylContact O-C 3.27Å; N309-M327 WeakPolarHBondContact O-CA 3.45Å; N309-M327 WeakPolarHBondContact O-CG 3.17Å; C324-M327 HydrophobicContact CB-CB 4.22Å; C324-M327 HydrophobicContact CB-SD 4Å; C324-M327 WeakPolarHBondContact O-CB 3.1Å; C324-M327 PolarHBondContact O-N 3.47Å; E325-M327 PolarHBondContact O-N 2.88Å; E325-M327 VanDerWaalsContact O-N 3.14Å; M327-G329 WeakPolarHBondContact CE-O 3.33Å; M327-G330 WeakPolarHBondContact CE-O 3.32Å; M327-V332 HydrophobicContact CE-CG2 3.7Å; M327-V332 HydrophobicContact SD-CG2 4.13Å; M327-M346 HydrophobicContact CB-CG 4.02Å; M327-M346 CarbonylContact O-C 3.56Å; M327-M346 WeakPolarHBondContact O-CA 3.4Å; M327-M346 HydrophobicContact SD-CE 4.2Å; M327-S347 PolarHBondContact O-N 2.7Å; M327-G348 CarbonylContact C-O 3.59Å; M327-G348 PolarHBondContact O-N 3.3Å; M327-G348 VanDerWaalsContact O-N 3.16Å; M327-V351 HydrophobicContact CE-CG2 4.37Å; M327-V351 HydrophobicContact SD-CG2 3.78Å
328T93.2Very high95.7Very high66 Ų6625.7 Ų25.741%0.40515%0.148SC..EExtended strand (participates in β ladder)trans-123.1-14.6-176.754.60000112.9N309 S310 Y326 G348N309-T328 PolarHBondContact O-N 2.76Å; N309-T328 PolarHBondContact O-OG1 3.01Å; S310-T328 WeakPolarHBondContact CA-OG1 3.35Å; S310-T328 WeakPolarHBondContact CB-OG1 3.45Å; S310-T328 PolarHBondContact OG-OG1 3.14Å; Y326-T328 PolarHBondContact O-N 3.13Å; T328-G348 CarbonylContact C-O 3.56Å; T328-G348 CarbonylContact O-C 3.56Å; T328-G348 WeakPolarHBondContact O-CA 3.47Å
329G93.1Very high95.6Very high13 Ų1326.1 Ų26.113%0.13415%0.153CC..EExtended strand (participates in β ladder)trans-168.5171.2179.200000112.6N309 G311 M327N309-G329 CarbonylContact C-O 3.52Å; N309-G329 PolarHBondContact O-N 3.28Å; N309-G329 VanDerWaalsContact O-N 3.15Å; G311-G329 PolarHBondContact N-O 3.45Å; M327-G329 WeakPolarHBondContact CE-O 3.33Å
330G94.3Very high95.5Very high12 Ų1234.5 Ų34.512%0.12418%0.184CC..EExtended strand (participates in β ladder)trans95.9170.7-178.300000114.5A312 M327 G349 I350A312-G330 WeakPolarHBondContact O-CA 3.41Å; M327-G330 WeakPolarHBondContact CE-O 3.32Å; G330-G349 WeakPolarHBondContact O-CA 3.42Å; G330-I350 PolarHBondContact O-N 3.36Å
331F96.6Very high95.5Very high47 Ų4736.3 Ų36.321%0.20619%0.189CC..EExtended strand (participates in β ladder)trans-119.8120.2178.6-63.1-84.1000111.6N313 S314 I350 Y352 R382 L386N313-F331 CarbonylContact C-O 3.52Å; N313-F331 WeakPolarHBondContact CA-O 3.37Å; N313-F331 WeakPolarHBondContact OD1-CB 3.17Å; N313-F331 WeakPolarHBondContact OD1-CD2 3.34Å; N313-F331 PolarHBondContact OD1-N 2.94Å; S314-F331 PolarHBondContact N-O 3.18Å; F331-I350 WeakPolarHBondContact CA-O 3.32Å; F331-I350 HydrophobicContact CD1-CB 3.89Å; F331-I350 HydrophobicContact CD1-CD1 4.45Å; F331-I350 HydrophobicContact CD1-CG2 4.49Å; F331-I350 HydrophobicContact CE1-CB 4.07Å; F331-I350 HydrophobicContact CE1-CD1 3.76Å; F331-I350 HydrophobicContact CE1-CG1 4.33Å; F331-Y352 HydrophobicContact CD1-CE2 4.43Å; F331-R382 VanDerWaalsContact CZ-CZ 3.41Å; F331-L386 HydrophobicContact CB-CD1 4.05Å
332V97.8Very high95.5Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-119.7133.7-176.1176.20000110.2F305 C306 S314 M327 I334 I350 V351 Y352F305-V332 HydrophobicContact CE1-CG1 3.6Å; F305-V332 HydrophobicContact CZ-CG1 4.37Å; C306-V332 HydrophobicContact CB-CG2 4.38Å; S314-V332 CarbonylContact O-C 3.58Å; S314-V332 WeakPolarHBondContact O-CA 2.95Å; M327-V332 HydrophobicContact CE-CG2 3.7Å; M327-V332 HydrophobicContact SD-CG2 4.13Å; V332-I334 HydrophobicContact CG1-CD1 4.42Å; V332-I334 HydrophobicContact CG1-CG1 4.07Å; V332-I350 PolarHBondContact N-O 3.24Å; V332-V351 HydrophobicContact CB-CB 4.45Å; V332-V351 HydrophobicContact CB-CG1 3.97Å; V332-V351 HydrophobicContact CB-CG2 4.19Å; V332-V351 HydrophobicContact CG1-CG1 3.99Å; V332-V351 CarbonylContact O-C 2.8Å; V332-V351 VanDerWaalsContact O-CA 3.28Å; V332-V351 WeakPolarHBondContact O-CA 3.46Å; V332-Y352 PolarHBondContact O-N 2.82Å
333V98Very high95.4Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-120.2126.8176.2-176.60000109.1S314 V315 V316 L335 Y352 L383 L386 I387 F413S314-V333 PolarHBondContact O-N 3.3Å; V315-V333 WeakPolarHBondContact CA-O 3.37Å; V315-V333 HydrophobicContact CB-CB 4.36Å; V315-V333 HydrophobicContact CG1-CB 4.06Å; V315-V333 HydrophobicContact CG1-CG1 4.2Å; V315-V333 HydrophobicContact CG2-CB 4.01Å; V315-V333 HydrophobicContact CG2-CG2 4.28Å; V316-V333 PolarHBondContact N-O 3.15Å; V333-L335 HydrophobicContact CG1-CD2 3.57Å; V333-L335 HydrophobicContact CG1-CG 4.35Å; V333-Y352 CarbonylContact C-O 3.47Å; V333-Y352 WeakPolarHBondContact CA-O 3.32Å; V333-Y352 HydrophobicContact CG2-CD2 4.01Å; V333-L383 HydrophobicContact CB-CD1 4.4Å; V333-L383 HydrophobicContact CG1-CD1 3.73Å; V333-L383 HydrophobicContact CG2-CD1 3.72Å; V333-L386 HydrophobicContact CG2-CB 4.05Å; V333-L386 HydrophobicContact CG2-CD1 3.79Å; V333-I387 HydrophobicContact CG1-CD1 4.38Å; V333-I387 HydrophobicContact CG1-CG1 4.08Å; V333-F413 HydrophobicContact CG1-CE1 4.2Å
334I97.5Very high95.3Very high0 Ų032.2 Ų32.20%017%0.17CC..EExtended strand (participates in β ladder)trans-120.1115.2179.4-54.5173.3000108.6V316 V319 V332 V338 F342 V351 Y352 V353 Y354V316-I334 HydrophobicContact CG1-CB 4.36Å; V316-I334 HydrophobicContact CG1-CG1 3.91Å; V316-I334 HydrophobicContact CG1-CG2 4.26Å; V316-I334 WeakPolarHBondContact O-CA 3.41Å; V319-I334 HydrophobicContact CB-CD1 4.43Å; V319-I334 HydrophobicContact CG2-CD1 3.73Å; V319-I334 HydrophobicContact CG2-CG1 4.05Å; V319-I334 HydrophobicContact CG2-CG2 4.09Å; V332-I334 HydrophobicContact CG1-CD1 4.42Å; V332-I334 HydrophobicContact CG1-CG1 4.07Å; I334-V338 HydrophobicContact CB-CG1 4.47Å; I334-V338 HydrophobicContact CD1-CG1 3.89Å; I334-V338 HydrophobicContact CG2-CG1 3.8Å; I334-F342 HydrophobicContact CD1-CE2 3.41Å; I334-F342 VanDerWaalsContact CD1-CE2 3.41Å; I334-F342 HydrophobicContact CD1-CZ 3.47Å; I334-F342 VanDerWaalsContact CD1-CZ 3.47Å; I334-V351 HydrophobicContact CD1-CG1 4.2Å; I334-Y352 PolarHBondContact N-O 2.86Å; I334-V353 HydrophobicContact CD1-CG2 4.33Å; I334-Y354 WeakPolarHBondContact O-CB 3.27Å; I334-Y354 PolarHBondContact O-N 3.01Å
335L96.6Very high95.1Very high5 Ų533.9 Ų33.93%0.02619%0.187CC..  trans-91.94.9-172.1-55.1-177.6000114.2V315 V316 V333 I387 F390 V398 A399 L402 F413V315-L335 HydrophobicContact CG1-CD1 3.96Å; V315-L335 HydrophobicContact CG1-CG 4.14Å; V316-L335 PolarHBondContact O-N 3.42Å; V333-L335 HydrophobicContact CG1-CD2 3.57Å; V333-L335 HydrophobicContact CG1-CG 4.35Å; L335-I387 HydrophobicContact CD2-CD1 4.11Å; L335-I387 HydrophobicContact CD2-CG1 4.14Å; L335-F390 HydrophobicContact CD1-CD1 3.77Å; L335-F390 HydrophobicContact CD1-CE1 3.65Å; L335-V398 HydrophobicContact CB-CG1 3.99Å; L335-A399 HydrophobicContact CD1-CB 4.24Å; L335-L402 HydrophobicContact CD1-CD1 4.39Å; L335-L402 HydrophobicContact CD2-CD1 3.77Å; L335-L402 HydrophobicContact CG-CD1 4.46Å; L335-F413 HydrophobicContact CD2-CE1 4.14Å; L335-F413 HydrophobicContact CD2-CZ 3.98Å
336G91.9Very high95Very high25 Ų2533.1 Ų33.126%0.25818%0.184SC..SBendtrans-155.7-142.5-17800000114E317E317-G336 WeakPolarHBondContact O-CA 3.44Å; E317-G336 PolarHBondContact O-N 2.78Å
337T91.5Very high94.7Very high93 Ų9330.1 Ų30.157%0.57118%0.18SC*.  trans-70.6144.1-170.451.10000112.2G318 V319G318-T337 CarbonylContact C-O 3.47Å; G318-T337 VanDerWaalsContact CA-O 3.32Å; G318-T337 WeakPolarHBondContact CA-O 3.4Å; V319-T337 PolarHBondContact N-O 3.33Å
338V95Very high94.4Very high25 Ų2530.8 Ų30.815%0.15219%0.187CC..  trans-119.2147.6171.2-66.40000110.4V319 I334 F342 V353 F360 V363V319-V338 CarbonylContact O-C 3.31Å; V319-V338 VanDerWaalsContact O-CA 3.26Å; V319-V338 WeakPolarHBondContact O-CA 3.46Å; I334-V338 HydrophobicContact CB-CG1 4.47Å; I334-V338 HydrophobicContact CD1-CG1 3.89Å; I334-V338 HydrophobicContact CG2-CG1 3.8Å; V338-F342 HydrophobicContact CB-CD2 4.01Å; V338-F342 HydrophobicContact CB-CE2 4.38Å; V338-F342 HydrophobicContact CG1-CD2 4.05Å; V338-F342 HydrophobicContact CG1-CE2 3.91Å; V338-V353 HydrophobicContact CG1-CG1 4.02Å; V338-F360 HydrophobicContact CG2-CD2 3.37Å; V338-F360 HydrophobicContact CG2-CE2 3.71Å; V338-V363 HydrophobicContact CG2-CG2 3.68Å
339G94.3Very high94.3Very high10 Ų1028.7 Ų28.710%0.10318%0.179CC..  trans-82.5-174.5173.100000114.1V319 G320 D321 V363V319-G339 PolarHBondContact O-N 3.36Å; G320-G339 VanDerWaalsContact O-CA 3.23Å; G320-G339 WeakPolarHBondContact O-CA 3.41Å; G320-G339 PolarHBondContact O-N 3.16Å; D321-G339 WeakPolarHBondContact OD1-CA 3.33Å; G339-V363 WeakPolarHBondContact O-CB 3.15Å
340R95.9Very high94.4Very high179 Ų17929.7 Ų29.768%0.67518%0.18SC*.SBendtrans-72.5160.9-175.8-56.3177-170.2178.24.9112.5D321 H322 F342 V363D321-R340 PolarHBondContact OD1-N 3.41Å; H322-R340 PolarHBondContact N-O 3.41Å; R340-F342 PolarHBondContact O-N 2.94Å; R340-V363 CarbonylContact C-O 3.5Å
341N95.9Very high94.6Very high58 Ų5829.1 Ų29.131%0.3117%0.174SC..SBendtrans5534.4176.2-162.837.3000112.8H322 A344 V363 N365H322-N341 PolarHBondContact CE1-ND2 3.36Å; H322-N341 PolarHBondContact ND1-ND2 2.96Å; H322-N341 VanDerWaalsContact ND1-ND2 3.16Å; N341-A344 WeakPolarHBondContact O-CB 3.45Å; N341-A344 WeakPolarHBondContact OD1-CB 3.38Å; N341-V363 WeakPolarHBondContact CA-O 3.39Å; N341-V363 PolarHBondContact N-O 2.84Å; N341-N365 WeakPolarHBondContact OD1-CB 3.38Å; N341-N365 PolarHBondContact OD1-ND2 3.28Å
342F96.5Very high94.6Very high0 Ų026.9 Ų26.90%017%0.165CC..BIsolated β-bridgetrans-62.6142.9178.4-169.6-84.9000110.6G323 C324 I334 V338 R340 A344 V351 V353 F360 V363 N365 V416G323-F342 WeakPolarHBondContact O-CD2 3.25Å; C324-F342 HydrophobicContact CB-CE1 4.32Å; C324-F342 HydrophobicContact CB-CZ 4.12Å; I334-F342 HydrophobicContact CD1-CE2 3.41Å; I334-F342 VanDerWaalsContact CD1-CE2 3.41Å; I334-F342 HydrophobicContact CD1-CZ 3.47Å; I334-F342 VanDerWaalsContact CD1-CZ 3.47Å; V338-F342 HydrophobicContact CB-CD2 4.01Å; V338-F342 HydrophobicContact CB-CE2 4.38Å; V338-F342 HydrophobicContact CG1-CD2 4.05Å; V338-F342 HydrophobicContact CG1-CE2 3.91Å; R340-F342 PolarHBondContact O-N 2.94Å; F342-A344 PolarHBondContact O-N 3.26Å; F342-V351 HydrophobicContact CE1-CG1 4.25Å; F342-V351 HydrophobicContact CZ-CG1 3.91Å; F342-V353 HydrophobicContact CE1-CG2 4.36Å; F342-V353 HydrophobicContact CZ-CG2 4.27Å; F342-F360 HydrophobicContact CB-CE2 4.17Å; F342-F360 AromaticContact CD1-CE2 3.54Å; F342-F360 HydrophobicContact CD1-CE2 3.54Å; F342-F360 AromaticContact CD1-CZ 3.43Å; F342-F360 HydrophobicContact CD1-CZ 3.43Å; F342-F360 VanDerWaalsContact CD1-CZ 3.43Å; F342-F360 HydrophobicContact CD2-CE2 4.36Å; F342-F360 AromaticContact CE1-CE2 3.98Å; F342-F360 HydrophobicContact CE1-CE2 3.98Å; F342-F360 AromaticContact CE1-CZ 3.69Å; F342-F360 HydrophobicContact CE1-CZ 3.69Å; F342-F360 AromaticContact CG-CE2 3.76Å; F342-F360 HydrophobicContact CG-CE2 3.76Å; F342-F360 HydrophobicContact CG-CZ 4.14Å; F342-V363 PolarHBondContact N-O 3.42Å; F342-N365 WeakPolarHBondContact O-CB 3.07Å; F342-N365 PolarHBondContact O-N 3.21Å; F342-V416 HydrophobicContact CE1-CG2 4.45Å
343A95.3Very high94.6Very high0 Ų027 Ų270%017%0.165CC..THydrogen-bonded Turntrans60.120.5-179.600000115.7G323 G345 M346 V369 V416G323-A343 PolarHBondContact O-N 3Å; A343-G345 PolarHBondContact O-N 3.09Å; A343-M346 HydrophobicContact CB-CB 4.08Å; A343-M346 HydrophobicContact CB-SD 3.98Å; A343-M346 VanDerWaalsContact O-CB 3.28Å; A343-M346 WeakPolarHBondContact O-CB 3.31Å; A343-M346 PolarHBondContact O-N 2.86Å; A343-M346 VanDerWaalsContact O-N 3.09Å; A343-V369 HydrophobicContact CB-CG1 4.13Å; A343-V369 HydrophobicContact CB-CG2 4.05Å; A343-V416 HydrophobicContact CB-CG1 4.06Å
344A94.1Very high94.5Very high8 Ų828.9 Ų28.97%0.06617%0.173CC..THydrogen-bonded Turntrans-60.6121.9176.700000111.7E325 Y326 N341 F342 M346 N365E325-A344 CarbonylContact C-O 3.48Å; E325-A344 VanDerWaalsContact CA-O 3.31Å; E325-A344 WeakPolarHBondContact CA-O 3.35Å; E325-A344 HydrophobicContact CG-CB 4.26Å; E325-A344 VanDerWaalsContact CG-O 3.3Å; E325-A344 WeakPolarHBondContact CG-O 3.4Å; Y326-A344 PolarHBondContact N-O 2.87Å; N341-A344 WeakPolarHBondContact O-CB 3.45Å; N341-A344 WeakPolarHBondContact OD1-CB 3.38Å; F342-A344 PolarHBondContact O-N 3.26Å; A344-M346 PolarHBondContact O-N 3.08Å; A344-N365 HydrophobicContact CB-CB 4.07Å
345G92Very high94.3Very high34 Ų3430 Ų3035%0.35118%0.179SC..THydrogen-bonded Turntrans70.110.5-178.500000114.6Y326 A343 S347Y326-G345 WeakPolarHBondContact CA-O 3.3Å; A343-G345 PolarHBondContact O-N 3.09Å; G345-S347 PolarHBondContact O-N 3.41Å
346M94Very high93.9Very high0 Ų036.7 Ų36.70%021%0.207CC..  trans-62.7124.5172.9176.1178.5177.400109.5M327 A343 A344 G348 G349 V351 S368 V369 V416M327-M346 HydrophobicContact CB-CG 4.02Å; M327-M346 CarbonylContact O-C 3.56Å; M327-M346 WeakPolarHBondContact O-CA 3.4Å; M327-M346 HydrophobicContact SD-CE 4.2Å; A343-M346 HydrophobicContact CB-CB 4.08Å; A343-M346 HydrophobicContact CB-SD 3.98Å; A343-M346 VanDerWaalsContact O-CB 3.28Å; A343-M346 WeakPolarHBondContact O-CB 3.31Å; A343-M346 PolarHBondContact O-N 2.86Å; A343-M346 VanDerWaalsContact O-N 3.09Å; A344-M346 PolarHBondContact O-N 3.08Å; M346-G348 VanDerWaalsContact CE-O 3.24Å; M346-G348 WeakPolarHBondContact CE-O 3.5Å; M346-G349 WeakPolarHBondContact CE-O 3.23Å; M346-V351 HydrophobicContact CE-CG2 3.88Å; M346-V351 HydrophobicContact SD-CG2 4.16Å; M346-S368 PolarHBondContact N-OG 2.92Å; M346-S368 VanDerWaalsContact O-CB 3.31Å; M346-S368 WeakPolarHBondContact O-CB 3.49Å; M346-S368 PolarHBondContact O-OG 3.37Å; M346-V369 HydrophobicContact CB-CG1 3.78Å; M346-V369 HydrophobicContact CG-CG1 3.96Å; M346-V369 HydrophobicContact SD-CG1 3.96Å; M346-V416 HydrophobicContact SD-CG1 4.17Å
347S89.4Confident93.8Very high58 Ų5843.7 Ų43.741%0.40623%0.231SC..  trans-126.411.6-176.870.20000113.1M327 G345M327-S347 PolarHBondContact O-N 2.7Å; G345-S347 PolarHBondContact O-N 3.41Å
348G89.4Confident93.6Very high13 Ų1347.5 Ų47.513%0.13424%0.24CC..EExtended strand (participates in β ladder)trans178.8173.5174.500000112.6M327 T328 M346M327-G348 CarbonylContact C-O 3.59Å; M327-G348 PolarHBondContact O-N 3.3Å; M327-G348 VanDerWaalsContact O-N 3.16Å; T328-G348 CarbonylContact C-O 3.56Å; T328-G348 CarbonylContact O-C 3.56Å; T328-G348 WeakPolarHBondContact O-CA 3.47Å; M346-G348 VanDerWaalsContact CE-O 3.24Å; M346-G348 WeakPolarHBondContact CE-O 3.5Å
349G91.9Very high93.4Very high23 Ų2351.8 Ų51.824%0.23726%0.259CS..EExtended strand (participates in β ladder)trans82.6174.9-171.400000113.7G330 M346G330-G349 WeakPolarHBondContact O-CA 3.42Å; M346-G349 WeakPolarHBondContact CE-O 3.23Å
350I95.3Very high93.3Very high33 Ų3351.5 Ų51.517%0.16926%0.255CS..EExtended strand (participates in β ladder)trans-130.1133.2179-66.6166.5000109.6G330 F331 V332 Y352 K415G330-I350 PolarHBondContact O-N 3.36Å; F331-I350 WeakPolarHBondContact CA-O 3.32Å; F331-I350 HydrophobicContact CD1-CB 3.89Å; F331-I350 HydrophobicContact CD1-CD1 4.45Å; F331-I350 HydrophobicContact CD1-CG2 4.49Å; F331-I350 HydrophobicContact CE1-CB 4.07Å; F331-I350 HydrophobicContact CE1-CD1 3.76Å; F331-I350 HydrophobicContact CE1-CG1 4.33Å; V332-I350 PolarHBondContact N-O 3.24Å; I350-Y352 HydrophobicContact CG2-CD1 4.37Å; I350-Y352 HydrophobicContact CG2-CD2 4.35Å; I350-Y352 HydrophobicContact CG2-CE1 3.78Å; I350-Y352 HydrophobicContact CG2-CE2 3.77Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.45Å; I350-K415 HydrophobicContact CG2-CD 4.42Å; I350-K415 HydrophobicContact CG2-CG 3.96Å
351V97Very high93.2Very high0 Ų051 Ų510%025%0.253CS..EExtended strand (participates in β ladder)trans-120.2134.4175.2-168.70000110.4C324 M327 V332 I334 F342 M346 V353 K415 V416C324-V351 HydrophobicContact CB-CG2 4.18Å; M327-V351 HydrophobicContact CE-CG2 4.37Å; M327-V351 HydrophobicContact SD-CG2 3.78Å; V332-V351 HydrophobicContact CB-CB 4.45Å; V332-V351 HydrophobicContact CB-CG1 3.97Å; V332-V351 HydrophobicContact CB-CG2 4.19Å; V332-V351 HydrophobicContact CG1-CG1 3.99Å; V332-V351 CarbonylContact O-C 2.8Å; V332-V351 VanDerWaalsContact O-CA 3.28Å; V332-V351 WeakPolarHBondContact O-CA 3.46Å; I334-V351 HydrophobicContact CD1-CG1 4.2Å; F342-V351 HydrophobicContact CE1-CG1 4.25Å; F342-V351 HydrophobicContact CZ-CG1 3.91Å; M346-V351 HydrophobicContact CE-CG2 3.88Å; M346-V351 HydrophobicContact SD-CG2 4.16Å; V351-V353 HydrophobicContact CG1-CG2 4.01Å; V351-K415 CarbonylContact O-C 3.54Å; V351-K415 WeakPolarHBondContact O-CA 3.45Å; V351-V416 HydrophobicContact CB-CB 4.05Å; V351-V416 HydrophobicContact CB-CG2 4.26Å; V351-V416 PolarHBondContact N-O 3.48Å; V351-V416 VanDerWaalsContact N-O 3.09Å; V351-V416 PolarHBondContact O-N 2.82Å
352Y97Very high93Very high0 Ų052.9 Ų52.90%027%0.271CS..EExtended strand (participates in β ladder)trans-111.4118173.9-53.5-77.9000109.2F331 V332 V333 I334 I350 V374 D379 L383 V414 K415F331-Y352 HydrophobicContact CD1-CE2 4.43Å; V332-Y352 PolarHBondContact O-N 2.82Å; V333-Y352 CarbonylContact C-O 3.47Å; V333-Y352 WeakPolarHBondContact CA-O 3.32Å; V333-Y352 HydrophobicContact CG2-CD2 4.01Å; I334-Y352 PolarHBondContact N-O 2.86Å; I350-Y352 HydrophobicContact CG2-CD1 4.37Å; I350-Y352 HydrophobicContact CG2-CD2 4.35Å; I350-Y352 HydrophobicContact CG2-CE1 3.78Å; I350-Y352 HydrophobicContact CG2-CE2 3.77Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.45Å; Y352-V374 HydrophobicContact CD1-CG2 3.78Å; Y352-V374 HydrophobicContact CE1-CG1 4.43Å; Y352-V374 HydrophobicContact CE1-CG2 4.16Å; Y352-D379 HydrophobicContact CE1-CB 4.06Å; Y352-D379 PolarHBondContact OH-OD1 2.9Å; Y352-L383 HydrophobicContact CD1-CD2 4.44Å; Y352-L383 HydrophobicContact CD2-CD1 3.98Å; Y352-L383 HydrophobicContact CG-CD1 3.86Å; Y352-L383 HydrophobicContact CG-CD2 4.46Å; Y352-V414 WeakPolarHBondContact CA-O 3.42Å; Y352-K415 HydrophobicContact CD1-CB 4.35Å; Y352-K415 HydrophobicContact CD1-CG 4.37Å; Y352-K415 HydrophobicContact CE1-CB 4.45Å; Y352-K415 HydrophobicContact CE1-CD 4.33Å; Y352-K415 HydrophobicContact CE1-CG 4.09Å
353V97.1Very high92.9Very high2 Ų254.6 Ų54.61%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-113124.1-178.5-176.10000109.8I334 V338 F342 V351 D355 F360 F413 V414 V416I334-V353 HydrophobicContact CD1-CG2 4.33Å; V338-V353 HydrophobicContact CG1-CG1 4.02Å; F342-V353 HydrophobicContact CE1-CG2 4.36Å; F342-V353 HydrophobicContact CZ-CG2 4.27Å; V351-V353 HydrophobicContact CG1-CG2 4.01Å; V353-D355 PolarHBondContact O-N 3.29Å; V353-F360 HydrophobicContact CB-CD1 4.41Å; V353-F360 HydrophobicContact CB-CD2 4.45Å; V353-F360 HydrophobicContact CB-CE1 4.34Å; V353-F360 HydrophobicContact CB-CE2 4.38Å; V353-F360 HydrophobicContact CB-CG 4.46Å; V353-F360 HydrophobicContact CB-CZ 4.33Å; V353-F360 HydrophobicContact CG1-CD2 3.92Å; V353-F360 HydrophobicContact CG1-CE2 4.16Å; V353-F360 HydrophobicContact CG1-CG 4.14Å; V353-F360 HydrophobicContact CG2-CD2 4.46Å; V353-F360 HydrophobicContact CG2-CE1 4.08Å; V353-F360 HydrophobicContact CG2-CE2 3.91Å; V353-F360 HydrophobicContact CG2-CZ 3.71Å; V353-F413 CarbonylContact O-C 3.51Å; V353-F413 WeakPolarHBondContact O-CA 3.07Å; V353-V414 PolarHBondContact N-O 3.07Å; V353-V414 PolarHBondContact O-N 3.28Å; V353-V416 HydrophobicContact CG2-CG2 4.35Å
354Y96.5Very high92.9Very high41 Ų4155.1 Ų55.116%0.16129%0.285CS..EExtended strand (participates in β ladder)trans-77.986.9175.8-173.2-114.8000111.3I334 K356 L402 P409 H412 F413I334-Y354 WeakPolarHBondContact O-CB 3.27Å; I334-Y354 PolarHBondContact O-N 3.01Å; Y354-K356 HydrophobicContact CE1-CB 4.01Å; Y354-K356 HydrophobicContact CE1-CD 4.46Å; Y354-K356 PolarHBondContact O-N 3.27Å; Y354-L402 HydrophobicContact CD1-CD2 4.47Å; Y354-L402 HydrophobicContact CD2-CD2 4.15Å; Y354-L402 HydrophobicContact CE1-CD2 3.97Å; Y354-L402 HydrophobicContact CE2-CD2 3.6Å; Y354-P409 HydrophobicContact CE2-CB 4Å; Y354-H412 HydrophobicContact CD2-CB 4.05Å; Y354-H412 HydrophobicContact CE2-CB 3.59Å; Y354-F413 HydrophobicContact CD2-CD1 4.47Å; Y354-F413 AromaticContact CD2-CD2 3.82Å; Y354-F413 HydrophobicContact CD2-CD2 3.82Å; Y354-F413 HydrophobicContact CD2-CE1 4.21Å; Y354-F413 AromaticContact CD2-CE2 3.52Å; Y354-F413 HydrophobicContact CD2-CE2 3.52Å; Y354-F413 HydrophobicContact CD2-CG 4.3Å; Y354-F413 AromaticContact CD2-CZ 3.73Å; Y354-F413 HydrophobicContact CD2-CZ 3.73Å; Y354-F413 HydrophobicContact CE2-CD2 4.49Å; Y354-F413 HydrophobicContact CE2-CE2 4.17Å; Y354-F413 HydrophobicContact CG-CE1 4.39Å; Y354-F413 HydrophobicContact CG-CE2 4.39Å; Y354-F413 HydrophobicContact CG-CZ 4.15Å
355D93.6Very high92.8Very high23 Ų2357.5 Ų57.512%0.12330%0.297CS..  trans-96.769.4-175.6-172.816.5000112.9V353 K357 K358 M359 F360 H412 V414V353-D355 PolarHBondContact O-N 3.29Å; D355-K357 PolarHBondContact O-N 3.28Å; D355-K358 VanDerWaalsContact CG-CA 3.47Å; D355-K358 PolarHBondContact O-N 2.8Å; D355-K358 WeakPolarHBondContact OD1-CA 3.35Å; D355-K358 PolarHBondContact OD1-N 2.91Å; D355-K358 WeakPolarHBondContact OD2-CA 3.41Å; D355-M359 PolarHBondContact OD1-N 3.45Å; D355-M359 PolarHBondContact OD2-N 2.9Å; D355-M359 VanDerWaalsContact OD2-N 3.08Å; D355-F360 HydrophobicContact CB-CB 3.84Å; D355-F360 VanDerWaalsContact CG-CB 3.44Å; D355-F360 WeakPolarHBondContact OD2-CB 3.47Å; D355-F360 PolarHBondContact OD2-N 3.33Å; D355-H412 PolarHBondContact N-O 3.18Å; D355-V414 HydrophobicContact CB-CG2 4.02Å
356K88.6Confident92.8Very high145 Ų14558.3 Ų58.363%0.6329%0.293SS*.THydrogen-bonded Turntrans-61.1-32.2178.1-169.4179.7178.8-175.40113.2Y354Y354-K356 HydrophobicContact CE1-CB 4.01Å; Y354-K356 HydrophobicContact CE1-CD 4.46Å; Y354-K356 PolarHBondContact O-N 3.27Å
357K89.1Confident92.5Very high172 Ų17261 Ų6175%0.74832%0.32SS*.THydrogen-bonded Turntrans-88.9-3.5-177.1-67.5-175.4-179.3177.60113.7D355 M359D355-K357 PolarHBondContact O-N 3.28Å; K357-M359 HydrophobicContact CB-CG 3.97Å; K357-M359 HydrophobicContact CB-SD 4.13Å; K357-M359 HydrophobicContact CD-SD 4.27Å; K357-M359 PolarHBondContact O-N 3.06Å
358K88.2Confident92.2Very high174 Ų17459.8 Ų59.876%0.75731%0.312SS*.SBendtrans56.535.3-175.6-59.8-167.5176-172.60113.5D355D355-K358 VanDerWaalsContact CG-CA 3.47Å; D355-K358 PolarHBondContact O-N 2.8Å; D355-K358 WeakPolarHBondContact OD1-CA 3.35Å; D355-K358 PolarHBondContact OD1-N 2.91Å; D355-K358 WeakPolarHBondContact OD2-CA 3.41Å
359M89.8Confident92.3Very high115 Ų11559.1 Ų59.157%0.56731%0.305SS*.  trans-104-8.9-178.1-67.1-176.570.100113.1D355 K357 R361 S362D355-M359 PolarHBondContact OD1-N 3.45Å; D355-M359 PolarHBondContact OD2-N 2.9Å; D355-M359 VanDerWaalsContact OD2-N 3.08Å; K357-M359 HydrophobicContact CB-CG 3.97Å; K357-M359 HydrophobicContact CB-SD 4.13Å; K357-M359 HydrophobicContact CD-SD 4.27Å; K357-M359 PolarHBondContact O-N 3.06Å; M359-R361 VanDerWaalsContact C-N 3.29Å; M359-R361 PolarHBondContact O-N 3.28Å; M359-S362 PolarHBondContact O-N 3.35Å; M359-S362 PolarHBondContact O-OG 2.98Å
360F93.2Very high92.2Very high3 Ų360.5 Ų60.51%0.01331%0.307CS..Hα-helixtrans-61.2-37.3-171.7178.9-123.2000113.1V338 F342 V353 D355 S362 V363 C364 L371 V414 V416V338-F360 HydrophobicContact CG2-CD2 3.37Å; V338-F360 HydrophobicContact CG2-CE2 3.71Å; F342-F360 HydrophobicContact CB-CE2 4.17Å; F342-F360 AromaticContact CD1-CE2 3.54Å; F342-F360 HydrophobicContact CD1-CE2 3.54Å; F342-F360 AromaticContact CD1-CZ 3.43Å; F342-F360 HydrophobicContact CD1-CZ 3.43Å; F342-F360 VanDerWaalsContact CD1-CZ 3.43Å; F342-F360 HydrophobicContact CD2-CE2 4.36Å; F342-F360 AromaticContact CE1-CE2 3.98Å; F342-F360 HydrophobicContact CE1-CE2 3.98Å; F342-F360 AromaticContact CE1-CZ 3.69Å; F342-F360 HydrophobicContact CE1-CZ 3.69Å; F342-F360 AromaticContact CG-CE2 3.76Å; F342-F360 HydrophobicContact CG-CE2 3.76Å; F342-F360 HydrophobicContact CG-CZ 4.14Å; V353-F360 HydrophobicContact CB-CD1 4.41Å; V353-F360 HydrophobicContact CB-CD2 4.45Å; V353-F360 HydrophobicContact CB-CE1 4.34Å; V353-F360 HydrophobicContact CB-CE2 4.38Å; V353-F360 HydrophobicContact CB-CG 4.46Å; V353-F360 HydrophobicContact CB-CZ 4.33Å; V353-F360 HydrophobicContact CG1-CD2 3.92Å; V353-F360 HydrophobicContact CG1-CE2 4.16Å; V353-F360 HydrophobicContact CG1-CG 4.14Å; V353-F360 HydrophobicContact CG2-CD2 4.46Å; V353-F360 HydrophobicContact CG2-CE1 4.08Å; V353-F360 HydrophobicContact CG2-CE2 3.91Å; V353-F360 HydrophobicContact CG2-CZ 3.71Å; D355-F360 HydrophobicContact CB-CB 3.84Å; D355-F360 VanDerWaalsContact CG-CB 3.44Å; D355-F360 WeakPolarHBondContact OD2-CB 3.47Å; D355-F360 PolarHBondContact OD2-N 3.33Å; F360-S362 PolarHBondContact O-N 2.87Å; F360-V363 HydrophobicContact CD2-CG2 4.11Å; F360-V363 WeakPolarHBondContact O-CG2 3.28Å; F360-V363 PolarHBondContact O-N 3.01Å; F360-V363 VanDerWaalsContact O-N 3.14Å; F360-C364 HydrophobicContact CE1-CB 4.25Å; F360-C364 HydrophobicContact CE2-CB 4.23Å; F360-C364 HydrophobicContact CZ-CB 4.02Å; F360-C364 WeakPolarHBondContact O-CB 3.17Å; F360-C364 PolarHBondContact O-N 3Å; F360-L371 HydrophobicContact CD1-CD1 4.31Å; F360-L371 HydrophobicContact CD1-CD2 4.24Å; F360-L371 HydrophobicContact CE1-CD1 4.4Å; F360-L371 HydrophobicContact CE1-CD2 3.6Å; F360-V414 HydrophobicContact CD1-CB 4.07Å; F360-V414 HydrophobicContact CD1-CG1 3.93Å; F360-V414 HydrophobicContact CD1-CG2 4.45Å; F360-V414 HydrophobicContact CE1-CG1 4.17Å; F360-V416 HydrophobicContact CE1-CG2 3.47Å; F360-V416 VanDerWaalsContact CE1-CG2 3.47Å; F360-V416 HydrophobicContact CZ-CG2 3.65Å
361R92.3Very high92.1Very high169 Ų16960.7 Ų60.764%0.63831%0.308SS*.Hα-helixtrans-58.4-32.5-179.8-173.9178.4-179.792.40.6113.4M359 V363 L366 L371M359-R361 VanDerWaalsContact C-N 3.29Å; M359-R361 PolarHBondContact O-N 3.28Å; R361-V363 VanDerWaalsContact C-N 3.33Å; R361-L366 HydrophobicContact CG-CD1 4.45Å; R361-L371 HydrophobicContact CB-CD1 4.17Å; R361-L371 HydrophobicContact CG-CD1 4.18Å
362S93.1Very high91.9Very high97 Ų9763.8 Ų63.868%0.67833%0.325SS*.Hα-helixtrans-79.3-17-177.764.60000113.6M359 F360M359-S362 PolarHBondContact O-N 3.35Å; M359-S362 PolarHBondContact O-OG 2.98Å; F360-S362 PolarHBondContact O-N 2.87Å
363V94.1Very high91.6Very high36 Ų3667.4 Ų67.422%0.21835%0.348CS..Hα-helixtrans-105.5-14.6179.3-63.50000112.9V338 G339 R340 N341 F342 F360 R361V338-V363 HydrophobicContact CG2-CG2 3.68Å; G339-V363 WeakPolarHBondContact O-CB 3.15Å; R340-V363 CarbonylContact C-O 3.5Å; N341-V363 WeakPolarHBondContact CA-O 3.39Å; N341-V363 PolarHBondContact N-O 2.84Å; F342-V363 PolarHBondContact N-O 3.42Å; F360-V363 HydrophobicContact CD2-CG2 4.11Å; F360-V363 WeakPolarHBondContact O-CG2 3.28Å; F360-V363 PolarHBondContact O-N 3.01Å; F360-V363 VanDerWaalsContact O-N 3.14Å; R361-V363 VanDerWaalsContact C-N 3.33Å
364C94.8Very high91.4Very high12 Ų1267.7 Ų67.78%0.08135%0.35CS..BIsolated β-bridgetrans-81.4134.8176.6-167.60000112.5F360 L366 L371F360-C364 HydrophobicContact CE1-CB 4.25Å; F360-C364 HydrophobicContact CE2-CB 4.23Å; F360-C364 HydrophobicContact CZ-CB 4.02Å; F360-C364 WeakPolarHBondContact O-CB 3.17Å; F360-C364 PolarHBondContact O-N 3Å; C364-L366 HydrophobicContact CB-CD2 4.47Å; C364-L366 PolarHBondContact O-N 3.25Å; C364-L371 HydrophobicContact CB-CD1 4.46Å
365N93.1Very high91Very high58 Ų5872.4 Ų72.431%0.3137%0.373SS..  trans-82.3105.1172.5-173.3-35.7000110.3N341 F342 A344 G367 V369N341-N365 WeakPolarHBondContact OD1-CB 3.38Å; N341-N365 PolarHBondContact OD1-ND2 3.28Å; F342-N365 WeakPolarHBondContact O-CB 3.07Å; F342-N365 PolarHBondContact O-N 3.21Å; A344-N365 HydrophobicContact CB-CB 4.07Å; N365-G367 PolarHBondContact O-N 3.03Å; N365-G367 PolarHBondContact OD1-N 3.25Å; N365-V369 VanDerWaalsContact O-CG2 3.31Å; N365-V369 WeakPolarHBondContact O-CG2 3.31Å
366L91.4Very high90.8Very high51 Ų5173.6 Ų73.627%0.26738%0.384SS..THydrogen-bonded Turntrans-81.413.4-176.4-57.1177.4000114.3R361 C364 L371 R419R361-L366 HydrophobicContact CG-CD1 4.45Å; C364-L366 HydrophobicContact CB-CD2 4.47Å; C364-L366 PolarHBondContact O-N 3.25Å; L366-L371 HydrophobicContact CD2-CD1 3.73Å; L366-L371 HydrophobicContact CD2-CG 3.76Å; L366-R419 PolarHBondContact O-NH1 3.19Å; L366-R419 PolarHBondContact O-NH2 3.11Å
367G86.8Confident90.8Very high56 Ų5669.3 Ų69.358%0.57738%0.38SS*.THydrogen-bonded Turntrans-65.6-40-17700000113.5N365N365-G367 PolarHBondContact O-N 3.03Å; N365-G367 PolarHBondContact OD1-N 3.25Å
368S84.7Confident90.9Very high32 Ų3266.8 Ų66.822%0.22437%0.371CS..SBendtrans-123.4-3.5-175.961.80000114.9M346 R419M346-S368 PolarHBondContact N-OG 2.92Å; M346-S368 VanDerWaalsContact O-CB 3.31Å; M346-S368 WeakPolarHBondContact O-CB 3.49Å; M346-S368 PolarHBondContact O-OG 3.37Å; S368-R419 PolarHBondContact O-N 3.07Å
369V90.2Very high91.1Very high0 Ų059 Ų590%034%0.338CS..EExtended strand (participates in β ladder)trans-126.1155.1-175.1-610000112.5A343 M346 N365 V416 N417 R419A343-V369 HydrophobicContact CB-CG1 4.13Å; A343-V369 HydrophobicContact CB-CG2 4.05Å; M346-V369 HydrophobicContact CB-CG1 3.78Å; M346-V369 HydrophobicContact CG-CG1 3.96Å; M346-V369 HydrophobicContact SD-CG1 3.96Å; N365-V369 VanDerWaalsContact O-CG2 3.31Å; N365-V369 WeakPolarHBondContact O-CG2 3.31Å; V369-V416 HydrophobicContact CB-CG1 3.86Å; V369-V416 HydrophobicContact CG1-CG1 4.1Å; V369-V416 HydrophobicContact CG2-CG1 3.92Å; V369-N417 CarbonylContact C-O 3.57Å; V369-N417 WeakPolarHBondContact CA-O 3.12Å; V369-N417 WeakPolarHBondContact CB-O 3.34Å; V369-R419 PolarHBondContact O-NH2 3.14Å
370D91.1Very high91.3Very high51 Ų5157.2 Ų57.227%0.27333%0.327SS..EExtended strand (participates in β ladder)trans-109.5160.8166.3-67.5-37.8000110N417 R419D370-N417 PolarHBondContact N-O 3.44Å; D370-N417 PolarHBondContact O-N 2.81Å; D370-N417 PolarHBondContact O-OD1 3.21Å; D370-N417 VanDerWaalsContact O-OD1 3.06Å; D370-R419 IonicContact OD1-CZ 3.88Å; D370-R419 VanDerWaalsContact OD1-CZ 3.26Å; D370-R419 IonicContact OD1-NE 3.48Å; D370-R419 PolarHBondContact OD1-NE 3.28Å; D370-R419 IonicContact OD1-NH2 2.87Å; D370-R419 PolarHBondContact OD1-NH2 3.38Å; D370-R419 VanDerWaalsContact OD2-CA 3.31Å; D370-R419 WeakPolarHBondContact OD2-CA 3.33Å; D370-R419 WeakPolarHBondContact OD2-CB 3.47Å; D370-R419 VanDerWaalsContact OD2-CG 3.28Å; D370-R419 WeakPolarHBondContact OD2-CG 3.45Å; D370-R419 IonicContact OD2-NE 3.9Å
371L93Very high91.3Very high37 Ų3763 Ų6319%0.19435%0.354CS..EExtended strand (participates in β ladder)trans-121.2108.9-177.9-62.9-174.1000108.2F360 R361 C364 L366 V414 K415 V416F360-L371 HydrophobicContact CD1-CD1 4.31Å; F360-L371 HydrophobicContact CD1-CD2 4.24Å; F360-L371 HydrophobicContact CE1-CD1 4.4Å; F360-L371 HydrophobicContact CE1-CD2 3.6Å; R361-L371 HydrophobicContact CB-CD1 4.17Å; R361-L371 HydrophobicContact CG-CD1 4.18Å; C364-L371 HydrophobicContact CB-CD1 4.46Å; L366-L371 HydrophobicContact CD2-CD1 3.73Å; L366-L371 HydrophobicContact CD2-CG 3.76Å; L371-V414 HydrophobicContact CB-CG1 3.95Å; L371-V414 HydrophobicContact CD2-CG1 4.08Å; L371-V414 HydrophobicContact CG-CG1 4.44Å; L371-K415 WeakPolarHBondContact CA-O 3.16Å; L371-V416 HydrophobicContact CD2-CB 4.32Å; L371-V416 HydrophobicContact CD2-CG1 4.08Å; L371-V416 HydrophobicContact CD2-CG2 3.8Å
372D91.9Very high91.4Very high66 Ų6657.9 Ų57.935%0.35334%0.335SS..EExtended strand (participates in β ladder)trans-115.6153.9-174.5-65.8-36.7000111.3K415 N417D372-K415 HydrophobicContact CB-CB 4.38Å; D372-K415 PolarHBondContact N-O 3.36Å; D372-K415 WeakPolarHBondContact O-CA 3.49Å; D372-K415 WeakPolarHBondContact O-CB 3.21Å; D372-K415 PolarHBondContact O-N 3.01Å; D372-N417 PolarHBondContact OD2-ND2 3.01Å; D372-N417 PolarHBondContact OD2-OD1 2.82Å
373P92.1Very high91.6Very high76 Ų7653.3 Ų53.349%0.49430%0.303SS..EExtended strand (participates in β ladder)trans-68.4154.716428.9-33.4000111.8E375P373-E375 HydrophobicContact CB-CG 4.03Å; P373-E375 HydrophobicContact CG-CG 3.82Å; P373-E375 VanDerWaalsContact CG-OE1 3.3Å; P373-E375 WeakPolarHBondContact CG-OE1 3.41Å; P373-E375 PolarHBondContact O-N 3.06Å; P373-E375 VanDerWaalsContact O-N 3.13Å
374V92.2Very high91.7Very high8 Ų854 Ų545%0.04831%0.305CS..  trans-81.289.6174.6-175.80000110Y352 D379 K380 L383 I410 F413 K415Y352-V374 HydrophobicContact CD1-CG2 3.78Å; Y352-V374 HydrophobicContact CE1-CG1 4.43Å; Y352-V374 HydrophobicContact CE1-CG2 4.16Å; V374-D379 HydrophobicContact CG1-CB 3.81Å; V374-K380 HydrophobicContact CG1-CG 3.97Å; V374-K380 VanDerWaalsContact O-CE 3.25Å; V374-K380 WeakPolarHBondContact O-CE 3.34Å; V374-L383 HydrophobicContact CG1-CD2 4.41Å; V374-L383 HydrophobicContact CG2-CD2 4.47Å; V374-I410 HydrophobicContact CB-CG2 4.19Å; V374-I410 HydrophobicContact CG1-CG2 4.43Å; V374-F413 HydrophobicContact CG2-CB 3.81Å; V374-K415 HydrophobicContact CG2-CB 4.17Å
375E88.3Confident91.8Very high139 Ų13957.7 Ų57.765%0.6532%0.324SS*.  trans-104.8-38.9-173.4-68.8-176.8165.500114.4P373 K380P373-E375 HydrophobicContact CB-CG 4.03Å; P373-E375 HydrophobicContact CG-CG 3.82Å; P373-E375 VanDerWaalsContact CG-OE1 3.3Å; P373-E375 WeakPolarHBondContact CG-OE1 3.41Å; P373-E375 PolarHBondContact O-N 3.06Å; P373-E375 VanDerWaalsContact O-N 3.13Å; E375-K380 VanDerWaalsContact O-CE 3.26Å; E375-K380 WeakPolarHBondContact O-CE 3.3Å; E375-K380 PolarHBondContact O-NZ 3.35Å
376S87.9Confident92Very high49 Ų4955.3 Ų55.334%0.34331%0.311SS..SBendtrans-65.8146.4-174.484.80000112E378 D379 K380S376-E378 VanDerWaalsContact C-N 3.32Å; S376-E378 PolarHBondContact O-N 3.24Å; S376-D379 PolarHBondContact O-N 3.1Å; S376-D379 VanDerWaalsContact OG-CB 3.24Å; S376-D379 WeakPolarHBondContact OG-CB 3.43Å; S376-D379 PolarHBondContact OG-N 2.88Å; S376-D379 PolarHBondContact OG-OD2 2.94Å; S376-K380 WeakPolarHBondContact O-CG 3.32Å; S376-K380 PolarHBondContact O-N 3.49Å
377G89.3Confident92.3Very high54 Ų5452.9 Ų52.956%0.55730%0.298SS*.Hα-helixtrans-60.1-43.717800000112.1D379 K380 E381G377-D379 PolarHBondContact O-N 2.98Å; G377-K380 PolarHBondContact O-N 3.46Å; G377-E381 PolarHBondContact O-N 3.04Å
378E90.7Very high92.8Very high119 Ų11953.5 Ų53.556%0.55629%0.286SS*.Hα-helixtrans-62.1-42178.6-169.1-167.9152.800112.7S376 K380 R382S376-E378 VanDerWaalsContact C-N 3.32Å; S376-E378 PolarHBondContact O-N 3.24Å; E378-K380 VanDerWaalsContact C-N 3.34Å; E378-K380 PolarHBondContact O-N 3.26Å; E378-R382 VanDerWaalsContact O-CB 3.29Å; E378-R382 WeakPolarHBondContact O-CB 3.17Å; E378-R382 PolarHBondContact O-N 3.44Å; E378-R382 IonicContact OE1-CZ 2.73Å; E378-R382 IonicContact OE1-NH1 2.7Å; E378-R382 PolarHBondContact OE1-NH1 2.9Å; E378-R382 IonicContact OE1-NH2 3.18Å; E378-R382 PolarHBondContact OE1-NH2 3.45Å
379D92.3Very high93.4Very high10 Ų1054.6 Ų54.65%0.05329%0.288CS..Hα-helixtrans-65.8-38176.3-71-53000111.8Y352 V374 S376 G377 L383 K415Y352-D379 HydrophobicContact CE1-CB 4.06Å; Y352-D379 PolarHBondContact OH-OD1 2.9Å; V374-D379 HydrophobicContact CG1-CB 3.81Å; S376-D379 PolarHBondContact O-N 3.1Å; S376-D379 VanDerWaalsContact OG-CB 3.24Å; S376-D379 WeakPolarHBondContact OG-CB 3.43Å; S376-D379 PolarHBondContact OG-N 2.88Å; S376-D379 PolarHBondContact OG-OD2 2.94Å; G377-D379 PolarHBondContact O-N 2.98Å; D379-L383 WeakPolarHBondContact O-CB 3.44Å; D379-L383 PolarHBondContact O-N 3.34Å; D379-K415 VanDerWaalsContact CG-NZ 3.26Å; D379-K415 IonicContact OD1-NZ 2.8Å; D379-K415 PolarHBondContact OD1-NZ 2.92Å; D379-K415 VanDerWaalsContact OD1-NZ 3.08Å; D379-K415 IonicContact OD2-NZ 3.1Å; D379-K415 PolarHBondContact OD2-NZ 3.08Å
380K94.1Very high93.8Very high79 Ų7954.6 Ų54.634%0.34329%0.288SS..Hα-helixtrans-67.4-43.5-179.5-72.1170.5177.3157.70111.7V374 E375 S376 G377 E378 L384 I410V374-K380 HydrophobicContact CG1-CG 3.97Å; V374-K380 VanDerWaalsContact O-CE 3.25Å; V374-K380 WeakPolarHBondContact O-CE 3.34Å; E375-K380 VanDerWaalsContact O-CE 3.26Å; E375-K380 WeakPolarHBondContact O-CE 3.3Å; E375-K380 PolarHBondContact O-NZ 3.35Å; S376-K380 WeakPolarHBondContact O-CG 3.32Å; S376-K380 PolarHBondContact O-N 3.49Å; G377-K380 PolarHBondContact O-N 3.46Å; E378-K380 VanDerWaalsContact C-N 3.34Å; E378-K380 PolarHBondContact O-N 3.26Å; K380-L384 WeakPolarHBondContact O-CB 3.2Å; K380-L384 PolarHBondContact O-N 2.96Å; K380-I410 HydrophobicContact CD-CD1 4.45Å; K380-I410 HydrophobicContact CG-CD1 4.21Å; K380-I410 HydrophobicContact CG-CG2 4.48Å
381E94.4Very high94.1Very high125 Ų12554.9 Ų54.958%0.58429%0.287SS*.Hα-helixtrans-64-52.5176.7-173.9173.3-162.300110.5G377 L383 L384 D385G377-E381 PolarHBondContact O-N 3.04Å; E381-L383 VanDerWaalsContact C-N 3.32Å; E381-L383 PolarHBondContact O-N 3.36Å; E381-L384 WeakPolarHBondContact O-CB 2.83Å; E381-L384 PolarHBondContact O-N 3.42Å; E381-D385 VanDerWaalsContact O-CG 3.31Å; E381-D385 PolarHBondContact O-N 3.44Å
382R94.6Very high94.3Very high61 Ų6158 Ų5823%0.2330%0.304CS..Hα-helixtrans-57.7-42.3178.1-176.5179.2-65.8125.1-1.7113.1F331 E378 L386F331-R382 VanDerWaalsContact CZ-CZ 3.41Å; E378-R382 VanDerWaalsContact O-CB 3.29Å; E378-R382 WeakPolarHBondContact O-CB 3.17Å; E378-R382 PolarHBondContact O-N 3.44Å; E378-R382 IonicContact OE1-CZ 2.73Å; E378-R382 IonicContact OE1-NH1 2.7Å; E378-R382 PolarHBondContact OE1-NH1 2.9Å; E378-R382 IonicContact OE1-NH2 3.18Å; E378-R382 PolarHBondContact OE1-NH2 3.45Å; R382-L386 HydrophobicContact CG-CD1 4.2Å; R382-L386 WeakPolarHBondContact O-CB 3.44Å; R382-L386 WeakPolarHBondContact O-CG 2.95Å; R382-L386 PolarHBondContact O-N 3.48Å; R382-L386 VanDerWaalsContact O-N 3.08Å
383L96.1Very high94.5Very high0 Ų057.7 Ų57.70%030%0.302CS..Hα-helixtrans-64.3-42.2177.2178.659.8000111.3V333 Y352 V374 D379 E381 I387 W406 F413V333-L383 HydrophobicContact CB-CD1 4.4Å; V333-L383 HydrophobicContact CG1-CD1 3.73Å; V333-L383 HydrophobicContact CG2-CD1 3.72Å; Y352-L383 HydrophobicContact CD1-CD2 4.44Å; Y352-L383 HydrophobicContact CD2-CD1 3.98Å; Y352-L383 HydrophobicContact CG-CD1 3.86Å; Y352-L383 HydrophobicContact CG-CD2 4.46Å; V374-L383 HydrophobicContact CG1-CD2 4.41Å; V374-L383 HydrophobicContact CG2-CD2 4.47Å; D379-L383 WeakPolarHBondContact O-CB 3.44Å; D379-L383 PolarHBondContact O-N 3.34Å; E381-L383 VanDerWaalsContact C-N 3.32Å; E381-L383 PolarHBondContact O-N 3.36Å; L383-I387 HydrophobicContact CD1-CD1 3.76Å; L383-I387 HydrophobicContact CD1-CG1 4.26Å; L383-I387 HydrophobicContact CG-CD1 3.95Å; L383-I387 WeakPolarHBondContact O-CD1 3.13Å; L383-I387 WeakPolarHBondContact O-CG1 2.68Å; L383-I387 PolarHBondContact O-N 3.36Å; L383-I387 VanDerWaalsContact O-N 3.17Å; L383-W406 HydrophobicContact CD2-CH2 4.04Å; L383-W406 HydrophobicContact CG-CH2 4.08Å; L383-F413 HydrophobicContact CD1-CD1 4.27Å; L383-F413 HydrophobicContact CD1-CE1 4.01Å; L383-F413 HydrophobicContact CD1-CZ 4.39Å; L383-F413 HydrophobicContact CD2-CB 4.18Å; L383-F413 HydrophobicContact CD2-CD1 3.94Å; L383-F413 HydrophobicContact CD2-CD2 3.91Å; L383-F413 HydrophobicContact CD2-CE1 4.26Å; L383-F413 HydrophobicContact CD2-CE2 4.23Å; L383-F413 HydrophobicContact CD2-CG 3.75Å; L383-F413 HydrophobicContact CD2-CZ 4.4Å
384L96.6Very high94.7Very high51 Ų5154.4 Ų54.427%0.26728%0.28SS..Hα-helixtrans-61.9-48.6176.4177.260.2000110.9K380 E381 L386 I387 Q388 L403 W406K380-L384 WeakPolarHBondContact O-CB 3.2Å; K380-L384 PolarHBondContact O-N 2.96Å; E381-L384 WeakPolarHBondContact O-CB 2.83Å; E381-L384 PolarHBondContact O-N 3.42Å; L384-L386 PolarHBondContact O-N 3.29Å; L384-I387 PolarHBondContact O-N 3.17Å; L384-Q388 WeakPolarHBondContact O-CB 3.25Å; L384-Q388 PolarHBondContact O-N 2.96Å; L384-L403 HydrophobicContact CD1-CD2 3.68Å; L384-W406 HydrophobicContact CB-CZ2 3.84Å; L384-W406 HydrophobicContact CD1-CD2 3.94Å; L384-W406 HydrophobicContact CD1-CG 4.03Å; L384-W406 HydrophobicContact CD1-CZ2 4.25Å
385D96.7Very high94.8Very high89 Ų8955.8 Ų55.848%0.47630%0.296SS..Hα-helixtrans-60.1-45.7-178.3-67.6-16.1000111.8E381 I387 Q388 E389E381-D385 VanDerWaalsContact O-CG 3.31Å; E381-D385 PolarHBondContact O-N 3.44Å; D385-I387 VanDerWaalsContact C-N 3.35Å; D385-I387 PolarHBondContact O-N 3.34Å; D385-Q388 PolarHBondContact O-N 2.86Å; D385-E389 WeakPolarHBondContact O-CB 3.3Å; D385-E389 PolarHBondContact O-N 2.88Å
386L97Very high95.1Very high8 Ų849.2 Ų49.24%0.04227%0.265CS..Hα-helixtrans-63.4-40178-73.3172.9000112N313 V315 F331 V333 R382 L384 F390N313-L386 HydrophobicContact CB-CD2 4.27Å; V315-L386 HydrophobicContact CG2-CB 3.92Å; V315-L386 WeakPolarHBondContact CG2-O 2.96Å; F331-L386 HydrophobicContact CB-CD1 4.05Å; V333-L386 HydrophobicContact CG2-CB 4.05Å; V333-L386 HydrophobicContact CG2-CD1 3.79Å; R382-L386 HydrophobicContact CG-CD1 4.2Å; R382-L386 WeakPolarHBondContact O-CB 3.44Å; R382-L386 WeakPolarHBondContact O-CG 2.95Å; R382-L386 PolarHBondContact O-N 3.48Å; R382-L386 VanDerWaalsContact O-N 3.08Å; L384-L386 PolarHBondContact O-N 3.29Å; L386-F390 VanDerWaalsContact O-CB 3.25Å; L386-F390 WeakPolarHBondContact O-CB 3.5Å; L386-F390 PolarHBondContact O-N 3.03Å
387I97.4Very high95.4Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-71-38.7178.4-65.4170.9000111V333 L335 L383 L384 D385 F390 F391 A399 L403 W406 F413V333-I387 HydrophobicContact CG1-CD1 4.38Å; V333-I387 HydrophobicContact CG1-CG1 4.08Å; L335-I387 HydrophobicContact CD2-CD1 4.11Å; L335-I387 HydrophobicContact CD2-CG1 4.14Å; L383-I387 HydrophobicContact CD1-CD1 3.76Å; L383-I387 HydrophobicContact CD1-CG1 4.26Å; L383-I387 HydrophobicContact CG-CD1 3.95Å; L383-I387 WeakPolarHBondContact O-CD1 3.13Å; L383-I387 WeakPolarHBondContact O-CG1 2.68Å; L383-I387 PolarHBondContact O-N 3.36Å; L383-I387 VanDerWaalsContact O-N 3.17Å; L384-I387 PolarHBondContact O-N 3.17Å; D385-I387 VanDerWaalsContact C-N 3.35Å; D385-I387 PolarHBondContact O-N 3.34Å; I387-F390 PolarHBondContact O-N 3.14Å; I387-F391 PolarHBondContact O-N 2.93Å; I387-A399 HydrophobicContact CG2-CB 4.08Å; I387-L403 HydrophobicContact CB-CD2 4.5Å; I387-L403 HydrophobicContact CG2-CD1 4.3Å; I387-L403 HydrophobicContact CG2-CD2 3.94Å; I387-L403 HydrophobicContact CG2-CG 3.93Å; I387-W406 HydrophobicContact CD1-CZ3 4.28Å; I387-F413 HydrophobicContact CD1-CE1 4.39Å; I387-F413 HydrophobicContact CD1-CE2 4.29Å; I387-F413 HydrophobicContact CD1-CZ 3.67Å
388Q97.6Very high95.7Very high70 Ų7048.1 Ų48.133%0.32725%0.246SC..Hα-helixtrans-63.8-50.6176.7-174.660.560.700110.5L384 D385 F390 F391 D392 L403L384-Q388 WeakPolarHBondContact O-CB 3.25Å; L384-Q388 PolarHBondContact O-N 2.96Å; D385-Q388 PolarHBondContact O-N 2.86Å; Q388-F390 VanDerWaalsContact C-N 3.29Å; Q388-F390 PolarHBondContact O-N 3.07Å; Q388-F391 WeakPolarHBondContact O-CB 3.31Å; Q388-F391 PolarHBondContact O-N 3.1Å; Q388-F391 VanDerWaalsContact O-N 3.08Å; Q388-D392 PolarHBondContact NE2-OD1 3.5Å; Q388-D392 PolarHBondContact NE2-OD2 3.38Å; Q388-D392 PolarHBondContact O-N 2.95Å; Q388-L403 HydrophobicContact CB-CD2 4.37Å
389E97.5Very high95.9Very high55 Ų5542.4 Ų42.426%0.25722%0.219SC..Hα-helixtrans-58.7-42176-173175.5-172.500111.3K294 F296 D385 F391 D392 L393K294-E389 WeakPolarHBondContact CD-OE1 3.43Å; K294-E389 IonicContact NZ-OE1 2.73Å; K294-E389 PolarHBondContact NZ-OE1 3.2Å; K294-E389 IonicContact NZ-OE2 3.68Å; K294-E389 PolarHBondContact NZ-OE2 3.3Å; F296-E389 HydrophobicContact CE1-CB 4.4Å; F296-E389 HydrophobicContact CE1-CG 4.23Å; F296-E389 HydrophobicContact CE2-CG 3.9Å; F296-E389 HydrophobicContact CZ-CB 4.14Å; F296-E389 HydrophobicContact CZ-CG 3.56Å; F296-E389 WeakPolarHBondContact CZ-OE2 3.36Å; D385-E389 WeakPolarHBondContact O-CB 3.3Å; D385-E389 PolarHBondContact O-N 2.88Å; E389-F391 PolarHBondContact O-N 3.35Å; E389-D392 PolarHBondContact O-N 3.22Å; E389-L393 HydrophobicContact CG-CD1 3.78Å; E389-L393 HydrophobicContact CG-CG 4.4Å; E389-L393 WeakPolarHBondContact O-CB 3.45Å; E389-L393 VanDerWaalsContact O-CG 3.26Å; E389-L393 WeakPolarHBondContact O-CG 3.46Å; E389-L393 PolarHBondContact O-N 3.16Å
390F98Very high96.1Very high0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-61.8-41.4175.1176.2-114000112.9F296 R298 V315 E317 L335 L386 I387 Q388 T394 S396 A399F296-F390 HydrophobicContact CB-CD2 3.88Å; F296-F390 HydrophobicContact CB-CE2 4.47Å; F296-F390 HydrophobicContact CD1-CB 3.83Å; F296-F390 AromaticContact CD1-CD2 3.89Å; F296-F390 HydrophobicContact CD1-CD2 3.89Å; F296-F390 HydrophobicContact CD1-CG 4.35Å; F296-F390 HydrophobicContact CE1-CB 4.23Å; F296-F390 HydrophobicContact CG-CD2 4.34Å; R298-F390 HydrophobicContact CB-CE2 4.36Å; R298-F390 HydrophobicContact CB-CZ 4.13Å; V315-F390 HydrophobicContact CB-CB 3.8Å; V315-F390 HydrophobicContact CB-CD1 4.38Å; V315-F390 HydrophobicContact CB-CD2 3.84Å; V315-F390 HydrophobicContact CB-CG 3.75Å; V315-F390 HydrophobicContact CG1-CB 3.72Å; V315-F390 HydrophobicContact CG1-CD1 3.58Å; V315-F390 HydrophobicContact CG1-CD2 3.92Å; V315-F390 HydrophobicContact CG1-CE1 4.14Å; V315-F390 HydrophobicContact CG1-CE2 4.44Å; V315-F390 HydrophobicContact CG1-CG 3.45Å; V315-F390 VanDerWaalsContact CG1-CG 3.45Å; V315-F390 HydrophobicContact CG2-CB 4.07Å; E317-F390 HydrophobicContact CG-CE1 4.24Å; E317-F390 HydrophobicContact CG-CZ 3.95Å; L335-F390 HydrophobicContact CD1-CD1 3.77Å; L335-F390 HydrophobicContact CD1-CE1 3.65Å; L386-F390 VanDerWaalsContact O-CB 3.25Å; L386-F390 WeakPolarHBondContact O-CB 3.5Å; L386-F390 PolarHBondContact O-N 3.03Å; I387-F390 PolarHBondContact O-N 3.14Å; Q388-F390 VanDerWaalsContact C-N 3.29Å; Q388-F390 PolarHBondContact O-N 3.07Å; F390-T394 HydrophobicContact CD2-CG2 3.79Å; F390-T394 HydrophobicContact CE2-CG2 3.68Å; F390-T394 WeakPolarHBondContact O-CB 3.31Å; F390-T394 WeakPolarHBondContact O-CG2 3.27Å; F390-T394 PolarHBondContact O-N 2.89Å; F390-T394 VanDerWaalsContact O-N 3.08Å; F390-T394 PolarHBondContact O-OG1 3.35Å; F390-S396 WeakPolarHBondContact CE1-OG 3.31Å; F390-A399 HydrophobicContact CD1-CB 3.73Å; F390-A399 HydrophobicContact CE1-CB 4.1Å
391F97.6Very high96.2Very high57 Ų5747.2 Ų47.225%0.2524%0.241CC..Hα-helixtrans-64.2-48.1175.8171.7-111000111.3I387 Q388 E389 L393 T394 G395 S396 A399 E400 L403I387-F391 PolarHBondContact O-N 2.93Å; Q388-F391 WeakPolarHBondContact O-CB 3.31Å; Q388-F391 PolarHBondContact O-N 3.1Å; Q388-F391 VanDerWaalsContact O-N 3.08Å; E389-F391 PolarHBondContact O-N 3.35Å; F391-L393 VanDerWaalsContact C-N 3.3Å; F391-L393 PolarHBondContact O-N 3.41Å; F391-T394 PolarHBondContact O-N 3.27Å; F391-G395 WeakPolarHBondContact O-CA 3.36Å; F391-G395 PolarHBondContact O-N 3.46Å; F391-S396 WeakPolarHBondContact CD2-O 3.18Å; F391-A399 HydrophobicContact CB-CB 3.84Å; F391-A399 HydrophobicContact CD2-CB 4.48Å; F391-E400 HydrophobicContact CD2-CB 3.81Å; F391-E400 HydrophobicContact CD2-CG 4.39Å; F391-E400 HydrophobicContact CE2-CB 3.46Å; F391-E400 VanDerWaalsContact CE2-CB 3.46Å; F391-E400 HydrophobicContact CE2-CG 3.63Å; F391-E400 HydrophobicContact CZ-CB 4.22Å; F391-E400 HydrophobicContact CZ-CG 3.89Å; F391-L403 HydrophobicContact CB-CD1 3.55Å; F391-L403 HydrophobicContact CD1-CD1 3.94Å; F391-L403 HydrophobicContact CG-CD1 3.81Å
392D97.2Very high96.2Very high102 Ų10241.6 Ų41.655%0.54522%0.215SC..Hα-helixtrans-62.8-37.3-176.9-64.1-24.8000111.7Q388 E389Q388-D392 PolarHBondContact NE2-OD1 3.5Å; Q388-D392 PolarHBondContact NE2-OD2 3.38Å; Q388-D392 PolarHBondContact O-N 2.95Å; E389-D392 PolarHBondContact O-N 3.22Å
393L96.3Very high96.3Very high59 Ų5940 Ų4031%0.30921%0.21SC..Hα-helixtrans-84.8-25.5-178.7-64.3175.8000114.5I263 F296 E389 F391I263-L393 HydrophobicContact CD1-CB 4.17Å; I263-L393 HydrophobicContact CD1-CD1 3.97Å; I263-L393 HydrophobicContact CD1-CD2 3.88Å; I263-L393 HydrophobicContact CD1-CG 4.23Å; I263-L393 HydrophobicContact CG1-CB 4.37Å; I263-L393 HydrophobicContact CG1-CD1 4.16Å; I263-L393 HydrophobicContact CG2-CB 4.22Å; F296-L393 HydrophobicContact CD2-CD1 3.47Å; F296-L393 VanDerWaalsContact CD2-CD1 3.47Å; F296-L393 HydrophobicContact CE2-CD1 3.61Å; F296-L393 HydrophobicContact CG-CD1 4.22Å; F296-L393 HydrophobicContact CZ-CD1 4.46Å; E389-L393 HydrophobicContact CG-CD1 3.78Å; E389-L393 HydrophobicContact CG-CG 4.4Å; E389-L393 WeakPolarHBondContact O-CB 3.45Å; E389-L393 VanDerWaalsContact O-CG 3.26Å; E389-L393 WeakPolarHBondContact O-CG 3.46Å; E389-L393 PolarHBondContact O-N 3.16Å; F391-L393 VanDerWaalsContact C-N 3.3Å; F391-L393 PolarHBondContact O-N 3.41Å
394T96Very high96.3Very high7 Ų747 Ų474%0.04324%0.241CC..Hα-helixtrans-120.4-13-171.4720000115.2I263 F296 R298 F390 F391 S396I263-T394 HydrophobicContact CG2-CG2 4.05Å; F296-T394 HydrophobicContact CB-CG2 4.13Å; R298-T394 HydrophobicContact CB-CG2 4.27Å; R298-T394 WeakPolarHBondContact CD-O 3.49Å; R298-T394 PolarHBondContact NH1-O 3.3Å; R298-T394 VanDerWaalsContact NH1-O 3.08Å; F390-T394 HydrophobicContact CD2-CG2 3.79Å; F390-T394 HydrophobicContact CE2-CG2 3.68Å; F390-T394 WeakPolarHBondContact O-CB 3.31Å; F390-T394 WeakPolarHBondContact O-CG2 3.27Å; F390-T394 PolarHBondContact O-N 2.89Å; F390-T394 VanDerWaalsContact O-N 3.08Å; F390-T394 PolarHBondContact O-OG1 3.35Å; F391-T394 PolarHBondContact O-N 3.27Å; T394-S396 PolarHBondContact O-N 2.98Å; T394-S396 PolarHBondContact OG1-N 3.28Å
395G94.4Very high96.2Very high38 Ų3851.9 Ų51.939%0.39226%0.26SS..  trans60.230.2-17200000113.2R298 F391 V397R298-G395 PolarHBondContact NH1-O 2.88Å; F391-G395 WeakPolarHBondContact O-CA 3.36Å; F391-G395 PolarHBondContact O-N 3.46Å; G395-V397 PolarHBondContact O-N 3.21Å
396S95.7Very high96Very high0 Ų050.4 Ų50.40%025%0.248CC..  trans-59.1119.6-178.31690000111.9E317 F390 F391 T394 V398 A399 E400E317-S396 WeakPolarHBondContact OE1-CB 3.35Å; E317-S396 PolarHBondContact OE1-OG 3.06Å; F390-S396 WeakPolarHBondContact CE1-OG 3.31Å; F391-S396 WeakPolarHBondContact CD2-O 3.18Å; T394-S396 PolarHBondContact O-N 2.98Å; T394-S396 PolarHBondContact OG1-N 3.28Å; S396-V398 PolarHBondContact O-N 3.02Å; S396-V398 PolarHBondContact OG-N 3.23Å; S396-A399 PolarHBondContact O-N 2.9Å; S396-A399 PolarHBondContact OG-N 3.24Å; S396-A399 VanDerWaalsContact OG-N 3.12Å; S396-E400 WeakPolarHBondContact O-CB 3.5Å; S396-E400 PolarHBondContact O-N 2.87Å
397V94Very high95.8Very high56 Ų5654.2 Ų54.234%0.33927%0.273SS..Hα-helixtrans-63.8-27.1174.3179.80000111.3G395 K401G395-V397 PolarHBondContact O-N 3.21Å; V397-K401 HydrophobicContact CG1-CD 4.36Å; V397-K401 WeakPolarHBondContact O-CD 3.48Å; V397-K401 VanDerWaalsContact O-CG 3.23Å; V397-K401 WeakPolarHBondContact O-CG 3.42Å; V397-K401 PolarHBondContact O-N 3.45Å
398V95Very high95.5Very high24 Ų2457.5 Ų57.515%0.14530%0.296CS..Hα-helixtrans-71.6-48.8175.9-178.50000110.2Q277 L335 S396 K401 L402Q277-V398 HydrophobicContact CB-CG2 3.68Å; Q277-V398 HydrophobicContact CG-CG2 3.94Å; L335-V398 HydrophobicContact CB-CG1 3.99Å; S396-V398 PolarHBondContact O-N 3.02Å; S396-V398 PolarHBondContact OG-N 3.23Å; V398-K401 PolarHBondContact O-N 3.49Å; V398-L402 HydrophobicContact CG1-CD1 4.38Å; V398-L402 WeakPolarHBondContact O-CG 3.29Å; V398-L402 PolarHBondContact O-N 3.2Å; V398-L402 VanDerWaalsContact O-N 3.16Å
399A95.9Very high95.3Very high0 Ų054.5 Ų54.50%028%0.282CS..Hα-helixtrans-61.6-44.3177.500000111.4L335 I387 F390 F391 S396 K401 L402 L403L335-A399 HydrophobicContact CD1-CB 4.24Å; I387-A399 HydrophobicContact CG2-CB 4.08Å; F390-A399 HydrophobicContact CD1-CB 3.73Å; F390-A399 HydrophobicContact CE1-CB 4.1Å; F391-A399 HydrophobicContact CB-CB 3.84Å; F391-A399 HydrophobicContact CD2-CB 4.48Å; S396-A399 PolarHBondContact O-N 2.9Å; S396-A399 PolarHBondContact OG-N 3.24Å; S396-A399 VanDerWaalsContact OG-N 3.12Å; A399-K401 VanDerWaalsContact C-N 3.3Å; A399-K401 PolarHBondContact O-N 3.2Å; A399-L402 WeakPolarHBondContact O-CB 3.47Å; A399-L402 PolarHBondContact O-N 2.82Å; A399-L403 WeakPolarHBondContact O-CG 3.49Å; A399-L403 PolarHBondContact O-N 3.37Å
400E96.8Very high95.1Very high62 Ų6252.9 Ų52.929%0.2928%0.275SS..Hα-helixtrans-54.2-45.6175.7-165.5-167.3-167.400112F391 S396 L402 L403 K404F391-E400 HydrophobicContact CD2-CB 3.81Å; F391-E400 HydrophobicContact CD2-CG 4.39Å; F391-E400 HydrophobicContact CE2-CB 3.46Å; F391-E400 VanDerWaalsContact CE2-CB 3.46Å; F391-E400 HydrophobicContact CE2-CG 3.63Å; F391-E400 HydrophobicContact CZ-CB 4.22Å; F391-E400 HydrophobicContact CZ-CG 3.89Å; S396-E400 WeakPolarHBondContact O-CB 3.5Å; S396-E400 PolarHBondContact O-N 2.87Å; E400-L402 VanDerWaalsContact C-N 3.31Å; E400-L402 PolarHBondContact O-N 3.03Å; E400-L403 PolarHBondContact O-N 3.14Å; E400-K404 HydrophobicContact CG-CD 4.25Å; E400-K404 WeakPolarHBondContact O-CB 3.09Å; E400-K404 WeakPolarHBondContact O-CG 3.48Å; E400-K404 PolarHBondContact O-N 3.19Å; E400-K404 VanDerWaalsContact OE1-CE 3.25Å; E400-K404 WeakPolarHBondContact OE1-CE 3.41Å; E400-K404 IonicContact OE1-NZ 3.73Å; E400-K404 PolarHBondContact OE1-NZ 2.91Å; E400-K404 IonicContact OE2-NZ 3.38Å
401K95.4Very high94.8Very high128 Ų12860.2 Ų60.256%0.55731%0.307SS*.Hα-helixtrans-65.6-32.7178.8-76.4170.9-176.21710112.8V397 V398 A399V397-K401 HydrophobicContact CG1-CD 4.36Å; V397-K401 WeakPolarHBondContact O-CD 3.48Å; V397-K401 VanDerWaalsContact O-CG 3.23Å; V397-K401 WeakPolarHBondContact O-CG 3.42Å; V397-K401 PolarHBondContact O-N 3.45Å; V398-K401 PolarHBondContact O-N 3.49Å; A399-K401 VanDerWaalsContact C-N 3.3Å; A399-K401 PolarHBondContact O-N 3.2Å
402L95.1Very high94.7Very high7 Ų760.1 Ų60.14%0.03731%0.307CS..Hα-helixtrans-73.7-47.4176.7-68.5171.7000110.8L335 Y354 V398 A399 E400 K405 W406 P409 F413L335-L402 HydrophobicContact CD1-CD1 4.39Å; L335-L402 HydrophobicContact CD2-CD1 3.77Å; L335-L402 HydrophobicContact CG-CD1 4.46Å; Y354-L402 HydrophobicContact CD1-CD2 4.47Å; Y354-L402 HydrophobicContact CD2-CD2 4.15Å; Y354-L402 HydrophobicContact CE1-CD2 3.97Å; Y354-L402 HydrophobicContact CE2-CD2 3.6Å; V398-L402 HydrophobicContact CG1-CD1 4.38Å; V398-L402 WeakPolarHBondContact O-CG 3.29Å; V398-L402 PolarHBondContact O-N 3.2Å; V398-L402 VanDerWaalsContact O-N 3.16Å; A399-L402 WeakPolarHBondContact O-CB 3.47Å; A399-L402 PolarHBondContact O-N 2.82Å; E400-L402 VanDerWaalsContact C-N 3.31Å; E400-L402 PolarHBondContact O-N 3.03Å; L402-K405 PolarHBondContact O-N 3.28Å; L402-W406 PolarHBondContact O-N 3.09Å; L402-W406 VanDerWaalsContact O-N 3.15Å; L402-P409 HydrophobicContact CD2-CB 3.71Å; L402-P409 HydrophobicContact CD2-CG 3.98Å; L402-F413 HydrophobicContact CD1-CZ 4.36Å
403L96Very high94.6Very high26 Ų2655.5 Ų55.514%0.13628%0.282CS..Hα-helixtrans-62.1-44.8179.9-67.9167.2000111.7L384 I387 Q388 F391 A399 E400 K405 W406L384-L403 HydrophobicContact CD1-CD2 3.68Å; I387-L403 HydrophobicContact CB-CD2 4.5Å; I387-L403 HydrophobicContact CG2-CD1 4.3Å; I387-L403 HydrophobicContact CG2-CD2 3.94Å; I387-L403 HydrophobicContact CG2-CG 3.93Å; Q388-L403 HydrophobicContact CB-CD2 4.37Å; F391-L403 HydrophobicContact CB-CD1 3.55Å; F391-L403 HydrophobicContact CD1-CD1 3.94Å; F391-L403 HydrophobicContact CG-CD1 3.81Å; A399-L403 WeakPolarHBondContact O-CG 3.49Å; A399-L403 PolarHBondContact O-N 3.37Å; E400-L403 PolarHBondContact O-N 3.14Å; L403-K405 PolarHBondContact O-N 3.21Å; L403-W406 VanDerWaalsContact O-CB 3.31Å; L403-W406 WeakPolarHBondContact O-CB 3.47Å; L403-W406 PolarHBondContact O-N 3.25Å
404K95.9Very high94.6Very high149 Ų14954.2 Ų54.265%0.64828%0.277SS*.THydrogen-bonded Turntrans-58.7-21176.5-77.7178.8-178.5169.60114.5E400E400-K404 HydrophobicContact CG-CD 4.25Å; E400-K404 WeakPolarHBondContact O-CB 3.09Å; E400-K404 WeakPolarHBondContact O-CG 3.48Å; E400-K404 PolarHBondContact O-N 3.19Å; E400-K404 VanDerWaalsContact OE1-CE 3.25Å; E400-K404 WeakPolarHBondContact OE1-CE 3.41Å; E400-K404 IonicContact OE1-NZ 3.73Å; E400-K404 PolarHBondContact OE1-NZ 2.91Å; E400-K404 IonicContact OE2-NZ 3.38Å
405K94.4Very high94.5Very high152 Ų15255.3 Ų55.366%0.66128%0.281SS*.THydrogen-bonded Turntrans-110.83.1-179.2-66.1-175.8178.9-176.50112.9L402 L403 S408 P409L402-K405 PolarHBondContact O-N 3.28Å; L403-K405 PolarHBondContact O-N 3.21Å; K405-S408 WeakPolarHBondContact O-CB 3.31Å; K405-S408 PolarHBondContact O-N 3.07Å; K405-P409 HydrophobicContact CB-CG 4.13Å; K405-P409 WeakPolarHBondContact O-CD 3.49Å
406W93.2Very high94.5Very high59 Ų5953.5 Ų53.522%0.22326%0.262CS..THydrogen-bonded Turntrans-61139.9-177.1-161.1-99.9000111.1L383 L384 I387 L402 L403 I410 F413L383-W406 HydrophobicContact CD2-CH2 4.04Å; L383-W406 HydrophobicContact CG-CH2 4.08Å; L384-W406 HydrophobicContact CB-CZ2 3.84Å; L384-W406 HydrophobicContact CD1-CD2 3.94Å; L384-W406 HydrophobicContact CD1-CG 4.03Å; L384-W406 HydrophobicContact CD1-CZ2 4.25Å; I387-W406 HydrophobicContact CD1-CZ3 4.28Å; L402-W406 PolarHBondContact O-N 3.09Å; L402-W406 VanDerWaalsContact O-N 3.15Å; L403-W406 VanDerWaalsContact O-CB 3.31Å; L403-W406 WeakPolarHBondContact O-CB 3.47Å; L403-W406 PolarHBondContact O-N 3.25Å; W406-I410 HydrophobicContact CD2-CD1 4.46Å; W406-I410 HydrophobicContact CD2-CG1 4.31Å; W406-I410 HydrophobicContact CE3-CG1 4.27Å; W406-I410 HydrophobicContact CH2-CD1 3.95Å; W406-I410 HydrophobicContact CH2-CG1 3.38Å; W406-I410 HydrophobicContact CZ2-CD1 3.38Å; W406-I410 HydrophobicContact CZ2-CG1 3.39Å; W406-I410 HydrophobicContact CZ3-CG1 3.83Å; W406-F413 HydrophobicContact CZ3-CE2 4.27Å
407P91.7Very high94.2Very high87 Ų8755 Ų5557%0.56527%0.27SS*.THydrogen-bonded Turncis-90.48.45.235.5-35.9000115.1P409 I410P407-P409 VanDerWaalsContact C-CD 3.45Å; P407-P409 VanDerWaalsContact C-N 3.35Å; P407-I410 HydrophobicContact CB-CD1 3.66Å; P407-I410 HydrophobicContact CB-CG1 4.38Å; P407-I410 WeakPolarHBondContact O-CB 3.04Å; P407-I410 VanDerWaalsContact O-CG1 3.31Å; P407-I410 WeakPolarHBondContact O-CG1 3.22Å; P407-I410 PolarHBondContact O-N 2.72Å; P407-I410 VanDerWaalsContact O-N 3.09Å
408S92.4Very high93.7Very high69 Ų6955 Ų5548%0.48327%0.267SS..G310 helixtrans-54.6-37.7-173.5-164.70000114.9K405 I410 K411K405-S408 WeakPolarHBondContact O-CB 3.31Å; K405-S408 PolarHBondContact O-N 3.07Å; S408-I410 VanDerWaalsContact C-N 3.29Å; S408-I410 PolarHBondContact O-N 3.14Å; S408-K411 WeakPolarHBondContact O-CE 3.3Å; S408-K411 WeakPolarHBondContact O-CG 3.45Å
409P93Very high92.9Very high7 Ų758.3 Ų58.35%0.04528%0.277CS..G310 helixtrans-67.2-17.6178.1-24.235.5000115.9Y354 L402 K405 P407 K411 H412Y354-P409 HydrophobicContact CE2-CB 4Å; L402-P409 HydrophobicContact CD2-CB 3.71Å; L402-P409 HydrophobicContact CD2-CG 3.98Å; K405-P409 HydrophobicContact CB-CG 4.13Å; K405-P409 WeakPolarHBondContact O-CD 3.49Å; P407-P409 VanDerWaalsContact C-CD 3.45Å; P407-P409 VanDerWaalsContact C-N 3.35Å; P409-K411 PolarHBondContact O-N 3.46Å; P409-K411 VanDerWaalsContact O-N 3.14Å; P409-H412 WeakPolarHBondContact O-CB 3.38Å; P409-H412 PolarHBondContact O-N 3.34Å
410I92.9Very high91.1Very high21 Ų2163.3 Ų63.311%0.10830%0.303CS..G310 helixtrans-53.6-38.8-176.2-67.3175.9000111.8V374 K380 W406 P407 S408 H412 F413V374-I410 HydrophobicContact CB-CG2 4.19Å; V374-I410 HydrophobicContact CG1-CG2 4.43Å; K380-I410 HydrophobicContact CD-CD1 4.45Å; K380-I410 HydrophobicContact CG-CD1 4.21Å; K380-I410 HydrophobicContact CG-CG2 4.48Å; W406-I410 HydrophobicContact CD2-CD1 4.46Å; W406-I410 HydrophobicContact CD2-CG1 4.31Å; W406-I410 HydrophobicContact CE3-CG1 4.27Å; W406-I410 HydrophobicContact CH2-CD1 3.95Å; W406-I410 HydrophobicContact CH2-CG1 3.38Å; W406-I410 HydrophobicContact CZ2-CD1 3.38Å; W406-I410 HydrophobicContact CZ2-CG1 3.39Å; W406-I410 HydrophobicContact CZ3-CG1 3.83Å; P407-I410 HydrophobicContact CB-CD1 3.66Å; P407-I410 HydrophobicContact CB-CG1 4.38Å; P407-I410 WeakPolarHBondContact O-CB 3.04Å; P407-I410 VanDerWaalsContact O-CG1 3.31Å; P407-I410 WeakPolarHBondContact O-CG1 3.22Å; P407-I410 PolarHBondContact O-N 2.72Å; P407-I410 VanDerWaalsContact O-N 3.09Å; S408-I410 VanDerWaalsContact C-N 3.29Å; S408-I410 PolarHBondContact O-N 3.14Å; I410-H412 PolarHBondContact O-N 3.47Å; I410-F413 PolarHBondContact O-N 2.88Å
411K92.6Very high88.8Confident155 Ų15565.5 Ų65.567%0.67432%0.32SS*.G310 helixtrans-62.5-13178.872-172.5171.3178.40114.9S408 P409S408-K411 WeakPolarHBondContact O-CE 3.3Å; S408-K411 WeakPolarHBondContact O-CG 3.45Å; P409-K411 PolarHBondContact O-N 3.46Å; P409-K411 VanDerWaalsContact O-N 3.14Å
412H94.4Very high86.1Confident54 Ų5466 Ų6625%0.2533%0.328CS..G310 helixtrans-101.2-4.3177.3-63.1-64.9000112.5Y354 D355 P409 I410Y354-H412 HydrophobicContact CD2-CB 4.05Å; Y354-H412 HydrophobicContact CE2-CB 3.59Å; D355-H412 PolarHBondContact N-O 3.18Å; P409-H412 WeakPolarHBondContact O-CB 3.38Å; P409-H412 PolarHBondContact O-N 3.34Å; I410-H412 PolarHBondContact O-N 3.47Å
413F95.9Very high83Confident6 Ų675.2 Ų75.23%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-83.7134.6171.3-78.9-87.7000110.8V333 L335 V353 Y354 V374 L383 I387 L402 W406 I410V333-F413 HydrophobicContact CG1-CE1 4.2Å; L335-F413 HydrophobicContact CD2-CE1 4.14Å; L335-F413 HydrophobicContact CD2-CZ 3.98Å; V353-F413 CarbonylContact O-C 3.51Å; V353-F413 WeakPolarHBondContact O-CA 3.07Å; Y354-F413 HydrophobicContact CD2-CD1 4.47Å; Y354-F413 AromaticContact CD2-CD2 3.82Å; Y354-F413 HydrophobicContact CD2-CD2 3.82Å; Y354-F413 HydrophobicContact CD2-CE1 4.21Å; Y354-F413 AromaticContact CD2-CE2 3.52Å; Y354-F413 HydrophobicContact CD2-CE2 3.52Å; Y354-F413 HydrophobicContact CD2-CG 4.3Å; Y354-F413 AromaticContact CD2-CZ 3.73Å; Y354-F413 HydrophobicContact CD2-CZ 3.73Å; Y354-F413 HydrophobicContact CE2-CD2 4.49Å; Y354-F413 HydrophobicContact CE2-CE2 4.17Å; Y354-F413 HydrophobicContact CG-CE1 4.39Å; Y354-F413 HydrophobicContact CG-CE2 4.39Å; Y354-F413 HydrophobicContact CG-CZ 4.15Å; V374-F413 HydrophobicContact CG2-CB 3.81Å; L383-F413 HydrophobicContact CD1-CD1 4.27Å; L383-F413 HydrophobicContact CD1-CE1 4.01Å; L383-F413 HydrophobicContact CD1-CZ 4.39Å; L383-F413 HydrophobicContact CD2-CB 4.18Å; L383-F413 HydrophobicContact CD2-CD1 3.94Å; L383-F413 HydrophobicContact CD2-CD2 3.91Å; L383-F413 HydrophobicContact CD2-CE1 4.26Å; L383-F413 HydrophobicContact CD2-CE2 4.23Å; L383-F413 HydrophobicContact CD2-CG 3.75Å; L383-F413 HydrophobicContact CD2-CZ 4.4Å; I387-F413 HydrophobicContact CD1-CE1 4.39Å; I387-F413 HydrophobicContact CD1-CE2 4.29Å; I387-F413 HydrophobicContact CD1-CZ 3.67Å; L402-F413 HydrophobicContact CD1-CZ 4.36Å; W406-F413 HydrophobicContact CZ3-CE2 4.27Å; I410-F413 PolarHBondContact O-N 2.88Å
414V95.2Very high79.7Confident31 Ų3184.5 Ų84.519%0.18840%0.402CS..EExtended strand (participates in β ladder)trans-105.9125.9169.3-177.30000107.9Y352 V353 D355 F360 L371Y352-V414 WeakPolarHBondContact CA-O 3.42Å; V353-V414 PolarHBondContact N-O 3.07Å; V353-V414 PolarHBondContact O-N 3.28Å; D355-V414 HydrophobicContact CB-CG2 4.02Å; F360-V414 HydrophobicContact CD1-CB 4.07Å; F360-V414 HydrophobicContact CD1-CG1 3.93Å; F360-V414 HydrophobicContact CD1-CG2 4.45Å; F360-V414 HydrophobicContact CE1-CG1 4.17Å; L371-V414 HydrophobicContact CB-CG1 3.95Å; L371-V414 HydrophobicContact CD2-CG1 4.08Å; L371-V414 HydrophobicContact CG-CG1 4.44Å
415K95Very high76.7Confident31 Ų3183.2 Ų83.214%0.13541%0.406CS..EExtended strand (participates in β ladder)trans-84.9129170.9-176.5179.7177.4173.60109I350 V351 Y352 L371 D372 V374 D379I350-K415 HydrophobicContact CG2-CD 4.42Å; I350-K415 HydrophobicContact CG2-CG 3.96Å; V351-K415 CarbonylContact O-C 3.54Å; V351-K415 WeakPolarHBondContact O-CA 3.45Å; Y352-K415 HydrophobicContact CD1-CB 4.35Å; Y352-K415 HydrophobicContact CD1-CG 4.37Å; Y352-K415 HydrophobicContact CE1-CB 4.45Å; Y352-K415 HydrophobicContact CE1-CD 4.33Å; Y352-K415 HydrophobicContact CE1-CG 4.09Å; L371-K415 WeakPolarHBondContact CA-O 3.16Å; D372-K415 HydrophobicContact CB-CB 4.38Å; D372-K415 PolarHBondContact N-O 3.36Å; D372-K415 WeakPolarHBondContact O-CA 3.49Å; D372-K415 WeakPolarHBondContact O-CB 3.21Å; D372-K415 PolarHBondContact O-N 3.01Å; V374-K415 HydrophobicContact CG2-CB 4.17Å; D379-K415 VanDerWaalsContact CG-NZ 3.26Å; D379-K415 IonicContact OD1-NZ 2.8Å; D379-K415 PolarHBondContact OD1-NZ 2.92Å; D379-K415 VanDerWaalsContact OD1-NZ 3.08Å; D379-K415 IonicContact OD2-NZ 3.1Å; D379-K415 PolarHBondContact OD2-NZ 3.08Å
416V93.7Very high73.7Confident0 Ų082 Ų820%041%0.411CS..EExtended strand (participates in β ladder)trans-109.2123.8172.9-166.40000108.4F342 A343 M346 V351 V353 F360 V369 L371F342-V416 HydrophobicContact CE1-CG2 4.45Å; A343-V416 HydrophobicContact CB-CG1 4.06Å; M346-V416 HydrophobicContact SD-CG1 4.17Å; V351-V416 HydrophobicContact CB-CB 4.05Å; V351-V416 HydrophobicContact CB-CG2 4.26Å; V351-V416 PolarHBondContact N-O 3.48Å; V351-V416 VanDerWaalsContact N-O 3.09Å; V351-V416 PolarHBondContact O-N 2.82Å; V353-V416 HydrophobicContact CG2-CG2 4.35Å; F360-V416 HydrophobicContact CE1-CG2 3.47Å; F360-V416 VanDerWaalsContact CE1-CG2 3.47Å; F360-V416 HydrophobicContact CZ-CG2 3.65Å; V369-V416 HydrophobicContact CB-CG1 3.86Å; V369-V416 HydrophobicContact CG1-CG1 4.1Å; V369-V416 HydrophobicContact CG2-CG1 3.92Å; L371-V416 HydrophobicContact CD2-CB 4.32Å; L371-V416 HydrophobicContact CD2-CG1 4.08Å; L371-V416 HydrophobicContact CD2-CG2 3.8Å
417N90Very high70.7Confident31 Ų3186.8 Ų86.817%0.16644%0.441CS..EExtended strand (participates in β ladder)trans-139.1159.3-178.657.6-14.9000110.5V369 D370 D372 R419V369-N417 CarbonylContact C-O 3.57Å; V369-N417 WeakPolarHBondContact CA-O 3.12Å; V369-N417 WeakPolarHBondContact CB-O 3.34Å; D370-N417 PolarHBondContact N-O 3.44Å; D370-N417 PolarHBondContact O-N 2.81Å; D370-N417 PolarHBondContact O-OD1 3.21Å; D370-N417 VanDerWaalsContact O-OD1 3.06Å; D372-N417 PolarHBondContact OD2-ND2 3.01Å; D372-N417 PolarHBondContact OD2-OD1 2.82Å; N417-R419 PolarHBondContact O-N 3.04Å
418M84.3Confident67.9Low57 Ų5788.7 Ų88.728%0.28145%0.451SS..EExtended strand (participates in β ladder)trans-61.9133.4175.5-175.8-167.9-169.300110.9I420 P433M418-I420 PolarHBondContact O-N 2.92Å; M418-P433 HydrophobicContact CE-CB 3.83Å; M418-P433 HydrophobicContact CE-CG 4.17Å; M418-P433 HydrophobicContact SD-CB 4.19Å; M418-P433 HydrophobicContact SD-CG 3.84Å
419R77.2Confident64.7Low93 Ų9393.7 Ų93.735%0.35147%0.471SS..  trans-63.8122173.7174.9172.7-66.3141.112.1110.7L366 S368 V369 D370 N417 V421L366-R419 PolarHBondContact O-NH1 3.19Å; L366-R419 PolarHBondContact O-NH2 3.11Å; S368-R419 PolarHBondContact O-N 3.07Å; V369-R419 PolarHBondContact O-NH2 3.14Å; D370-R419 IonicContact OD1-CZ 3.88Å; D370-R419 VanDerWaalsContact OD1-CZ 3.26Å; D370-R419 IonicContact OD1-NE 3.48Å; D370-R419 PolarHBondContact OD1-NE 3.28Å; D370-R419 IonicContact OD1-NH2 2.87Å; D370-R419 PolarHBondContact OD1-NH2 3.38Å; D370-R419 VanDerWaalsContact OD2-CA 3.31Å; D370-R419 WeakPolarHBondContact OD2-CA 3.33Å; D370-R419 WeakPolarHBondContact OD2-CB 3.47Å; D370-R419 VanDerWaalsContact OD2-CG 3.28Å; D370-R419 WeakPolarHBondContact OD2-CG 3.45Å; D370-R419 IonicContact OD2-NE 3.9Å; N417-R419 PolarHBondContact O-N 3.04Å; R419-V421 HydrophobicContact CG-CG2 4.13Å
420I58.6Low61.7Low104 Ų104100 Ų10053%0.53350%0.5SS..  trans-95.3102.9175.3-56.8177.2000108.6M418 L422 V431M418-I420 PolarHBondContact O-N 2.92Å; I420-L422 HydrophobicContact CG2-CD2 4.41Å; I420-L422 HydrophobicContact CG2-CG 4.33Å; I420-L422 PolarHBondContact O-N 2.8Å; I420-V431 HydrophobicContact CG2-CG1 4.18Å
421V49.1Very low58.8Low108 Ų108102.9 Ų102.966%0.65552%0.518SS*.  trans-82.395.6173.8-174.90000109.9R419 R423R419-V421 HydrophobicContact CG-CG2 4.13Å; V421-R423 HydrophobicContact CG1-CG 4.4Å; V421-R423 PolarHBondContact O-N 2.87Å; V421-R423 VanDerWaalsContact O-N 3.13Å
422L36.8Very low56.1Low139 Ų13999.4 Ų99.473%0.72850%0.503SS*.  trans-71.397.9169.4-68.7168.3000110I420I420-L422 HydrophobicContact CG2-CD2 4.41Å; I420-L422 HydrophobicContact CG2-CG 4.33Å; I420-L422 PolarHBondContact O-N 2.8Å
423R30.6Very low53.6Low200 Ų20099.2 Ų99.276%0.75551%0.507SS*.  trans-91112.4163.6-87.6-174.6174.9-171.9-2.2109.2V421 V425V421-R423 HydrophobicContact CG1-CG 4.4Å; V421-R423 PolarHBondContact O-N 2.87Å; V421-R423 VanDerWaalsContact O-N 3.13Å; R423-V425 PolarHBondContact O-N 2.79Å
424K26.8Very low50.9Low221 Ų221108.4 Ų108.496%0.96155%0.547SS*.  trans-53106.1169.5-86.4-179.3173.6176.90109.8
425V34Very low48.4Very low123 Ų123115.3 Ų115.375%0.74558%0.578SS**  trans-123.5132158.8-177.70000106.1R423R423-V425 PolarHBondContact O-N 2.79Å
426T31.4Very low45.9Very low125 Ų125120.3 Ų120.377%0.76760%0.596SS**SBendtrans-47.7131.9-165.7-190000114.4
427L28.2Very low43.3Very low160 Ų160125 Ų12584%0.83862%0.617SS**SBendtrans59.162.4156.7-69.4157.3000118.4
428T33Very low41.3Very low128 Ų128127.7 Ų127.779%0.78563%0.625SS**  trans179.9120.6136.313.80000108.6Q430T428-Q430 PolarHBondContact O-N 3.18Å; T428-Q430 VanDerWaalsContact O-N 3.08Å
429L26.6Very low39.7Very low174 Ų174128.5 Ų128.591%0.91163%0.632SS**  trans-75.191.3178.8-92150.8000109.6
430Q28.8Very low38.1Very low140 Ų140127.6 Ų127.665%0.65463%0.633SS**  trans-134.4123.5165-79.3-175.8-20.200110.5T428 F432T428-Q430 PolarHBondContact O-N 3.18Å; T428-Q430 VanDerWaalsContact O-N 3.08Å; Q430-F432 HydrophobicContact CB-CE2 4.49Å
431V32.7Very low37.7Very low80 Ų80127.9 Ų127.949%0.48563%0.632SS.*  trans-93.7112.2-166-1800000109.7I420I420-V431 HydrophobicContact CG2-CG1 4.18Å
432F35.7Very low38.1Very low82 Ų82125 Ų12536%0.3661%0.612SS.*  trans-150.6141.5170.1-69.8-70.1000113.1Q430 Y436 K437 M440Q430-F432 HydrophobicContact CB-CE2 4.49Å; F432-Y436 AromaticContact CD1-CD1 3.79Å; F432-Y436 HydrophobicContact CD1-CD1 3.79Å; F432-Y436 HydrophobicContact CD1-CG 4.47Å; F432-Y436 HydrophobicContact CE1-CD1 4.16Å; F432-K437 HydrophobicContact CB-CB 3.91Å; F432-K437 HydrophobicContact CB-CG 4.36Å; F432-K437 HydrophobicContact CD2-CG 4.34Å; F432-M440 HydrophobicContact CD1-CG 4.3Å; F432-M440 HydrophobicContact CE1-CG 3.85Å; F432-M440 HydrophobicContact CZ-CB 4.4Å; F432-M440 HydrophobicContact CZ-CE 4.34Å; F432-M440 HydrophobicContact CZ-CG 4.03Å
433P41.3Very low38.8Very low51 Ų51122.5 Ų122.533%0.33160%0.598SS.*  trans-54150.2166.7-21.831.7000111.3M418 E435 Y436M418-P433 HydrophobicContact CE-CB 3.83Å; M418-P433 HydrophobicContact CE-CG 4.17Å; M418-P433 HydrophobicContact SD-CB 4.19Å; M418-P433 HydrophobicContact SD-CG 3.84Å; P433-E435 PolarHBondContact O-N 3.08Å; P433-Y436 PolarHBondContact O-N 3.15Å
434K39.6Very low40.2Very low198 Ų198115.1 Ų115.186%0.86158%0.58SS**THydrogen-bonded Turntrans-50.8-17-171.8-93.7-179.6174.6177.40116.1
435E43.6Very low41.8Very low177 Ų177107.1 Ų107.183%0.82755%0.552SS**THydrogen-bonded Turntrans-108.9-18.5179.4-72.8169.5158.800114.1P433P433-E435 PolarHBondContact O-N 3.08Å
436Y42.1Very low43Very low136 Ų136105.6 Ų105.653%0.53354%0.539SS..Hα-helixtrans-85.2-27.7-173.1-141.1-93.4000113.5F432 P433 R438 V439 M440F432-Y436 AromaticContact CD1-CD1 3.79Å; F432-Y436 HydrophobicContact CD1-CD1 3.79Å; F432-Y436 HydrophobicContact CD1-CG 4.47Å; F432-Y436 HydrophobicContact CE1-CD1 4.16Å; P433-Y436 PolarHBondContact O-N 3.15Å; Y436-R438 PolarHBondContact O-N 3.04Å; Y436-V439 PolarHBondContact O-N 2.59Å; Y436-M440 HydrophobicContact CD1-CG 3.81Å; Y436-M440 HydrophobicContact CD1-SD 4.43Å; Y436-M440 HydrophobicContact CE1-CG 4.03Å; Y436-M440 HydrophobicContact CE1-SD 4.04Å; Y436-M440 PolarHBondContact O-N 2.95Å
437K39.6Very low43.8Very low98 Ų98105.2 Ų105.243%0.42653%0.529SS..Hα-helixtrans-58.4-35.6-177.3-161.1177.2-176.4-174.50112.9F432 E441F432-K437 HydrophobicContact CB-CB 3.91Å; F432-K437 HydrophobicContact CB-CG 4.36Å; F432-K437 HydrophobicContact CD2-CG 4.34Å; K437-E441 WeakPolarHBondContact CE-OE1 3.28Å; K437-E441 IonicContact NZ-OE1 3.24Å; K437-E441 WeakPolarHBondContact O-CB 3.38Å; K437-E441 WeakPolarHBondContact O-CG 3.4Å; K437-E441 PolarHBondContact O-N 3.16Å
438R47.6Very low45Very low88 Ų88103 Ų10333%0.33252%0.515SS..Hα-helixtrans-71.7-38.4-177-163.7179.5-175.8170.51.7112.8N64 Q73 Y436 E442N64-R438 PolarHBondContact ND2-NH1 3.02Å; N64-R438 VanDerWaalsContact ND2-NH1 3.19Å; N64-R438 PolarHBondContact ND2-NH2 2.89Å; N64-R438 PolarHBondContact OD1-NH2 2.87Å; N64-R438 VanDerWaalsContact OD1-NH2 3.14Å; Q73-R438 PolarHBondContact O-NH2 2.73Å; Y436-R438 PolarHBondContact O-N 3.04Å; R438-E442 WeakPolarHBondContact O-CB 3.18Å; R438-E442 PolarHBondContact O-N 3.16Å
439V50.8Low46Very low73 Ų73104 Ų10444%0.44251%0.508SS..Hα-helixtrans-68.8-40178-179.90000110.3Y436 E442 L443Y436-V439 PolarHBondContact O-N 2.59Å; V439-E442 PolarHBondContact O-N 3.47Å; V439-L443 HydrophobicContact CG1-CD1 3.95Å; V439-L443 HydrophobicContact CG1-CG 4.45Å; V439-L443 WeakPolarHBondContact O-CB 3.42Å; V439-L443 VanDerWaalsContact O-CG 3.28Å; V439-L443 WeakPolarHBondContact O-CG 3.45Å; V439-L443 PolarHBondContact O-N 3.16Å
440M42.5Very low46.9Very low75 Ų75103.3 Ų103.337%0.36950%0.498SS..Hα-helixtrans-71.6-39.2178.2-64.9-61.9-68.800112.9F432 Y436 E442 L443 A444F432-M440 HydrophobicContact CD1-CG 4.3Å; F432-M440 HydrophobicContact CE1-CG 3.85Å; F432-M440 HydrophobicContact CZ-CB 4.4Å; F432-M440 HydrophobicContact CZ-CE 4.34Å; F432-M440 HydrophobicContact CZ-CG 4.03Å; Y436-M440 HydrophobicContact CD1-CG 3.81Å; Y436-M440 HydrophobicContact CD1-SD 4.43Å; Y436-M440 HydrophobicContact CE1-CG 4.03Å; Y436-M440 HydrophobicContact CE1-SD 4.04Å; Y436-M440 PolarHBondContact O-N 2.95Å; M440-E442 VanDerWaalsContact C-N 3.35Å; M440-L443 PolarHBondContact O-N 2.87Å; M440-L443 HydrophobicContact SD-CD1 4.37Å; M440-A444 VanDerWaalsContact O-CB 3.26Å; M440-A444 WeakPolarHBondContact O-CB 3.38Å; M440-A444 PolarHBondContact O-N 3.23Å
441E51.9Low47.6Very low109 Ų109103.8 Ų103.851%0.50950%0.501SS..Hα-helixtrans-64.6-38.7172.9-75.3170.6178.500111.5K437 S445K437-E441 WeakPolarHBondContact CE-OE1 3.28Å; K437-E441 IonicContact NZ-OE1 3.24Å; K437-E441 WeakPolarHBondContact O-CB 3.38Å; K437-E441 WeakPolarHBondContact O-CG 3.4Å; K437-E441 PolarHBondContact O-N 3.16Å; E441-S445 WeakPolarHBondContact O-CB 3.31Å; E441-S445 PolarHBondContact O-N 2.88Å; E441-S445 PolarHBondContact O-OG 2.9Å
442E56Low48.1Very low48 Ų48107.4 Ų107.422%0.22451%0.512CS..Hα-helixtrans-66-48173.2-85.1-178.1149.500111.9R78 R438 V439 M440 A444 S445 I446R78-E442 IonicContact NH1-OE1 3.29Å; R438-E442 WeakPolarHBondContact O-CB 3.18Å; R438-E442 PolarHBondContact O-N 3.16Å; V439-E442 PolarHBondContact O-N 3.47Å; M440-E442 VanDerWaalsContact C-N 3.35Å; E442-A444 PolarHBondContact O-N 3.5Å; E442-S445 PolarHBondContact O-N 2.9Å; E442-S445 PolarHBondContact O-OG 3.41Å; E442-I446 WeakPolarHBondContact O-CB 3.37Å; E442-I446 VanDerWaalsContact O-CG1 3.23Å; E442-I446 WeakPolarHBondContact O-CG1 3.49Å; E442-I446 PolarHBondContact O-N 3.05Å
443L51.2Low48.2Very low86 Ų86107.5 Ų107.545%0.4552%0.523SS..Hα-helixtrans-60.8-43.3177.6-76.2168.6000112V439 M440 I446 Q447V439-L443 HydrophobicContact CG1-CD1 3.95Å; V439-L443 HydrophobicContact CG1-CG 4.45Å; V439-L443 WeakPolarHBondContact O-CB 3.42Å; V439-L443 VanDerWaalsContact O-CG 3.28Å; V439-L443 WeakPolarHBondContact O-CG 3.45Å; V439-L443 PolarHBondContact O-N 3.16Å; M440-L443 PolarHBondContact O-N 2.87Å; M440-L443 HydrophobicContact SD-CD1 4.37Å; L443-I446 PolarHBondContact O-N 3.19Å; L443-Q447 WeakPolarHBondContact O-CB 3.1Å; L443-Q447 PolarHBondContact O-N 2.77Å
444A61.1Low47.8Very low45 Ų45110.6 Ų110.637%0.37254%0.543SS..Hα-helixtrans-63.2-41.6175.200000111.5M440 E442 I446 Q447 M448M440-A444 VanDerWaalsContact O-CB 3.26Å; M440-A444 WeakPolarHBondContact O-CB 3.38Å; M440-A444 PolarHBondContact O-N 3.23Å; E442-A444 PolarHBondContact O-N 3.5Å; A444-I446 VanDerWaalsContact C-N 3.33Å; A444-I446 PolarHBondContact O-N 3.28Å; A444-Q447 PolarHBondContact O-N 3.23Å; A444-M448 WeakPolarHBondContact O-CB 3.39Å; A444-M448 VanDerWaalsContact O-CG 3.27Å; A444-M448 WeakPolarHBondContact O-CG 3.49Å; A444-M448 PolarHBondContact O-N 2.99Å
445S60.2Low47.6Very low53 Ų53110.3 Ų110.337%0.37155%0.545SS..Hα-helixtrans-68-31.7176.375.50000113.3E441 E442 K449E441-S445 WeakPolarHBondContact O-CB 3.31Å; E441-S445 PolarHBondContact O-N 2.88Å; E441-S445 PolarHBondContact O-OG 2.9Å; E442-S445 PolarHBondContact O-N 2.9Å; E442-S445 PolarHBondContact O-OG 3.41Å; S445-K449 WeakPolarHBondContact O-CB 3.2Å; S445-K449 VanDerWaalsContact O-CG 3.28Å; S445-K449 WeakPolarHBondContact O-CG 3.15Å; S445-K449 PolarHBondContact O-N 2.87Å
446I58.4Low47Very low91 Ų91107.7 Ų107.747%0.46754%0.541SS..Hα-helixtrans-73.5-39.7175-69164.5000110.2E442 L443 A444 K450E442-I446 WeakPolarHBondContact O-CB 3.37Å; E442-I446 VanDerWaalsContact O-CG1 3.23Å; E442-I446 WeakPolarHBondContact O-CG1 3.49Å; E442-I446 PolarHBondContact O-N 3.05Å; L443-I446 PolarHBondContact O-N 3.19Å; A444-I446 VanDerWaalsContact C-N 3.33Å; A444-I446 PolarHBondContact O-N 3.28Å; I446-K450 WeakPolarHBondContact O-CB 3.32Å; I446-K450 WeakPolarHBondContact O-CG 3.1Å; I446-K450 PolarHBondContact O-N 3.44Å
447Q49.3Very low46.7Very low118 Ų118109 Ų10955%0.55156%0.555SS**Hα-helixtrans-66-47173.9-90.1168.1-40.800111.6L443 A444 K449 K450 E451L443-Q447 WeakPolarHBondContact O-CB 3.1Å; L443-Q447 PolarHBondContact O-N 2.77Å; A444-Q447 PolarHBondContact O-N 3.23Å; Q447-K449 VanDerWaalsContact C-N 3.32Å; Q447-K449 PolarHBondContact O-N 3.27Å; Q447-K450 CarbonylContact O-C 3.6Å; Q447-K450 PolarHBondContact O-N 2.64Å; Q447-K450 VanDerWaalsContact O-N 3.11Å; Q447-E451 WeakPolarHBondContact O-CB 3.38Å; Q447-E451 WeakPolarHBondContact O-CG 3.43Å; Q447-E451 PolarHBondContact O-N 2.7Å
448M53.4Low46.2Very low113 Ų113112.9 Ų112.956%0.55758%0.575SS**Hα-helixtrans-61.3-39.7175.9-70.2-175.482.800112A444 E451 E452A444-M448 WeakPolarHBondContact O-CB 3.39Å; A444-M448 VanDerWaalsContact O-CG 3.27Å; A444-M448 WeakPolarHBondContact O-CG 3.49Å; A444-M448 PolarHBondContact O-N 2.99Å; M448-E451 PolarHBondContact O-N 3.24Å; M448-E452 WeakPolarHBondContact O-CB 3.48Å; M448-E452 WeakPolarHBondContact O-CG 3.5Å; M448-E452 PolarHBondContact O-N 2.99Å
449K53Low45.5Very low148 Ų148112.4 Ų112.464%0.64360%0.597SS**Hα-helixtrans-69.7-31.1174.4-77.1180176.9-176.50113.8S445 Q447 S453S445-K449 WeakPolarHBondContact O-CB 3.2Å; S445-K449 VanDerWaalsContact O-CG 3.28Å; S445-K449 WeakPolarHBondContact O-CG 3.15Å; S445-K449 PolarHBondContact O-N 2.87Å; Q447-K449 VanDerWaalsContact C-N 3.32Å; Q447-K449 PolarHBondContact O-N 3.27Å; K449-S453 PolarHBondContact O-OG 2.76Å
450K45.4Very low44.6Very low161 Ų161117.9 Ų117.970%0.762%0.618SS**Hα-helixtrans-72.7-29.8171.9-86.8-174.7169.7-172.30112.3I446 Q447I446-K450 WeakPolarHBondContact O-CB 3.32Å; I446-K450 WeakPolarHBondContact O-CG 3.1Å; I446-K450 PolarHBondContact O-N 3.44Å; Q447-K450 CarbonylContact O-C 3.6Å; Q447-K450 PolarHBondContact O-N 2.64Å; Q447-K450 VanDerWaalsContact O-N 3.11Å
451E43.6Very low44.1Very low150 Ų150120.9 Ų120.970%0.70164%0.643SS**Hα-helixtrans-82-26.2177.3-73.1173.5176.600112.6Q447 M448Q447-E451 WeakPolarHBondContact O-CB 3.38Å; Q447-E451 WeakPolarHBondContact O-CG 3.43Å; Q447-E451 PolarHBondContact O-N 2.7Å; M448-E451 PolarHBondContact O-N 3.24Å
452E44Very low43.1Very low155 Ų155119.2 Ų119.272%0.72466%0.655SS**SBendtrans-84.50.3177.1-75.2179168.200114.6M448M448-E452 WeakPolarHBondContact O-CB 3.48Å; M448-E452 WeakPolarHBondContact O-CG 3.5Å; M448-E452 PolarHBondContact O-N 2.99Å
453S36.9Very low41.8Very low85 Ų85128.2 Ų128.259%0.59469%0.689SS**  trans-149.784.9175.246.80000112.7K449 E455K449-S453 PolarHBondContact O-OG 2.76Å; S453-E455 PolarHBondContact O-N 3.19Å; S453-E455 VanDerWaalsContact O-N 3.1Å
454P33.2Very low40.9Very low115 Ų115133.8 Ų133.875%0.74771%0.709SS**  trans-83.286.4178.833-30.4000110.2
455E37Very low39.4Very low192 Ų192140.1 Ų140.190%0.89773%0.731SS**  trans-107.7108.7155.3-80.8-172.6168.800109S453S453-E455 PolarHBondContact O-N 3.19Å; S453-E455 VanDerWaalsContact O-N 3.1Å
456V30.6Very low38.1Very low123 Ų123144.8 Ų144.875%0.74575%0.752SS**  trans-73.8119.4179.9176.60000109.1E458V456-E458 HydrophobicContact CG1-CG 4.28Å
457I34.7Very low36.8Very low163 Ų163148 Ų14884%0.83677%0.768SS**  trans-129.6106156.9-56.6179.5000107.2
458E29.1Very low35.8Very low179 Ų179150.4 Ų150.484%0.83678%0.784SS**  trans-67.7137.6169.1-68.9177.6152.700110.2V456V456-E458 HydrophobicContact CG1-CG 4.28Å
459G32.7Very low35Very low78 Ų78152.8 Ų152.880%0.80479%0.794SS**  trans-179.2113.8173.500000112.8
460E33Very low34.1Very low188 Ų188154.2 Ų154.288%0.87980%0.803SS**  trans-55.7151.1-173.3-60.5173.8144.500115.8G462E460-G462 PolarHBondContact O-N 2.95Å
461P31.2Very low33.4Very low139 Ų139154.8 Ų154.890%0.90381%0.813SS**  trans-86.590.4174.333.3-28.2000111.1
462G31.3Very low33.1Very low73 Ų73152.5 Ų152.575%0.75381%0.811SS**  trans-101.2101.416900000111.9E460 K464E460-G462 PolarHBondContact O-N 2.95Å; G462-K464 PolarHBondContact O-N 3.01Å
463Y29.3Very low32.8Very low238 Ų238150.3 Ų150.393%0.93381%0.808SS**  trans-72.2113.3167.1-125.6-96.1000108.8
464K31.8Very low32.9Very low203 Ų203150.4 Ų150.488%0.88381%0.808SS**  trans-135.6128.4159.6-86-170.9177176.20110.5G462G462-K464 PolarHBondContact O-N 3.01Å
465E30.3Very low33.4Very low177 Ų177150.8 Ų150.883%0.82781%0.809SS**  trans-56.2157.4167.3-70.7165.6139.200111.4
466D31.7Very low33.4Very low152 Ų152149.2 Ų149.281%0.81380%0.804SS**  trans73109.1173.6-60.7-26.8000116.9
467I30.6Very low33.9Very low158 Ų158150.6 Ų150.681%0.8180%0.802SS**  -175.1102.5122.4-85.8148.6000108.4Q469I467-Q469 PolarHBondContact O-N 3.13Å
468L30Very low34.1Very low168 Ų168149.9 Ų149.988%0.8880%0.795SS**  trans-58.4118.1144.1-95138.5000107.7
469Q35.3Very low34.3Very low163 Ų163150 Ų15076%0.76279%0.793SS**  trans150.9121.4139.3-85.1173.4-16.400112.3I467I467-Q469 PolarHBondContact O-N 3.13Å
470E34.2Very low34.7Very low178 Ų178153.1 Ų153.183%0.83279%0.791SS**  trans57.6109.8144.7-55.9-166.1175.900120.3
471L31.1Very low34.9Very low174 Ų174153.8 Ų153.891%0.91179%0.785SS**  trans-148.5142.9142-94.2156.4000109.7
472P37Very low35.2Very low101 Ų101155.6 Ų155.666%0.65678%0.781SS**  trans-83.8158.8-159.3-9.327.5000116.4S474P472-S474 VanDerWaalsContact C-N 3.27Å; P472-S474 PolarHBondContact O-N 2.68Å
473V38.4Very low35.2Very low109 Ų109158.1 Ų158.166%0.66178%0.782SS**THydrogen-bonded Turntrans-75.217.3-168.3-176.50000115.2
474S39Very low35.2Very low87 Ų87152.4 Ų152.461%0.60878%0.777SS**THydrogen-bonded Turntrans-96.1-7.6-16751.70000117.6P472P472-S474 VanDerWaalsContact C-N 3.27Å; P472-S474 PolarHBondContact O-N 2.68Å
475T42.6Very low35.2Very low124 Ų124146.1 Ų146.176%0.76177%0.77SS**SBendtrans-98.4-6.9-167.9-300000115.2
476M38Very low35Very low159 Ų159146.8 Ų146.878%0.78377%0.773SS**SBendtrans-95.5-8-176-121.1-165.7-69.100115
477Q40.9Very low34.9Very low152 Ų152146.5 Ų146.571%0.7178%0.776SS**SBendtrans-89.5-13-176-79.2-176.4-43.100114.8
478E39.4Very low34.7Very low148 Ų148145 Ų14569%0.69277%0.774SS**SBendtrans-85.1-31177.9-132.7111.2-141.300112.3L480E478-L480 PolarHBondContact O-N 3.38Å
479F32.5Very low34.8Very low182 Ų182142.6 Ų142.680%0.79877%0.769SS**G310 helixtrans-76.4-24.7-175.1-149.3-98.7000113.8R481F479-R481 VanDerWaalsContact C-N 3.34Å
480L40.1Very low34.6Very low143 Ų143140.3 Ų140.375%0.74977%0.771SS**G310 helixtrans-86-0.3179.4-77162.9000114.1E478E478-L480 PolarHBondContact O-N 3.38Å
481R38.5Very low34.4Very low202 Ų202137 Ų13776%0.76277%0.765SS**G310 helixtrans-89.6-8.7178.9-92.4179.4171.2175.1-2.3114.7F479F479-R481 VanDerWaalsContact C-N 3.34Å
482Q37.9Very low34.7Very low177 Ų177135.5 Ų135.583%0.82776%0.758SS**SBendtrans-107-1.2-170.6-69.4-172.3-5.700116.2
483T31.1Very low34.3Very low125 Ų125136.4 Ų136.477%0.76776%0.762SS**  trans-121.871.8-179.253.10000112.3
484S28.9Very low34Very low119 Ų119137 Ų13783%0.83277%0.77SS**  trans-130.198.116463.30000109.7
485G31.1Very low33.4Very low70 Ų70138 Ų13872%0.72278%0.777SS**  trans-140.4102.1-179.700000112
486Q26.9Very low32.9Very low191 Ų191140.5 Ų140.589%0.89379%0.785SS**  trans16.1122.6149.7-62.8176.6-11.300120.1
487V29.2Very low32.3Very low146 Ų146144 Ų14489%0.88579%0.79SS**  trans-133.2126.1150.4-178.10000109.7
488V26Very low31.7Very low126 Ų126142.9 Ų142.976%0.76479%0.793SS**PPolyproline II helixtrans-90.6143.1179.6178.50000109.5
489P32.1Very low31.3Very low119 Ų119144.7 Ų144.777%0.77380%0.801SS**PPolyproline II helixtrans-98.613616827.4-13.8000112.2
490S30.7Very low30.9Very low115 Ų115147.5 Ų147.580%0.80481%0.806SS**PPolyproline II helixtrans-80.2150.517339.80000112.9
491P31.5Very low30.5Very low108 Ų108150.1 Ų150.170%0.70182%0.815SS**PPolyproline II helixtrans-100.1154.7173.137.9-29.4000112.3
492D35.8Very low30.1Very low143 Ų143149.3 Ų149.377%0.76582%0.82SS**  trans158.8115.7142.8-86-11.6000110.9
493T30.5Very low29.6Very low120 Ų120145.8 Ų145.874%0.73682%0.815SS**  108.5120.481.352.70000111.4
494S32.1Very low29.6Very low120 Ų120146.9 Ų146.984%0.83982%0.821SS**  159.7135.9113.157.30000112.5
495S26.2Very low29.6Very low108 Ų108149.8 Ų149.876%0.75582%0.822SS**  trans-62.4148.9-177.147.90000115.7
496L31Very low29.7Very low178 Ų178154.1 Ų154.193%0.93283%0.828SS**  trans-152.1115143.5-98.2165.1000110.4
497R25.3Very low30Very low233 Ų233149.9 Ų149.988%0.87982%0.819SS**  trans-73.7144.5167.1-71172.2169.2173.2-3.8109.7
498V29.7Very low30.1Very low128 Ų128148.1 Ų148.178%0.77681%0.813SS**  trans-157.4109139.8-179.20000110.2
499E29.7Very low30.7Very low186 Ų186147 Ų14787%0.86981%0.809SS**  trans44.5135133.8-59.8175.2167.400124.3
500R24.7Very low30.6Very low240 Ų240146.5 Ų146.591%0.90681%0.808SS**  trans-87.8146.4166.7-82.1172.5165.3171.2-5.9109.1
501E31.7Very low30.7Very low198 Ų198145.3 Ų145.393%0.92580%0.799SS**  trans-129.6141.7153-85.3-175.2159.500110.8
502E29.4Very low30.6Very low185 Ų185148.2 Ų148.286%0.86480%0.804SS**  trans-87.7167-170.2-84.4172.9150.100114
503S28.3Very low30.4Very low103 Ų103148.1 Ų148.172%0.7280%0.803SS**  trans-50.7155.5174.945.90000117.6
504T30.8Very low30.3Very low148 Ų148150.5 Ų150.591%0.90881%0.806SS**  trans-157.4130133.9-2.10000111.5
505E29.5Very low30.3Very low180 Ų180152.1 Ų152.184%0.84181%0.805SS**  trans-78.8155.2173.6-62.7175.1147.400111.3
506L33.2Very low30.4Very low162 Ų162152 Ų15285%0.84881%0.805SS**  -171.8119.9129.2-126.278.3000113.8
507S31.8Very low30.4Very low101 Ų101151.2 Ų151.271%0.70680%0.801SS**  trans47.8121.4135.363.50000124.2
508S31.5Very low30.5Very low109 Ų109151 Ų15176%0.76280%0.802SS**  trans-72-169.8150.6580000112.2
509P39.2Very low30.5Very low104 Ų104154.2 Ų154.268%0.67581%0.806SS**  cis-148.1-173.19.238.8-15000118.1
510S31.1Very low30.4Very low108 Ų108152.9 Ų152.976%0.75580%0.803SS**  trans63151.1151.154.50000119
511S31.5Very low30.7Very low89 Ų89146.8 Ų146.862%0.62279%0.794SS**  cis-173.7160.34.8370000106.7
512E30Very low30.6Very low169 Ų169145.9 Ų145.979%0.7980%0.795SS**  trans53.4126.5145.2-67163.4-162.800117.7
513D30.8Very low30.8Very low141 Ų141148.3 Ų148.375%0.75480%0.796SS**  cis-175.2163.445.8-98-32.6000111.2
514E29.6Very low30.9Very low170 Ų170148.9 Ų148.979%0.79480%0.8SS**  trans-4.4141.2160.7-56-167.5151.300124
515N30.7Very low31.1Very low154 Ų154150.4 Ų150.482%0.82480%0.797SS**  trans44111.1142.7-88.2-21.5000120.2
516S28.6Very low31.7Very low107 Ų107148.9 Ų148.975%0.74879%0.793SS**  173.2135107.649.90000112.6Y518S516-Y518 PolarHBondContact O-N 2.59Å
517N30.5Very low31.8Very low160 Ų160147.6 Ų147.686%0.85679%0.792SS**  trans3.1100.1156-91-23.6000117.3
518Y27.7Very low32.3Very low228 Ų228147.1 Ų147.189%0.89479%0.785SS**  trans-144.5132.5150.5-96.1-79.8000113.3S516S516-Y518 PolarHBondContact O-N 2.59Å
519K29.7Very low32.7Very low197 Ų197146.9 Ų146.986%0.85778%0.775SS**PPolyproline II helixtrans-55.3131.7-172.1-71.2165.3170.8174.50113.3
520I28.9Very low33.1Very low158 Ų158148.5 Ų148.581%0.8178%0.776SS**PPolyproline II helixtrans-71.5124.6169.5-56.3173.1000108.7
521P30Very low33.8Very low112 Ų112151 Ų15173%0.72778%0.776SS**PPolyproline II helixtrans-78.9129170.617.1-5.9000110.1R523P521-R523 PolarHBondContact O-N 2.99Å; P521-R523 VanDerWaalsContact O-N 3.11Å
522L30.2Very low34.6Very low178 Ų178151.2 Ų151.293%0.93277%0.77SS**  trans-52.7112.1169.1-78.4113.3000110.2
523R32.6Very low35.7Very low237 Ų237147.9 Ų147.989%0.89476%0.757SS**  trans-107.9119.4158.4-112.5178.9177.3172.6-0.4107.4P521 E525P521-R523 PolarHBondContact O-N 2.99Å; P521-R523 VanDerWaalsContact O-N 3.11Å; R523-E525 PolarHBondContact O-N 2.72Å; R523-E525 VanDerWaalsContact O-N 3.11Å
524S31.7Very low36.4Very low115 Ų115148.1 Ų148.180%0.80476%0.757SS**  trans-48.9107.3178.551.30000111.8I526S524-I526 PolarHBondContact O-N 3.13Å
525E34.2Very low37.3Very low179 Ų179144.3 Ų144.384%0.83676%0.755SS**  trans-73.3114.1164.6-78.2-177.1160.900108.6R523 T527R523-E525 PolarHBondContact O-N 2.72Å; R523-E525 VanDerWaalsContact O-N 3.11Å; E525-T527 PolarHBondContact O-N 3Å; E525-T527 VanDerWaalsContact O-N 3.09Å
526I41.6Very low37.9Very low149 Ų149141.1 Ų141.176%0.76475%0.75SS**  trans-68.8101.8163-63170.6000105.7S524 V528S524-I526 PolarHBondContact O-N 3.13Å; I526-V528 HydrophobicContact CG2-CG2 4.1Å; I526-V528 PolarHBondContact O-N 3.36Å; I526-V528 VanDerWaalsContact O-N 3.11Å
527T36.9Very low38.4Very low134 Ų134141.6 Ų141.682%0.82274%0.744SS**  trans-64.2105.3166.735.50000108.7E525E525-T527 PolarHBondContact O-N 3Å; E525-T527 VanDerWaalsContact O-N 3.09Å
528V41Very low38.9Very low92 Ų92139.2 Ų139.256%0.55874%0.737SS**  trans-89.3121.5172.8-1670000108.1I526 N532I526-V528 HydrophobicContact CG2-CG2 4.1Å; I526-V528 PolarHBondContact O-N 3.36Å; I526-V528 VanDerWaalsContact O-N 3.11Å; V528-N532 HydrophobicContact CG1-CB 3.81Å
529D39.8Very low39.6Very low103 Ų103133.4 Ų133.455%0.55174%0.736SS**  trans-55.6144.6178.2-156.2-23.8000112E531 N532D529-E531 PolarHBondContact O-N 3.2Å; D529-E531 VanDerWaalsContact O-N 3.08Å; D529-N532 PolarHBondContact O-N 3.43Å
530I49Very low40.2Very low138 Ų138135.3 Ų135.371%0.70874%0.738SS**THydrogen-bonded Turntrans-61.2-24.3-172.8-152169.6000112I533I530-I533 HydrophobicContact CG1-CD1 4.34Å
531E44.6Very low41Very low160 Ų160137.3 Ų137.375%0.74874%0.741SS**THydrogen-bonded Turntrans-76-20.7176.8-57.1-162.6167.800113.3D529D529-E531 PolarHBondContact O-N 3.2Å; D529-E531 VanDerWaalsContact O-N 3.08Å
532N49.1Very low41.7Very low95 Ų95142.1 Ų142.151%0.50875%0.75SS.*THydrogen-bonded Turntrans-94.3-6.8-177-74-40.1000114.3V528 D529 L534 A535V528-N532 HydrophobicContact CG1-CB 3.81Å; D529-N532 PolarHBondContact O-N 3.43Å; N532-L534 PolarHBondContact O-N 2.86Å; N532-A535 PolarHBondContact O-N 3.29Å
533I52.4Low42.9Very low98 Ų98139.4 Ų139.450%0.50373%0.733SS.*G310 helixtrans-63.8-27.3177.8-65.5174.4000111.7I530 A535I530-I533 HydrophobicContact CG1-CD1 4.34Å; I533-A535 VanDerWaalsContact C-N 3.32Å; I533-A535 PolarHBondContact O-N 3.28Å
534L46.1Very low44.4Very low146 Ų146133.6 Ų133.676%0.76472%0.724SS**G310 helixtrans-71.7-23.2179.8-79.4160.5000113.6N532N532-L534 PolarHBondContact O-N 2.86Å
535A47.3Very low46.5Very low91 Ų91136.5 Ų136.575%0.75273%0.729SS**G310 helixtrans-85.1-17.9-175.600000114N532 I533N532-A535 PolarHBondContact O-N 3.29Å; I533-A535 VanDerWaalsContact C-N 3.32Å; I533-A535 PolarHBondContact O-N 3.28Å
536A44.7Very low48.9Very low87 Ų87129.5 Ų129.572%0.71970%0.697SS**SBendtrans-101.22.8-17600000114.4
537L39.2Very low51.1Low117 Ų117123.9 Ų123.961%0.61367%0.669SS**SBendtrans-80.6125178.3-71.8169.5000110A539L537-A539 PolarHBondContact O-N 3.22Å
538P40.7Very low53.5Low109 Ų109119.6 Ų119.671%0.70864%0.638SS**  trans-56135.6172.423.3-30.8000108.5R540P538-R540 VanDerWaalsContact C-N 3.35Å; P538-R540 PolarHBondContact O-N 3.2Å
539A41.1Very low55.6Low107 Ų107118.8 Ų118.888%0.88463%0.634SS**  trans-54.994.7-177.600000110.4L537 K541L537-A539 PolarHBondContact O-N 3.22Å; A539-K541 PolarHBondContact O-N 3.23Å
540R43.2Very low57.7Low237 Ų237117.5 Ų117.589%0.89462%0.622SS**  trans-58124.2171.1-85.8-177.2172.4-178.8-1.2106.7P538 K542P538-R540 VanDerWaalsContact C-N 3.35Å; P538-R540 PolarHBondContact O-N 3.2Å; R540-K542 PolarHBondContact O-N 2.9Å
541K45.3Very low59.5Low199 Ų199111 Ų11187%0.86559%0.588SS**  trans-39.7120.5165.4-90.3-179.6174.2175.10107.2A539 E543A539-K541 PolarHBondContact O-N 3.23Å; K541-E543 VanDerWaalsContact C-N 3.31Å; K541-E543 PolarHBondContact O-N 2.94Å
542K44.5Very low61.6Low213 Ų213103.6 Ų103.693%0.92655%0.553SS**  trans-52.397.1177.6-87.8178.8174.3173.80107.9R540 V544R540-K542 PolarHBondContact O-N 2.9Å; K542-V544 PolarHBondContact O-N 3Å
543E55.9Low63.4Low122 Ų122101.4 Ų101.457%0.5754%0.541SS*.  trans-59.8128.7169.3-81.9-165.3170.500106.7K541 L545 R586K541-E543 VanDerWaalsContact C-N 3.31Å; K541-E543 PolarHBondContact O-N 2.94Å; E543-L545 PolarHBondContact O-N 3.33Å; E543-R586 IonicContact OE1-NH1 2.87Å; E543-R586 IonicContact OE2-CZ 3.94Å; E543-R586 IonicContact OE2-NH1 3.7Å; E543-R586 PolarHBondContact OE2-NH1 2.75Å; E543-R586 IonicContact OE2-NH2 3.97Å
544V63.4Low65Low115 Ų115102.3 Ų102.370%0.69754%0.541SS*.  trans-57.6114.8176.4179.30000107.5K542 L546K542-V544 PolarHBondContact O-N 3Å; V544-L546 HydrophobicContact CG1-CD2 4.35Å; V544-L546 PolarHBondContact O-N 2.81Å
545L76.4Confident67.1Low175 Ų17597.1 Ų97.192%0.91651%0.512SS*.  trans-64101.4175.4-102.5130.3000108.8E543E543-L545 PolarHBondContact O-N 3.33Å
546L85.2Confident69.1Low32 Ų3297.7 Ų97.717%0.16851%0.508CS..  trans-76140.2178.5-63.6178.8000110.8V544 K548 Y555 R586 M587 F620V544-L546 HydrophobicContact CG1-CD2 4.35Å; V544-L546 PolarHBondContact O-N 2.81Å; L546-K548 PolarHBondContact O-N 3.08Å; L546-Y555 WeakPolarHBondContact CA-OH 3.22Å; L546-Y555 HydrophobicContact CD2-CE1 4.37Å; L546-R586 HydrophobicContact CD1-CB 3.71Å; L546-M587 HydrophobicContact CD1-CG 4.02Å; L546-M587 HydrophobicContact CD2-CG 3.76Å; L546-F620 HydrophobicContact CB-CE2 3.7Å; L546-F620 HydrophobicContact CB-CZ 4.42Å
547D86.5Confident71.2Confident31 Ų3197.4 Ų97.417%0.16649%0.488CS..  trans-86.7109.1178.7-173.2-20.7000110.7T549 R550 G551 K554 Y555D547-T549 WeakPolarHBondContact OD1-CA 3.41Å; D547-T549 PolarHBondContact OD1-N 3.03Å; D547-T549 PolarHBondContact OD1-OG1 2.83Å; D547-R550 PolarHBondContact OD1-N 3.13Å; D547-R550 WeakPolarHBondContact OD2-CB 3.49Å; D547-G551 WeakPolarHBondContact O-CA 3.44Å; D547-G551 PolarHBondContact O-N 3.23Å; D547-G551 VanDerWaalsContact O-N 3.1Å; D547-K554 HydrophobicContact CB-CD 3.84Å; D547-K554 VanDerWaalsContact OD2-CE 3.3Å; D547-K554 WeakPolarHBondContact OD2-CE 3.46Å; D547-K554 IonicContact OD2-NZ 2.78Å; D547-K554 PolarHBondContact OD2-NZ 2.89Å; D547-Y555 PolarHBondContact N-OH 2.8Å
548K88.9Confident73.3Confident44 Ų4495 Ų9519%0.19147%0.474CS..SBendtrans-72.8-36.5176.1-173.650.8173.6157.90113L546 A589 C592 F620L546-K548 PolarHBondContact O-N 3.08Å; K548-A589 PolarHBondContact NZ-O 3.33Å; K548-A589 VanDerWaalsContact NZ-O 3.1Å; K548-C592 PolarHBondContact NZ-O 2.84Å; K548-F620 HydrophobicContact CB-CD1 4.44Å; K548-F620 HydrophobicContact CB-CE1 3.72Å; K548-F620 HydrophobicContact CB-CE2 4.21Å; K548-F620 HydrophobicContact CB-CZ 3.59Å; K548-F620 HydrophobicContact CD-CD1 3.92Å; K548-F620 HydrophobicContact CD-CD2 4.29Å; K548-F620 HydrophobicContact CD-CE1 4.07Å; K548-F620 HydrophobicContact CD-CE2 4.38Å; K548-F620 HydrophobicContact CD-CG 4.06Å; K548-F620 HydrophobicContact CD-CZ 4.31Å; K548-F620 HydrophobicContact CG-CD1 4.26Å; K548-F620 HydrophobicContact CG-CE1 3.99Å; K548-F620 HydrophobicContact CG-CZ 4.29Å
549T83.6Confident74.7Confident76 Ų7697.8 Ų97.847%0.46648%0.475SS..SBendtrans-75.1-37.1-171.158.80000112.5D547 F552D547-T549 WeakPolarHBondContact OD1-CA 3.41Å; D547-T549 PolarHBondContact OD1-N 3.03Å; D547-T549 PolarHBondContact OD1-OG1 2.83Å; T549-F552 WeakPolarHBondContact O-CE1 3.35Å
550R84.6Confident76Confident76 Ų7695 Ų9529%0.28745%0.447SS..SBendtrans-113.117178.6-56.2178.866.1119.16.3112.2T65 D74 D547 F552 I553 K554T65-R550 HydrophobicContact CG2-CG 4.14Å; D74-R550 IonicContact OD2-CZ 2.79Å; D74-R550 VanDerWaalsContact OD2-CZ 3.27Å; D74-R550 IonicContact OD2-NH1 3.83Å; D74-R550 PolarHBondContact OD2-NH1 3.09Å; D74-R550 IonicContact OD2-NH2 2.75Å; D74-R550 PolarHBondContact OD2-NH2 2.49Å; D547-R550 PolarHBondContact OD1-N 3.13Å; D547-R550 WeakPolarHBondContact OD2-CB 3.49Å; R550-F552 VanDerWaalsContact C-N 3.25Å; R550-F552 PolarHBondContact O-N 2.96Å; R550-I553 HydrophobicContact CB-CB 4.49Å; R550-I553 HydrophobicContact CB-CD1 4.24Å; R550-I553 HydrophobicContact CG-CD1 4.41Å; R550-I553 WeakPolarHBondContact O-CA 3.49Å; R550-I553 WeakPolarHBondContact O-CB 3.34Å; R550-I553 PolarHBondContact O-N 3.48Å; R550-K554 HydrophobicContact CB-CD 4.37Å; R550-K554 HydrophobicContact CB-CG 4.38Å; R550-K554 PolarHBondContact O-N 2.96Å
551G88Confident77.5Confident0 Ų084.8 Ų84.80%041%0.41CS..Hα-helixtrans-57.4-36.8-175.200000113.4D547 I553 K554 Y555D547-G551 WeakPolarHBondContact O-CA 3.44Å; D547-G551 PolarHBondContact O-N 3.23Å; D547-G551 VanDerWaalsContact O-N 3.1Å; G551-I553 PolarHBondContact O-N 3.4Å; G551-K554 PolarHBondContact O-N 3.43Å; G551-Y555 VanDerWaalsContact O-CB 3.3Å; G551-Y555 WeakPolarHBondContact O-CB 3.46Å; G551-Y555 VanDerWaalsContact O-CD2 3.24Å; G551-Y555 WeakPolarHBondContact O-CD2 3.34Å; G551-Y555 PolarHBondContact O-N 2.89Å
552F87.7Confident79.3Confident5 Ų577.6 Ų77.62%0.02238%0.378CS..Hα-helixtrans-70.6-18.3176.666.5-86.5000114.4T65 P67 L77 T549 R550 R591 M593 L655T65-F552 WeakPolarHBondContact O-CZ 3.33Å; P67-F552 HydrophobicContact CB-CE2 4.35Å; L77-F552 HydrophobicContact CD2-CE2 4.14Å; T549-F552 WeakPolarHBondContact O-CE1 3.35Å; R550-F552 VanDerWaalsContact C-N 3.25Å; R550-F552 PolarHBondContact O-N 2.96Å; F552-R591 HydrophobicContact CB-CB 4.31Å; F552-M593 HydrophobicContact CD1-CG 3.61Å; F552-M593 HydrophobicContact CD1-SD 4.07Å; F552-M593 HydrophobicContact CD2-SD 4.36Å; F552-M593 HydrophobicContact CE1-CG 3.9Å; F552-M593 HydrophobicContact CE1-SD 4.03Å; F552-M593 HydrophobicContact CE2-SD 4.31Å; F552-M593 HydrophobicContact CG-CG 4.12Å; F552-M593 HydrophobicContact CG-SD 4.24Å; F552-M593 HydrophobicContact CZ-SD 4.15Å; F552-L655 HydrophobicContact CB-CD1 3.74Å; F552-L655 HydrophobicContact CB-CD2 3.64Å; F552-L655 HydrophobicContact CB-CG 4.37Å; F552-L655 HydrophobicContact CD2-CD1 3.61Å; F552-L655 HydrophobicContact CE2-CD1 4.46Å; F552-L655 HydrophobicContact CG-CD1 3.86Å
553I86.4Confident81.6Confident49 Ų4969.6 Ų69.625%0.25134%0.342SS..Hα-helixtrans-90-44.6175-52.5174000109.6L77 R550 G551L77-I553 HydrophobicContact CD1-CD1 3.92Å; L77-I553 HydrophobicContact CD2-CD1 3.81Å; L77-I553 HydrophobicContact CD2-CG1 4.2Å; L77-I553 HydrophobicContact CG-CD1 4.09Å; R550-I553 HydrophobicContact CB-CB 4.49Å; R550-I553 HydrophobicContact CB-CD1 4.24Å; R550-I553 HydrophobicContact CG-CD1 4.41Å; R550-I553 WeakPolarHBondContact O-CA 3.49Å; R550-I553 WeakPolarHBondContact O-CB 3.34Å; R550-I553 PolarHBondContact O-N 3.48Å; G551-I553 PolarHBondContact O-N 3.4Å
554K86.8Confident83.2Confident117 Ų11767 Ų6751%0.50934%0.335SS..Hα-helixtrans-79.6-32.5-173.7-72.2-178170.9175.90113.6D547 R550 G551D547-K554 HydrophobicContact CB-CD 3.84Å; D547-K554 VanDerWaalsContact OD2-CE 3.3Å; D547-K554 WeakPolarHBondContact OD2-CE 3.46Å; D547-K554 IonicContact OD2-NZ 2.78Å; D547-K554 PolarHBondContact OD2-NZ 2.89Å; R550-K554 HydrophobicContact CB-CD 4.37Å; R550-K554 HydrophobicContact CB-CG 4.38Å; R550-K554 PolarHBondContact O-N 2.96Å; G551-K554 PolarHBondContact O-N 3.43Å
555Y89.4Confident84.5Confident38 Ų3862.7 Ų62.715%0.14931%0.312CS..SBendtrans-110.9115.3-173.9-48.8-50.5000109.9L546 D547 G551 M587 A590 R591L546-Y555 WeakPolarHBondContact CA-OH 3.22Å; L546-Y555 HydrophobicContact CD2-CE1 4.37Å; D547-Y555 PolarHBondContact N-OH 2.8Å; G551-Y555 VanDerWaalsContact O-CB 3.3Å; G551-Y555 WeakPolarHBondContact O-CB 3.46Å; G551-Y555 VanDerWaalsContact O-CD2 3.24Å; G551-Y555 WeakPolarHBondContact O-CD2 3.34Å; G551-Y555 PolarHBondContact O-N 2.89Å; Y555-M587 HydrophobicContact CD1-SD 4.43Å; Y555-M587 HydrophobicContact CD2-CB 4.44Å; Y555-M587 HydrophobicContact CG-CB 4.27Å; Y555-A590 HydrophobicContact CD2-CB 3.96Å; Y555-A590 HydrophobicContact CE2-CB 3.86Å; Y555-R591 VanDerWaalsContact O-CD 3.26Å; Y555-R591 WeakPolarHBondContact O-CD 3.47Å; Y555-R591 PolarHBondContact O-NE 3.5Å
556P88.8Confident85.2Confident103 Ų10361.9 Ų61.967%0.66930%0.301SS*.PPolyproline II helixtrans-65.6153.7174.627-33.2000110.6Q558 Q588P556-Q558 PolarHBondContact O-N 2.88Å; P556-Q588 PolarHBondContact O-NE2 2.97Å
557R90.1Very high85.5Confident80 Ų8065.7 Ų65.730%0.30232%0.318SS..PPolyproline II helixtrans-66.4122.7171.5-169.2176.8-177.2-134.12.1108.8R591 E650 P660 A661 T663R557-R591 VanDerWaalsContact CG-NH1 3.35Å; R557-E650 IonicContact CZ-OE2 3.51Å; R557-E650 IonicContact NH2-OE2 2.74Å; R557-E650 PolarHBondContact NH2-OE2 3.42Å; R557-P660 HydrophobicContact CB-CB 3.74Å; R557-P660 HydrophobicContact CB-CG 4.49Å; R557-P660 HydrophobicContact CG-CB 4.21Å; R557-A661 WeakPolarHBondContact CD-O 3.5Å; R557-A661 PolarHBondContact NE-O 2.84Å; R557-A661 VanDerWaalsContact NE-O 3.11Å; R557-T663 HydrophobicContact CG-CG2 4.02Å
558Q82Confident85.7Confident68 Ų6864.2 Ų64.232%0.31831%0.31SS..PPolyproline II helixtrans-82.3119.3162.9-70-179.5-11.400107.3P556 S584 T663P556-Q558 PolarHBondContact O-N 2.88Å; Q558-S584 PolarHBondContact OE1-OG 3.28Å; Q558-T663 VanDerWaalsContact O-CG2 3.28Å; Q558-T663 WeakPolarHBondContact O-CG2 3.28Å
559K72.1Confident85.9Confident167 Ų16763.1 Ų63.173%0.72631%0.306SS*.PPolyproline II helixtrans-59.8168177.3-69.5-179.7-179.5176.40109.6I561K559-I561 VanDerWaalsContact O-CG1 3.28Å; K559-I561 WeakPolarHBondContact O-CG1 3.44Å; K559-I561 PolarHBondContact O-N 2.83Å
560V66.8Low86.3Confident48 Ų4867.8 Ų67.829%0.29132%0.322SS..PPolyproline II helixtrans-52118170.6176.70000108Y562 Y576V560-Y562 HydrophobicContact CG1-CD1 3.72Å; V560-Y562 HydrophobicContact CG1-CD2 4.33Å; V560-Y562 HydrophobicContact CG1-CE1 3.37Å; V560-Y562 HydrophobicContact CG1-CE2 4.02Å; V560-Y562 HydrophobicContact CG1-CG 4.19Å; V560-Y562 PolarHBondContact O-N 3.33Å; V560-Y576 HydrophobicContact CG1-CD1 3.63Å; V560-Y576 HydrophobicContact CG1-CE1 3.32Å
561I74.2Confident86.7Confident23 Ų2366 Ų6612%0.11832%0.318CS..  trans-88.894.3-178.3-47.9-177.9000105.8K559 D577 E580 I581K559-I561 VanDerWaalsContact O-CG1 3.28Å; K559-I561 WeakPolarHBondContact O-CG1 3.44Å; K559-I561 PolarHBondContact O-N 2.83Å; I561-D577 HydrophobicContact CG2-CB 3.85Å; I561-D577 PolarHBondContact O-N 3.38Å; I561-E580 HydrophobicContact CD1-CB 3.91Å; I561-E580 HydrophobicContact CD1-CG 3.57Å; I561-E580 HydrophobicContact CG2-CB 4.08Å; I561-E580 HydrophobicContact CG2-CG 4.28Å; I561-E580 VanDerWaalsContact CG2-OE2 3.23Å; I561-E580 WeakPolarHBondContact CG2-OE2 3.44Å; I561-I581 HydrophobicContact CB-CD1 4.48Å; I561-I581 HydrophobicContact CB-CG1 3.99Å; I561-I581 HydrophobicContact CD1-CG1 4.2Å; I561-I581 HydrophobicContact CG1-CG1 4.16Å
562Y84.8Confident87Confident48 Ų4869.1 Ų69.119%0.18833%0.33CS..BIsolated β-bridgetrans-82.8153165-61.4-50.7000109.9V560 L575 Y576V560-Y562 HydrophobicContact CG1-CD1 3.72Å; V560-Y562 HydrophobicContact CG1-CD2 4.33Å; V560-Y562 HydrophobicContact CG1-CE1 3.37Å; V560-Y562 HydrophobicContact CG1-CE2 4.02Å; V560-Y562 HydrophobicContact CG1-CG 4.19Å; V560-Y562 PolarHBondContact O-N 3.33Å; Y562-L575 CarbonylContact C-O 3.55Å; Y562-L575 WeakPolarHBondContact CA-O 3.48Å; Y562-L575 HydrophobicContact CD1-CB 3.76Å; Y562-L575 HydrophobicContact CE1-CB 4.09Å; Y562-Y576 HydrophobicContact CD1-CD1 4.1Å; Y562-Y576 HydrophobicContact CD1-CE1 4.28Å; Y562-Y576 HydrophobicContact CD1-CG 4.4Å; Y562-Y576 AromaticContact CE1-CD1 3.96Å; Y562-Y576 HydrophobicContact CE1-CD1 3.96Å; Y562-Y576 AromaticContact CE1-CE1 3.66Å; Y562-Y576 HydrophobicContact CE1-CE1 3.66Å; Y562-Y576 HydrophobicContact CE1-CE2 4.35Å; Y562-Y576 HydrophobicContact CE1-CG 4.44Å; Y562-Y576 AromaticContact CE1-CZ 3.85Å
563R91.3Very high87.3Confident45 Ų4573.7 Ų73.717%0.1736%0.355CS..PPolyproline II helixtrans-55148.6164-64.5-170.4-66.6141.46.7109.7A565 R568 D571 N573 E574 L575 D577R563-A565 PolarHBondContact O-N 2.92Å; R563-R568 HydrophobicContact CB-CB 4.23Å; R563-R568 WeakPolarHBondContact O-CD 3.26Å; R563-D571 IonicContact CZ-OD1 3.81Å; R563-D571 IonicContact CZ-OD2 2.75Å; R563-D571 IonicContact NH1-OD1 3.93Å; R563-D571 PolarHBondContact NH1-OD1 3.06Å; R563-D571 IonicContact NH1-OD2 3.56Å; R563-D571 PolarHBondContact NH1-OD2 3.22Å; R563-D571 IonicContact NH2-OD1 2.66Å; R563-D571 PolarHBondContact NH2-OD1 2.9Å; R563-D571 IonicContact NH2-OD2 3.31Å; R563-N573 PolarHBondContact NH2-O 2.71Å; R563-N573 VanDerWaalsContact NH2-O 3.07Å; R563-E574 PolarHBondContact NE-O 3.18Å; R563-E574 PolarHBondContact NH2-O 3.3Å; R563-E574 VanDerWaalsContact NH2-O 3.16Å; R563-L575 PolarHBondContact N-O 3.48Å; R563-D577 HydrophobicContact CG-CB 4.43Å
564P90.4Very high87.5Confident68 Ų6872.3 Ų72.344%0.44235%0.347SS..PPolyproline II helixtrans-49.7135.7179.9-29.136.2000112.3K566 E567 R568P564-K566 PolarHBondContact O-N 3.35Å; P564-K566 VanDerWaalsContact O-N 3.17Å; P564-E567 HydrophobicContact CB-CB 4.44Å; P564-E567 HydrophobicContact CB-CG 4.19Å; P564-E567 PolarHBondContact O-N 3.46Å; P564-R568 PolarHBondContact O-N 3.48Å
565A91.4Very high87.8Confident24 Ų2466.8 Ų66.820%0.19832%0.323CS..Hα-helixtrans-55.4-38.9-172.500000113.1R563 R568 I569 A894R563-A565 PolarHBondContact O-N 2.92Å; A565-R568 WeakPolarHBondContact O-CG 3.27Å; A565-I569 WeakPolarHBondContact O-CD1 3.49Å; A565-I569 WeakPolarHBondContact O-CG1 3.11Å; A565-I569 PolarHBondContact O-N 3.2Å; A565-A894 HydrophobicContact CB-CB 3.75Å
566K90Very high87.6Confident157 Ų15765.6 Ų65.668%0.68332%0.319SS*.Hα-helixtrans-65.5-40.7178.7-66.3-174.8176.4-175.70112.6P564P564-K566 PolarHBondContact O-N 3.35Å; P564-K566 VanDerWaalsContact O-N 3.17Å
567E91Very high87.4Confident112 Ų11263 Ų6352%0.52330%0.299SS..Hα-helixtrans-72.1-45.2179.9-64.4172.6-160.500111.4P564 I569 E570P564-E567 HydrophobicContact CB-CB 4.44Å; P564-E567 HydrophobicContact CB-CG 4.19Å; P564-E567 PolarHBondContact O-N 3.46Å; E567-I569 PolarHBondContact O-N 3.18Å; E567-E570 PolarHBondContact O-N 2.7Å
568R92.3Very high87.1Confident1 Ų161.1 Ų61.10%0.00429%0.293CS..Hα-helixtrans-71.6-14.9-174.670.9-179.5-177.4-159.7-8.2114.5R563 P564 A565 E570 R851 Y887 E890 E891R563-R568 HydrophobicContact CB-CB 4.23Å; R563-R568 WeakPolarHBondContact O-CD 3.26Å; P564-R568 PolarHBondContact O-N 3.48Å; A565-R568 WeakPolarHBondContact O-CG 3.27Å; R568-E570 VanDerWaalsContact C-N 3.33Å; R568-R851 PolarHBondContact O-NE 3.34Å; R568-R851 PolarHBondContact O-NH2 3.36Å; R568-Y887 PolarHBondContact NH2-O 2.99Å; R568-E890 IonicContact CZ-OE2 3.59Å; R568-E890 IonicContact NH1-OE2 3.57Å; R568-E890 PolarHBondContact NH1-OE2 2.92Å; R568-E890 VanDerWaalsContact NH2-CB 3.27Å; R568-E890 IonicContact NH2-OE2 2.75Å; R568-E890 PolarHBondContact NH2-OE2 3.17Å; R568-E891 VanDerWaalsContact CD-OE1 3.3Å; R568-E891 WeakPolarHBondContact CD-OE1 3.35Å; R568-E891 HydrophobicContact CG-CG 4.44Å; R568-E891 WeakPolarHBondContact CG-OE1 3.39Å; R568-E891 IonicContact CZ-OE1 3.26Å; R568-E891 IonicContact NE-OE1 2.79Å; R568-E891 PolarHBondContact NE-OE1 3.3Å
569I92.3Very high87Confident21 Ų2166.6 Ų66.611%0.10832%0.316CS..THydrogen-bonded Turntrans-76.4-25.1176.3-73.8167.4000111.2A565 E567 D571 R851 E891 L895A565-I569 WeakPolarHBondContact O-CD1 3.49Å; A565-I569 WeakPolarHBondContact O-CG1 3.11Å; A565-I569 PolarHBondContact O-N 3.2Å; E567-I569 PolarHBondContact O-N 3.18Å; I569-D571 VanDerWaalsContact C-N 3.28Å; I569-D571 PolarHBondContact O-N 3.31Å; I569-R851 WeakPolarHBondContact O-CG 3.27Å; I569-E891 HydrophobicContact CD1-CB 3.59Å; I569-E891 HydrophobicContact CD1-CG 3.79Å; I569-E891 HydrophobicContact CG1-CB 3.86Å; I569-E891 HydrophobicContact CG1-CG 3.62Å; I569-L895 HydrophobicContact CD1-CD1 3.71Å; I569-L895 HydrophobicContact CD1-CD2 4.18Å; I569-L895 HydrophobicContact CD1-CG 3.63Å; I569-L895 HydrophobicContact CG2-CD1 4Å; I569-L895 HydrophobicContact CG2-CD2 4.35Å
570E91.7Very high87.4Confident174 Ų17463.8 Ų63.881%0.81331%0.306SS*.SBendtrans-80-11.8-177.1-61.5179.9171.100112.8E567 R568E567-E570 PolarHBondContact O-N 2.7Å; R568-E570 VanDerWaalsContact C-N 3.33Å
571D93.7Very high88.1Confident38 Ų3861.9 Ų61.920%0.20329%0.293CS..  trans-137177.7-178.477.139.6000114R563 I569 N573 R851R563-D571 IonicContact CZ-OD1 3.81Å; R563-D571 IonicContact CZ-OD2 2.75Å; R563-D571 IonicContact NH1-OD1 3.93Å; R563-D571 PolarHBondContact NH1-OD1 3.06Å; R563-D571 IonicContact NH1-OD2 3.56Å; R563-D571 PolarHBondContact NH1-OD2 3.22Å; R563-D571 IonicContact NH2-OD1 2.66Å; R563-D571 PolarHBondContact NH2-OD1 2.9Å; R563-D571 IonicContact NH2-OD2 3.31Å; I569-D571 VanDerWaalsContact C-N 3.28Å; I569-D571 PolarHBondContact O-N 3.31Å; D571-N573 VanDerWaalsContact CG-ND2 3.3Å; D571-N573 WeakPolarHBondContact OD1-CB 3.36Å; D571-N573 PolarHBondContact OD1-N 3.25Å; D571-N573 PolarHBondContact OD2-ND2 2.84Å; D571-R851 WeakPolarHBondContact O-CD 3.39Å; D571-R851 PolarHBondContact O-NE 2.99Å
572W94Very high88.3Confident66 Ų6665 Ų6525%0.2530%0.304CS..  trans-112.714.8177.7-63.593.1000113M737 W812 Q816 T848 R851 Q852W572-M737 HydrophobicContact CE3-SD 3.58Å; W572-M737 VanDerWaalsContact CE3-SD 3.58Å; W572-M737 HydrophobicContact CZ3-CE 4.23Å; W572-M737 HydrophobicContact CZ3-SD 3.59Å; W572-M737 VanDerWaalsContact CZ3-SD 3.59Å; W572-W812 AromaticContact CE2-NE1 3.79Å; W572-W812 AromaticContact CH2-CD1 3.73Å; W572-W812 AromaticContact CH2-CE2 3.82Å; W572-W812 HydrophobicContact CH2-CZ2 4.26Å; W572-W812 AromaticContact CH2-NE1 2.95Å; W572-W812 AromaticContact CZ2-CE2 3.59Å; W572-W812 AromaticContact CZ2-CZ2 3.56Å; W572-W812 HydrophobicContact CZ2-CZ2 3.56Å; W572-W812 AromaticContact CZ2-NE1 3.12Å; W572-W812 AromaticContact CZ3-CD1 3.99Å; W572-W812 AromaticContact CZ3-NE1 3.48Å; W572-Q816 VanDerWaalsContact CG-NE2 3.31Å; W572-T848 HydrophobicContact CH2-CG2 3.95Å; W572-T848 HydrophobicContact CZ3-CG2 4.38Å; W572-R851 HydrophobicContact CH2-CB 3.56Å; W572-R851 HydrophobicContact CH2-CG 4.34Å; W572-R851 HydrophobicContact CZ2-CB 3.4Å; W572-R851 HydrophobicContact CZ2-CG 4.36Å; W572-R851 HydrophobicContact CZ3-CB 4.29Å; W572-Q852 HydrophobicContact CZ2-CG 4.42Å
573N93.3Very high88.1Confident100 Ų10066.1 Ų66.154%0.53533%0.33SS..SBendtrans-71.8163.8177.2-63-47.9000110.6R563 D571 L575 M737R563-N573 PolarHBondContact NH2-O 2.71Å; R563-N573 VanDerWaalsContact NH2-O 3.07Å; D571-N573 VanDerWaalsContact CG-ND2 3.3Å; D571-N573 WeakPolarHBondContact OD1-CB 3.36Å; D571-N573 PolarHBondContact OD1-N 3.25Å; D571-N573 PolarHBondContact OD2-ND2 2.84Å; N573-L575 PolarHBondContact O-N 3.43Å; N573-M737 WeakPolarHBondContact O-CA 3.18Å; N573-M737 WeakPolarHBondContact O-CB 3.39Å
574E92.1Very high87.7Confident21 Ų2164.3 Ų64.310%0.09832%0.324CS..  trans-56.7140.3-177.2-64.3-172.681.700112.3R563 Y576 F578 R643 M737 A740 R742 I743R563-E574 PolarHBondContact NE-O 3.18Å; R563-E574 PolarHBondContact NH2-O 3.3Å; R563-E574 VanDerWaalsContact NH2-O 3.16Å; E574-Y576 VanDerWaalsContact C-N 3.28Å; E574-Y576 PolarHBondContact O-N 3.46Å; E574-F578 HydrophobicContact CB-CE2 4.21Å; E574-R643 WeakPolarHBondContact OE1-CD 3.45Å; E574-R643 IonicContact OE1-CZ 3.62Å; E574-R643 IonicContact OE1-NE 3.44Å; E574-R643 PolarHBondContact OE1-NE 3.15Å; E574-R643 IonicContact OE1-NH2 3.92Å; E574-R643 PolarHBondContact OE1-NH2 3.01Å; E574-R643 IonicContact OE2-NH2 2.81Å; E574-M737 CarbonylContact C-O 3.58Å; E574-M737 VanDerWaalsContact CA-O 3.29Å; E574-M737 WeakPolarHBondContact CA-O 3.42Å; E574-A740 HydrophobicContact CG-CB 3.66Å; E574-R742 IonicContact OE2-CZ 3.31Å; E574-R742 IonicContact OE2-NH2 3.02Å; E574-R742 PolarHBondContact OE2-NH2 3.44Å; E574-I743 WeakPolarHBondContact OE1-CD1 3.23Å
575L91.8Very high87.7Confident1 Ų161.2 Ų61.21%0.00530%0.304CS..SBendtrans-65.1-30-176.4-65.8163.8000113Y562 R563 N573 M737 K738 Y887Y562-L575 CarbonylContact C-O 3.55Å; Y562-L575 WeakPolarHBondContact CA-O 3.48Å; Y562-L575 HydrophobicContact CD1-CB 3.76Å; Y562-L575 HydrophobicContact CE1-CB 4.09Å; R563-L575 PolarHBondContact N-O 3.48Å; N573-L575 PolarHBondContact O-N 3.43Å; L575-M737 HydrophobicContact CD1-CG 4.47Å; L575-M737 HydrophobicContact CD2-CB 4.19Å; L575-M737 HydrophobicContact CD2-CG 4.12Å; L575-M737 HydrophobicContact CG-CB 4.15Å; L575-M737 HydrophobicContact CG-CG 4.22Å; L575-M737 VanDerWaalsContact CG-O 3.32Å; L575-M737 WeakPolarHBondContact CG-O 3.48Å; L575-M737 PolarHBondContact N-O 3.13Å; L575-K738 HydrophobicContact CD1-CB 4.4Å; L575-Y887 HydrophobicContact CD1-CD1 3.73Å; L575-Y887 HydrophobicContact CD1-CD2 3.69Å; L575-Y887 HydrophobicContact CD1-CE1 4.19Å; L575-Y887 HydrophobicContact CD1-CE2 4.16Å; L575-Y887 HydrophobicContact CD1-CG 3.45Å; L575-Y887 VanDerWaalsContact CD1-CG 3.45Å; L575-Y887 HydrophobicContact CD2-CD2 3.76Å; L575-Y887 HydrophobicContact CD2-CE2 4.45Å; L575-Y887 HydrophobicContact CD2-CG 4.16Å; L575-Y887 HydrophobicContact CG-CD2 4.39Å; L575-Y887 HydrophobicContact CG-CG 4.45Å
576Y86.2Confident87.7Confident12 Ų1263.1 Ų63.15%0.04731%0.306CS..BIsolated β-bridgetrans-82.7137.2-169.7-61.8-91.7000112.5V560 Y562 E574 F578 I581 R643 K665V560-Y576 HydrophobicContact CG1-CD1 3.63Å; V560-Y576 HydrophobicContact CG1-CE1 3.32Å; Y562-Y576 HydrophobicContact CD1-CD1 4.1Å; Y562-Y576 HydrophobicContact CD1-CE1 4.28Å; Y562-Y576 HydrophobicContact CD1-CG 4.4Å; Y562-Y576 AromaticContact CE1-CD1 3.96Å; Y562-Y576 HydrophobicContact CE1-CD1 3.96Å; Y562-Y576 AromaticContact CE1-CE1 3.66Å; Y562-Y576 HydrophobicContact CE1-CE1 3.66Å; Y562-Y576 HydrophobicContact CE1-CE2 4.35Å; Y562-Y576 HydrophobicContact CE1-CG 4.44Å; Y562-Y576 AromaticContact CE1-CZ 3.85Å; E574-Y576 VanDerWaalsContact C-N 3.28Å; E574-Y576 PolarHBondContact O-N 3.46Å; Y576-F578 HydrophobicContact CD2-CZ 4.38Å; Y576-F578 HydrophobicContact CG-CZ 4.42Å; Y576-F578 PolarHBondContact O-N 2.8Å; Y576-F578 VanDerWaalsContact O-N 3.16Å; Y576-I581 HydrophobicContact CD1-CD1 4.18Å; Y576-R643 PolarHBondContact OH-O 2.9Å; Y576-K665 WeakPolarHBondContact OH-CE 3.47Å; Y576-K665 PolarHBondContact OH-NZ 2.97Å
577D84.7Confident87.8Confident48 Ų4858.8 Ų58.826%0.25729%0.289SS..  trans-82.885165.1-167.8-32.2000109.7I561 R563 K579 E580 I581I561-D577 HydrophobicContact CG2-CB 3.85Å; I561-D577 PolarHBondContact O-N 3.38Å; R563-D577 HydrophobicContact CG-CB 4.43Å; D577-K579 PolarHBondContact O-N 2.9Å; D577-K579 WeakPolarHBondContact OD1-CA 3.18Å; D577-K579 WeakPolarHBondContact OD1-CB 3.49Å; D577-K579 PolarHBondContact OD1-N 2.76Å; D577-E580 HydrophobicContact CB-CB 4.27Å; D577-E580 PolarHBondContact O-N 3.22Å; D577-E580 PolarHBondContact OD1-N 3.27Å; D577-I581 WeakPolarHBondContact O-CD1 3.3Å; D577-I581 VanDerWaalsContact O-CG1 3.22Å; D577-I581 WeakPolarHBondContact O-CG1 3.31Å; D577-I581 PolarHBondContact O-N 2.93Å; D577-I581 VanDerWaalsContact O-N 3.08Å
578F82.9Confident87.9Confident42 Ų4253.7 Ų53.718%0.18427%0.265CS..Hα-helixtrans-61.8-24.5178.8-70.6-70000113.3E574 Y576 R582E574-F578 HydrophobicContact CB-CE2 4.21Å; Y576-F578 HydrophobicContact CD2-CZ 4.38Å; Y576-F578 HydrophobicContact CG-CZ 4.42Å; Y576-F578 PolarHBondContact O-N 2.8Å; Y576-F578 VanDerWaalsContact O-N 3.16Å; F578-R582 WeakPolarHBondContact O-CB 3.48Å; F578-R582 VanDerWaalsContact O-CG 3.22Å; F578-R582 WeakPolarHBondContact O-CG 3.43Å; F578-R582 PolarHBondContact O-N 2.86Å; F578-R582 VanDerWaalsContact O-N 3.14Å
579K80.5Confident87.9Confident183 Ų18353.6 Ų53.680%0.79627%0.265SS*.Hα-helixtrans-71.6-47.9-179.7-176.3-177.3176.4-174.30109.9D577 R582 G583D577-K579 PolarHBondContact O-N 2.9Å; D577-K579 WeakPolarHBondContact OD1-CA 3.18Å; D577-K579 WeakPolarHBondContact OD1-CB 3.49Å; D577-K579 PolarHBondContact OD1-N 2.76Å; K579-R582 PolarHBondContact O-N 3.32Å; K579-G583 PolarHBondContact O-N 3.25Å
580E80.6Confident88Confident108 Ų10852.6 Ų52.651%0.50526%0.26SS..Hα-helixtrans-66.9-42.7177.7-161.2179.6158.400111.4I561 D577 R582 G583I561-E580 HydrophobicContact CD1-CB 3.91Å; I561-E580 HydrophobicContact CD1-CG 3.57Å; I561-E580 HydrophobicContact CG2-CB 4.08Å; I561-E580 HydrophobicContact CG2-CG 4.28Å; I561-E580 VanDerWaalsContact CG2-OE2 3.23Å; I561-E580 WeakPolarHBondContact CG2-OE2 3.44Å; D577-E580 HydrophobicContact CB-CB 4.27Å; D577-E580 PolarHBondContact O-N 3.22Å; D577-E580 PolarHBondContact OD1-N 3.27Å; E580-R582 VanDerWaalsContact C-N 3.32Å; E580-R582 PolarHBondContact O-N 3.43Å; E580-G583 PolarHBondContact O-N 3.14Å; E580-G583 VanDerWaalsContact O-N 3.13Å
581I80.7Confident88.1Confident7 Ų744.4 Ų44.44%0.03622%0.221CC..Hα-helixtrans-57.1-43.5177.4-69.1167.3000111.7I561 Y576 D577 G583 S584 L585 N666I561-I581 HydrophobicContact CB-CD1 4.48Å; I561-I581 HydrophobicContact CB-CG1 3.99Å; I561-I581 HydrophobicContact CD1-CG1 4.2Å; I561-I581 HydrophobicContact CG1-CG1 4.16Å; Y576-I581 HydrophobicContact CD1-CD1 4.18Å; D577-I581 WeakPolarHBondContact O-CD1 3.3Å; D577-I581 VanDerWaalsContact O-CG1 3.22Å; D577-I581 WeakPolarHBondContact O-CG1 3.31Å; D577-I581 PolarHBondContact O-N 2.93Å; D577-I581 VanDerWaalsContact O-N 3.08Å; I581-G583 VanDerWaalsContact C-N 3.32Å; I581-G583 PolarHBondContact O-N 2.91Å; I581-S584 PolarHBondContact O-OG 3.18Å; I581-L585 HydrophobicContact CG2-CD1 4.14Å; I581-L585 PolarHBondContact O-N 3.22Å; I581-N666 HydrophobicContact CG2-CB 4Å
582R79.6Confident88.2Confident89 Ų8943.2 Ų43.234%0.33622%0.215SC..Hα-helixtrans-67.7-31.8-179.9-75.9175.6-179.1-169.3-0.2112.4F578 K579 E580 S584 L585 E673 D677F578-R582 WeakPolarHBondContact O-CB 3.48Å; F578-R582 VanDerWaalsContact O-CG 3.22Å; F578-R582 WeakPolarHBondContact O-CG 3.43Å; F578-R582 PolarHBondContact O-N 2.86Å; F578-R582 VanDerWaalsContact O-N 3.14Å; K579-R582 PolarHBondContact O-N 3.32Å; E580-R582 VanDerWaalsContact C-N 3.32Å; E580-R582 PolarHBondContact O-N 3.43Å; R582-S584 PolarHBondContact O-N 2.79Å; R582-L585 PolarHBondContact O-N 3.1Å; R582-E673 VanDerWaalsContact NH2-CB 3.34Å; R582-D677 IonicContact CZ-OD2 3.75Å; R582-D677 VanDerWaalsContact CZ-OD2 3.24Å; R582-D677 IonicContact NH1-OD2 3.48Å; R582-D677 PolarHBondContact NH1-OD2 2.9Å; R582-D677 IonicContact NH2-OD2 2.63Å; R582-D677 PolarHBondContact NH2-OD2 3.11Å
583G80.3Confident88Confident71 Ų7140.8 Ų40.873%0.73221%0.207SC*.Hα-helixtrans-63.2-26.3-178.900000114.4K579 E580 I581K579-G583 PolarHBondContact O-N 3.25Å; E580-G583 PolarHBondContact O-N 3.14Å; E580-G583 VanDerWaalsContact O-N 3.13Å; I581-G583 VanDerWaalsContact C-N 3.32Å; I581-G583 PolarHBondContact O-N 2.91Å
584S83.4Confident87.8Confident8 Ų839.4 Ų39.46%0.05620%0.2CC..THydrogen-bonded Turntrans-114.63-176.167.50000114.5Q558 I581 R582 R586 M587 Q588Q558-S584 PolarHBondContact OE1-OG 3.28Å; I581-S584 PolarHBondContact O-OG 3.18Å; R582-S584 PolarHBondContact O-N 2.79Å; S584-R586 VanDerWaalsContact C-N 3.32Å; S584-R586 PolarHBondContact O-N 3.3Å; S584-M587 WeakPolarHBondContact O-CA 3.19Å; S584-M587 WeakPolarHBondContact O-CB 3.48Å; S584-M587 PolarHBondContact O-N 3.31Å; S584-Q588 PolarHBondContact O-N 2.87Å
585L89.3Confident87.7Confident3 Ų339.3 Ų39.32%0.01620%0.201CC..Hα-helixtrans-61.7-38.9-163.9-158.676.3000113.2I581 R582 M587 Q588 A589 V619 W624 I667I581-L585 HydrophobicContact CG2-CD1 4.14Å; I581-L585 PolarHBondContact O-N 3.22Å; R582-L585 PolarHBondContact O-N 3.1Å; L585-M587 VanDerWaalsContact C-N 3.32Å; L585-M587 PolarHBondContact O-N 2.88Å; L585-Q588 PolarHBondContact O-N 3.46Å; L585-A589 VanDerWaalsContact O-CB 3.32Å; L585-A589 WeakPolarHBondContact O-CB 3.47Å; L585-A589 PolarHBondContact O-N 2.87Å; L585-V619 HydrophobicContact CD2-CG1 3.8Å; L585-V619 HydrophobicContact CG-CG1 4.14Å; L585-W624 HydrophobicContact CD2-CH2 3.32Å; L585-W624 HydrophobicContact CD2-CZ2 4.34Å; L585-W624 HydrophobicContact CD2-CZ3 3.76Å; L585-I667 HydrophobicContact CD1-CB 4.37Å; L585-I667 HydrophobicContact CD1-CG1 3.72Å; L585-I667 HydrophobicContact CG-CG1 4.1Å
586R91.7Very high87.5Confident64 Ų6441.1 Ų41.124%0.24222%0.22CC..Hα-helixtrans-62.8-37.9176.1-68.3-177.565.8-166.6-0.2112E543 L546 S584 A589 A590 F620E543-R586 IonicContact OE1-NH1 2.87Å; E543-R586 IonicContact OE2-CZ 3.94Å; E543-R586 IonicContact OE2-NH1 3.7Å; E543-R586 PolarHBondContact OE2-NH1 2.75Å; E543-R586 IonicContact OE2-NH2 3.97Å; L546-R586 HydrophobicContact CD1-CB 3.71Å; S584-R586 VanDerWaalsContact C-N 3.32Å; S584-R586 PolarHBondContact O-N 3.3Å; R586-A589 PolarHBondContact O-N 2.87Å; R586-A590 PolarHBondContact O-N 3.24Å; R586-F620 PolarHBondContact NE-O 3.19Å; R586-F620 VanDerWaalsContact NE-O 3.11Å; R586-F620 PolarHBondContact NH2-O 3.43Å
587M91.4Very high87.6Confident65 Ų6543 Ų4332%0.3223%0.232SC..Hα-helixtrans-66.8-43.5174.9-65.7-174.5-74.900111.1L546 Y555 S584 L585 A589 A590 R591L546-M587 HydrophobicContact CD1-CG 4.02Å; L546-M587 HydrophobicContact CD2-CG 3.76Å; Y555-M587 HydrophobicContact CD1-SD 4.43Å; Y555-M587 HydrophobicContact CD2-CB 4.44Å; Y555-M587 HydrophobicContact CG-CB 4.27Å; S584-M587 WeakPolarHBondContact O-CA 3.19Å; S584-M587 WeakPolarHBondContact O-CB 3.48Å; S584-M587 PolarHBondContact O-N 3.31Å; L585-M587 VanDerWaalsContact C-N 3.32Å; L585-M587 PolarHBondContact O-N 2.88Å; M587-A589 PolarHBondContact O-N 2.82Å; M587-A590 WeakPolarHBondContact O-CB 3.42Å; M587-A590 PolarHBondContact O-N 3.17Å; M587-R591 PolarHBondContact O-N 2.72Å
588Q92.7Very high87.9Confident5 Ų542.1 Ų42.12%0.02323%0.23CC..Hα-helixtrans-66.1-37.7177-65-55.5-50.400112.2P556 S584 L585 A590 R591 T663P556-Q588 PolarHBondContact O-NE2 2.97Å; S584-Q588 PolarHBondContact O-N 2.87Å; L585-Q588 PolarHBondContact O-N 3.46Å; Q588-A590 VanDerWaalsContact C-N 3.31Å; Q588-A590 PolarHBondContact O-N 3.27Å; Q588-R591 WeakPolarHBondContact O-CB 3.41Å; Q588-R591 PolarHBondContact O-N 2.88Å; Q588-T663 WeakPolarHBondContact CB-OG1 3.28Å
589A94.3Very high88.3Confident0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-65.5-31.8172.900000112.8K548 L585 R586 M587 R591 C592 N616 V619 F620 I667K548-A589 PolarHBondContact NZ-O 3.33Å; K548-A589 VanDerWaalsContact NZ-O 3.1Å; L585-A589 VanDerWaalsContact O-CB 3.32Å; L585-A589 WeakPolarHBondContact O-CB 3.47Å; L585-A589 PolarHBondContact O-N 2.87Å; R586-A589 PolarHBondContact O-N 2.87Å; M587-A589 PolarHBondContact O-N 2.82Å; A589-R591 PolarHBondContact O-N 3.44Å; A589-C592 WeakPolarHBondContact O-CB 3.3Å; A589-C592 PolarHBondContact O-N 3.4Å; A589-N616 WeakPolarHBondContact CB-O 3.32Å; A589-V619 HydrophobicContact CB-CB 4.27Å; A589-V619 HydrophobicContact CB-CG1 3.94Å; A589-F620 HydrophobicContact CB-CB 4.14Å; A589-I667 HydrophobicContact CB-CD1 4.1Å
590A93.9Very high88.9Confident0 Ų034.9 Ų34.90%020%0.199CC..Hα-helixtrans-64-25.4173.700000112.9Y555 R586 M587 Q588 C592 F620Y555-A590 HydrophobicContact CD2-CB 3.96Å; Y555-A590 HydrophobicContact CE2-CB 3.86Å; R586-A590 PolarHBondContact O-N 3.24Å; M587-A590 WeakPolarHBondContact O-CB 3.42Å; M587-A590 PolarHBondContact O-N 3.17Å; Q588-A590 VanDerWaalsContact C-N 3.31Å; Q588-A590 PolarHBondContact O-N 3.27Å; A590-C592 PolarHBondContact O-N 2.91Å; A590-F620 HydrophobicContact CB-CD2 3.61Å; A590-F620 HydrophobicContact CB-CE2 3.76Å
591R94Very high89.4Confident2 Ų232.3 Ų32.31%0.00819%0.188CC..THydrogen-bonded Turntrans-67.8-19.9176.6-55.6179.672.5-121-7.7113F552 Y555 R557 M587 Q588 A589 M593 L655 P660 A661 V662F552-R591 HydrophobicContact CB-CB 4.31Å; Y555-R591 VanDerWaalsContact O-CD 3.26Å; Y555-R591 WeakPolarHBondContact O-CD 3.47Å; Y555-R591 PolarHBondContact O-NE 3.5Å; R557-R591 VanDerWaalsContact CG-NH1 3.35Å; M587-R591 PolarHBondContact O-N 2.72Å; Q588-R591 WeakPolarHBondContact O-CB 3.41Å; Q588-R591 PolarHBondContact O-N 2.88Å; A589-R591 PolarHBondContact O-N 3.44Å; R591-M593 PolarHBondContact O-N 2.8Å; R591-L655 HydrophobicContact CB-CD2 4.48Å; R591-P660 PolarHBondContact NH1-O 3.37Å; R591-P660 PolarHBondContact NH2-O 2.82Å; R591-A661 PolarHBondContact NH1-O 2.81Å; R591-V662 HydrophobicContact CB-CG2 4.35Å
592C94.1Very high89.6Confident12 Ų1233.2 Ų33.28%0.08120%0.199CC..  trans-64.1122.6174.4179.80000110.8K548 A589 A590 D594 N616 V662K548-C592 PolarHBondContact NZ-O 2.84Å; A589-C592 WeakPolarHBondContact O-CB 3.3Å; A589-C592 PolarHBondContact O-N 3.4Å; A590-C592 PolarHBondContact O-N 2.91Å; C592-D594 VanDerWaalsContact C-N 3.31Å; C592-D594 PolarHBondContact O-N 2.81Å; C592-N616 HydrophobicContact CB-CB 4.04Å; C592-V662 HydrophobicContact CB-CG1 4.4Å; C592-V662 HydrophobicContact CB-CG2 4.14Å
593M90.3Very high89.7Confident15 Ų1536.4 Ų36.47%0.07422%0.222CC..  trans-81.1-4-176.2-73-171.8-53.500115M58 P67 F552 R591 C595 C654 L655M58-M593 HydrophobicContact CE-CB 3.52Å; M58-M593 HydrophobicContact CE-CG 3.83Å; M58-M593 HydrophobicContact CE-SD 3.82Å; M58-M593 HydrophobicContact SD-CB 3.98Å; M58-M593 HydrophobicContact SD-CE 4.02Å; M58-M593 HydrophobicContact SD-CG 4.27Å; M58-M593 HydrophobicContact SD-SD 3.59Å; P67-M593 HydrophobicContact CB-CE 4.19Å; P67-M593 HydrophobicContact CB-SD 3.74Å; P67-M593 HydrophobicContact CG-CE 3.83Å; P67-M593 HydrophobicContact CG-SD 3.72Å; F552-M593 HydrophobicContact CD1-CG 3.61Å; F552-M593 HydrophobicContact CD1-SD 4.07Å; F552-M593 HydrophobicContact CD2-SD 4.36Å; F552-M593 HydrophobicContact CE1-CG 3.9Å; F552-M593 HydrophobicContact CE1-SD 4.03Å; F552-M593 HydrophobicContact CE2-SD 4.31Å; F552-M593 HydrophobicContact CG-CG 4.12Å; F552-M593 HydrophobicContact CG-SD 4.24Å; F552-M593 HydrophobicContact CZ-SD 4.15Å; R591-M593 PolarHBondContact O-N 2.8Å; M593-C595 PolarHBondContact O-N 3.26Å; M593-C654 HydrophobicContact CE-CB 4.01Å; M593-L655 HydrophobicContact CE-CB 3.83Å; M593-L655 HydrophobicContact CE-CD1 4.1Å; M593-L655 HydrophobicContact SD-CD1 3.88Å
594D90.1Very high90.1Very high72 Ų7235.9 Ų35.939%0.38521%0.205SC..  trans51.756-175.3-174.649.4000112K60 C592K60-D594 WeakPolarHBondContact CE-O 3.47Å; K60-D594 PolarHBondContact NZ-O 2.98Å; K60-D594 IonicContact NZ-OD2 3.59Å; K60-D594 PolarHBondContact NZ-OD2 3.12Å; C592-D594 VanDerWaalsContact C-N 3.31Å; C592-D594 PolarHBondContact O-N 2.81Å
595C90.1Very high90.5Very high19 Ų1935.5 Ų35.513%0.12820%0.203CC..  trans-64.3135-171.3-60.60000111.6M593 V597M593-C595 PolarHBondContact O-N 3.26Å; C595-V597 PolarHBondContact O-N 2.92Å
596G86.7Confident90.7Very high38 Ų3835.9 Ų35.939%0.39221%0.205SC..SBendtrans-60.2-26.7176.600000114.6M58M58-G596 PolarHBondContact O-N 2.87Å
597V88Confident90.7Very high51 Ų5133.4 Ų33.431%0.30920%0.197SC..SBendtrans-120.897.3164.9-176.50000107.9M57 C595 F599M57-V597 HydrophobicContact CB-CB 4.32Å; M57-V597 HydrophobicContact CB-CG2 3.79Å; M57-V597 PolarHBondContact O-N 3.25Å; C595-V597 PolarHBondContact O-N 2.92Å; V597-F599 HydrophobicContact CB-CD2 4.49Å; V597-F599 HydrophobicContact CB-CE2 4.09Å; V597-F599 HydrophobicContact CG1-CD2 4.09Å; V597-F599 HydrophobicContact CG1-CE2 3.72Å; V597-F599 HydrophobicContact CG1-CZ 3.97Å; V597-F599 VanDerWaalsContact O-CD2 3.29Å; V597-F599 WeakPolarHBondContact O-CD2 3.32Å; V597-F599 PolarHBondContact O-N 3.4Å
598P90.4Very high90.8Very high31 Ų3130.5 Ų30.520%0.20118%0.183CC..  trans-84.484.2-172.634.8-37.1000111C600 Q601 P613P598-C600 PolarHBondContact O-N 3.16Å; P598-Q601 HydrophobicContact CB-CG 3.92Å; P598-Q601 HydrophobicContact CG-CB 4.39Å; P598-Q601 VanDerWaalsContact CG-CD 3.48Å; P598-Q601 HydrophobicContact CG-CG 3.89Å; P598-Q601 VanDerWaalsContact CG-OE1 3.23Å; P598-Q601 WeakPolarHBondContact O-CB 3.45Å; P598-Q601 PolarHBondContact O-N 3.27Å; P598-P613 HydrophobicContact CB-CG 3.74Å
599F91.8Very high90.8Very high60 Ų6030.8 Ų30.826%0.26319%0.188SC..G310 helixtrans-56-22.6-179.6-73.6-88.3000114.3V597 Q601 G602 A652 W876 P877V597-F599 HydrophobicContact CB-CD2 4.49Å; V597-F599 HydrophobicContact CB-CE2 4.09Å; V597-F599 HydrophobicContact CG1-CD2 4.09Å; V597-F599 HydrophobicContact CG1-CE2 3.72Å; V597-F599 HydrophobicContact CG1-CZ 3.97Å; V597-F599 VanDerWaalsContact O-CD2 3.29Å; V597-F599 WeakPolarHBondContact O-CD2 3.32Å; V597-F599 PolarHBondContact O-N 3.4Å; F599-Q601 PolarHBondContact O-N 3.42Å; F599-G602 PolarHBondContact O-N 3.47Å; F599-A652 VanDerWaalsContact CB-O 3.25Å; F599-A652 WeakPolarHBondContact CB-O 3.46Å; F599-W876 HydrophobicContact CB-CH2 4.32Å; F599-W876 HydrophobicContact CB-CZ2 4.06Å; F599-W876 HydrophobicContact CD1-CH2 4.28Å; F599-W876 AromaticContact CD2-CH2 3.35Å; F599-W876 HydrophobicContact CD2-CH2 3.35Å; F599-W876 AromaticContact CD2-CZ2 3.89Å; F599-W876 HydrophobicContact CD2-CZ2 3.89Å; F599-W876 HydrophobicContact CD2-CZ3 4.32Å; F599-W876 HydrophobicContact CE1-CH2 4.44Å; F599-W876 AromaticContact CE2-CH2 3.54Å; F599-W876 HydrophobicContact CE2-CH2 3.54Å; F599-W876 HydrophobicContact CE2-CZ2 4.5Å; F599-W876 HydrophobicContact CE2-CZ3 4.15Å; F599-W876 AromaticContact CG-CH2 3.73Å; F599-W876 HydrophobicContact CG-CH2 3.73Å; F599-W876 AromaticContact CG-CZ2 3.98Å; F599-W876 HydrophobicContact CG-CZ2 3.98Å; F599-W876 HydrophobicContact CZ-CH2 4.09Å; F599-W876 HydrophobicContact CZ-CZ3 4.3Å; F599-P877 HydrophobicContact CB-CB 4.38Å; F599-P877 HydrophobicContact CD1-CB 4.15Å; F599-P877 HydrophobicContact CD1-CG 3.73Å; F599-P877 HydrophobicContact CE1-CG 4.14Å; F599-P877 HydrophobicContact CG-CB 4.47Å
600C93.9Very high90.8Very high12 Ų1230.9 Ų30.98%0.08119%0.188CC..G310 helixtrans-61.1-25.7170.9580000113.6P598 C606 I612 C649 I664P598-C600 PolarHBondContact O-N 3.16Å; C600-C606 WeakPolarHBondContact O-CB 3.25Å; C600-C606 PolarHBondContact O-N 2.87Å; C600-I612 HydrophobicContact CB-CD1 3.88Å; C600-I612 WeakPolarHBondContact O-CD1 2.96Å; C600-C649 HydrophobicContact CB-CB 4.29Å; C600-C649 WeakPolarHBondContact CB-O 3.29Å; C600-I664 HydrophobicContact CB-CD1 3.95Å
601Q91.3Very high90.8Very high55 Ų5532.7 Ų32.726%0.25720%0.198SC..G310 helixtrans-90.3-11.9173.7-48.5-175.1-23.700113.3P598 F599 G609 N610 I611P598-Q601 HydrophobicContact CB-CG 3.92Å; P598-Q601 HydrophobicContact CG-CB 4.39Å; P598-Q601 VanDerWaalsContact CG-CD 3.48Å; P598-Q601 HydrophobicContact CG-CG 3.89Å; P598-Q601 VanDerWaalsContact CG-OE1 3.23Å; P598-Q601 WeakPolarHBondContact O-CB 3.45Å; P598-Q601 PolarHBondContact O-N 3.27Å; F599-Q601 PolarHBondContact O-N 3.42Å; Q601-G609 WeakPolarHBondContact O-CA 3.46Å; Q601-N610 VanDerWaalsContact CG-O 3.24Å; Q601-N610 WeakPolarHBondContact CG-O 3.11Å; Q601-I611 VanDerWaalsContact NE2-C 3.33Å; Q601-I611 VanDerWaalsContact NE2-CA 3.29Å
602G84.6Confident90.9Very high26 Ų2632.7 Ų32.727%0.26820%0.198SC..SBendtrans-80179.2-17400000113.5F599 T604 G605 C606F599-G602 PolarHBondContact O-N 3.47Å; G602-T604 PolarHBondContact O-N 3.19Å; G602-T604 VanDerWaalsContact O-N 3.13Å; G602-G605 CarbonylContact O-C 3.57Å; G602-G605 WeakPolarHBondContact O-CA 3.26Å; G602-G605 PolarHBondContact O-N 3.17Å; G602-C606 PolarHBondContact O-N 3.46Å
603N82.3Confident90.9Very high156 Ų15632.5 Ų32.583%0.83420%0.196SC*.THydrogen-bonded Turntrans-59.3-26.5-177.7-65.3-13.3000114.2
604T86.8Confident91.1Very high59 Ų5936.3 Ų36.336%0.36221%0.212SC..THydrogen-bonded Turntrans-89.4-11.7175.5610000113.2G602 P877G602-T604 PolarHBondContact O-N 3.19Å; G602-T604 VanDerWaalsContact O-N 3.13Å; T604-P877 WeakPolarHBondContact CB-O 3.32Å; T604-P877 HydrophobicContact CG2-CG 4.37Å; T604-P877 WeakPolarHBondContact OG1-CG 3.37Å; T604-P877 PolarHBondContact OG1-O 2.97Å
605G92.6Very high91.4Very high1 Ų132.9 Ų32.91%0.0119%0.194CC..SBendtrans-97.4-109.7178.200000111.2G602 P607 P648G602-G605 CarbonylContact O-C 3.57Å; G602-G605 WeakPolarHBondContact O-CA 3.26Å; G602-G605 PolarHBondContact O-N 3.17Å; G605-P607 WeakPolarHBondContact O-CD 3.25Å; G605-P648 WeakPolarHBondContact O-CB 3.39Å; G605-P648 WeakPolarHBondContact O-CG 3.4Å
606C94.6Very high91.6Very high10 Ų1032 Ų327%0.06819%0.188CC..  trans-88.7118.9-179.3-175.50000111.9C600 G602 L608 G609 N610 I612 C649C600-C606 WeakPolarHBondContact O-CB 3.25Å; C600-C606 PolarHBondContact O-N 2.87Å; G602-C606 PolarHBondContact O-N 3.46Å; C606-L608 PolarHBondContact O-N 3.13Å; C606-L608 VanDerWaalsContact O-N 3.15Å; C606-G609 PolarHBondContact O-N 3.43Å; C606-N610 HydrophobicContact CB-CB 4.45Å; C606-N610 VanDerWaalsContact SG-CG 3.56Å; C606-I612 HydrophobicContact CB-CD1 4.09Å; C606-C649 HydrophobicContact CB-CB 4.32Å
607P91.7Very high92Very high12 Ų1231.6 Ų31.68%0.07818%0.177CC..THydrogen-bonded Turntrans-59-26.9177.4-29.639.2000115.2G605 G609 V1008 W1009 H1012G605-P607 WeakPolarHBondContact O-CD 3.25Å; P607-G609 VanDerWaalsContact C-N 3.28Å; P607-V1008 HydrophobicContact CB-CG2 4.3Å; P607-V1008 HydrophobicContact CG-CG1 3.86Å; P607-V1008 HydrophobicContact CG-CG2 4.31Å; P607-W1009 HydrophobicContact CB-CD2 3.65Å; P607-W1009 HydrophobicContact CB-CE3 3.8Å; P607-W1009 HydrophobicContact CB-CG 4.23Å; P607-W1009 HydrophobicContact CB-CH2 3.97Å; P607-W1009 HydrophobicContact CB-CZ2 3.84Å; P607-W1009 HydrophobicContact CB-CZ3 3.96Å; P607-W1009 HydrophobicContact CG-CD2 3.84Å; P607-W1009 VanDerWaalsContact CG-CE2 3.43Å; P607-W1009 HydrophobicContact CG-CE3 4.47Å; P607-W1009 HydrophobicContact CG-CG 4.17Å; P607-W1009 HydrophobicContact CG-CH2 4.38Å; P607-W1009 HydrophobicContact CG-CZ2 3.74Å; P607-H1012 PolarHBondContact O-CE1 3.12Å; P607-H1012 PolarHBondContact O-ND1 2.75Å
608L92.7Very high92.4Very high4 Ų429.7 Ų29.72%0.02117%0.165CC..THydrogen-bonded Turntrans-75.9-16.8175.4-68.2168.9000113.1C606 N610 N635 V1008 I1011 H1012 G1035C606-L608 PolarHBondContact O-N 3.13Å; C606-L608 VanDerWaalsContact O-N 3.15Å; L608-N610 VanDerWaalsContact CB-OD1 3.26Å; L608-N610 WeakPolarHBondContact CB-OD1 3.46Å; L608-N635 HydrophobicContact CD1-CB 3.75Å; L608-N635 VanDerWaalsContact CD1-CG 3.44Å; L608-N635 WeakPolarHBondContact CD1-OD1 3.26Å; L608-V1008 HydrophobicContact CD1-CG2 3.76Å; L608-V1008 HydrophobicContact CG-CG2 3.76Å; L608-I1011 HydrophobicContact CD1-CG2 4.28Å; L608-I1011 HydrophobicContact CD2-CB 4.33Å; L608-I1011 HydrophobicContact CD2-CG2 3.84Å; L608-H1012 HydrophobicContact CD2-CB 3.86Å; L608-G1035 PolarHBondContact O-N 3.22Å
609G92.3Very high92.6Very high12 Ų1228.2 Ų28.212%0.12416%0.156CC..  trans69.433.1-169.300000112.6Q601 C606 P607 I611 G1035Q601-G609 WeakPolarHBondContact O-CA 3.46Å; C606-G609 PolarHBondContact O-N 3.43Å; P607-G609 VanDerWaalsContact C-N 3.28Å; G609-I611 PolarHBondContact O-N 3.28Å; G609-G1035 WeakPolarHBondContact O-CA 3.49Å
610N94.2Very high92.7Very high2 Ų226.8 Ų26.81%0.01115%0.149CC..  trans-51.2139.3-179.2-74.1-1.3000111.3Q601 C606 L608 I612 T634Q601-N610 VanDerWaalsContact CG-O 3.24Å; Q601-N610 WeakPolarHBondContact CG-O 3.11Å; C606-N610 HydrophobicContact CB-CB 4.45Å; C606-N610 VanDerWaalsContact SG-CG 3.56Å; L608-N610 VanDerWaalsContact CB-OD1 3.26Å; L608-N610 WeakPolarHBondContact CB-OD1 3.46Å; N610-I612 HydrophobicContact CB-CD1 4.44Å; N610-I612 HydrophobicContact CB-CG1 4.02Å; N610-I612 PolarHBondContact O-N 3.04Å; N610-T634 WeakPolarHBondContact CA-OG1 3.46Å; N610-T634 VanDerWaalsContact OD1-CB 3.28Å; N610-T634 WeakPolarHBondContact OD1-CB 3.2Å; N610-T634 PolarHBondContact OD1-OG1 2.54Å
611I93.7Very high92.7Very high38 Ų3832.2 Ų32.220%0.19517%0.171CC..  trans-79.957.4-174.4-41.4174.7000111.3Q601 G609 K614 W615 T634Q601-I611 VanDerWaalsContact NE2-C 3.33Å; Q601-I611 VanDerWaalsContact NE2-CA 3.29Å; G609-I611 PolarHBondContact O-N 3.28Å; I611-K614 HydrophobicContact CB-CB 4.35Å; I611-K614 HydrophobicContact CG2-CB 3.65Å; I611-K614 WeakPolarHBondContact O-CB 3.1Å; I611-K614 PolarHBondContact O-N 2.83Å; I611-W615 VanDerWaalsContact O-CD1 3.28Å; I611-W615 PolarHBondContact O-N 2.74Å; I611-T634 HydrophobicContact CD1-CG2 4.34Å; I611-T634 HydrophobicContact CG1-CG2 3.91Å
612I95.9Very high92.7Very high2 Ų233.2 Ų33.21%0.0118%0.178CC..Hα-helixtrans-52.3-51.9-163.8-68.1152.8000115.7C600 C606 N610 K614 W615 N616 C649 I664C600-I612 HydrophobicContact CB-CD1 3.88Å; C600-I612 WeakPolarHBondContact O-CD1 2.96Å; C606-I612 HydrophobicContact CB-CD1 4.09Å; N610-I612 HydrophobicContact CB-CD1 4.44Å; N610-I612 HydrophobicContact CB-CG1 4.02Å; N610-I612 PolarHBondContact O-N 3.04Å; I612-K614 PolarHBondContact O-N 3.01Å; I612-W615 VanDerWaalsContact CA-CE2 3.46Å; I612-W615 HydrophobicContact CB-CH2 4.44Å; I612-W615 HydrophobicContact CB-CZ2 3.9Å; I612-W615 HydrophobicContact CG1-CH2 4.18Å; I612-W615 HydrophobicContact CG1-CZ2 3.43Å; I612-W615 VanDerWaalsContact CG1-CZ2 3.43Å; I612-W615 HydrophobicContact CG2-CH2 4.01Å; I612-W615 HydrophobicContact CG2-CZ2 3.98Å; I612-N616 WeakPolarHBondContact CG2-ND2 3.11Å; I612-N616 WeakPolarHBondContact O-CB 3.36Å; I612-N616 PolarHBondContact O-N 3.13Å; I612-N616 PolarHBondContact O-ND2 3.29Å; I612-C649 HydrophobicContact CD1-CB 3.71Å; I612-I664 HydrophobicContact CD1-CG2 4.02Å; I612-I664 HydrophobicContact CG1-CG2 3.96Å; I612-I664 HydrophobicContact CG2-CB 4.49Å; I612-I664 HydrophobicContact CG2-CD1 3.95Å; I612-I664 HydrophobicContact CG2-CG1 3.9Å; I612-I664 HydrophobicContact CG2-CG2 3.78Å
613P95Very high93.2Very high8 Ų835.3 Ų35.35%0.05218%0.184CC..Hα-helixtrans-59.9-31.8179.4-22.836.6000113.1P598 D617P598-P613 HydrophobicContact CB-CG 3.74Å; P613-D617 WeakPolarHBondContact O-CB 3.5Å; P613-D617 PolarHBondContact O-N 3.12Å
614K94.9Very high93.8Very high94 Ų9429.3 Ų29.341%0.40915%0.149SC..Hα-helixtrans-67.2-54.7-177.6-178.561.9175.9-179.80111.4I611 I612 N616 D617 L618 Q630I611-K614 HydrophobicContact CB-CB 4.35Å; I611-K614 HydrophobicContact CG2-CB 3.65Å; I611-K614 WeakPolarHBondContact O-CB 3.1Å; I611-K614 PolarHBondContact O-N 2.83Å; I612-K614 PolarHBondContact O-N 3.01Å; K614-N616 VanDerWaalsContact C-N 3.31Å; K614-N616 PolarHBondContact O-N 2.89Å; K614-D617 PolarHBondContact O-N 3.03Å; K614-L618 HydrophobicContact CD-CD1 4.45Å; K614-L618 HydrophobicContact CG-CD1 4.22Å; K614-L618 WeakPolarHBondContact O-CG 3.46Å; K614-L618 PolarHBondContact O-N 2.9Å; K614-Q630 HydrophobicContact CG-CB 4.47Å; K614-Q630 HydrophobicContact CG-CG 4.09Å
615W95.5Very high94.2Very high0 Ų032.5 Ų32.50%016%0.158CC..Hα-helixtrans-72.3-25.9178.951.1-110.4000112.5I611 I612 L618 V619 A627 I664 I667 E668 I671I611-W615 VanDerWaalsContact O-CD1 3.28Å; I611-W615 PolarHBondContact O-N 2.74Å; I612-W615 VanDerWaalsContact CA-CE2 3.46Å; I612-W615 HydrophobicContact CB-CH2 4.44Å; I612-W615 HydrophobicContact CB-CZ2 3.9Å; I612-W615 HydrophobicContact CG1-CH2 4.18Å; I612-W615 HydrophobicContact CG1-CZ2 3.43Å; I612-W615 VanDerWaalsContact CG1-CZ2 3.43Å; I612-W615 HydrophobicContact CG2-CH2 4.01Å; I612-W615 HydrophobicContact CG2-CZ2 3.98Å; W615-L618 PolarHBondContact O-N 2.83Å; W615-V619 WeakPolarHBondContact O-CG2 3.32Å; W615-V619 PolarHBondContact O-N 2.92Å; W615-A627 HydrophobicContact CB-CB 4.21Å; W615-I664 HydrophobicContact CH2-CB 4.47Å; W615-I664 HydrophobicContact CH2-CG2 3.52Å; W615-I664 HydrophobicContact CZ2-CG2 4.06Å; W615-I667 HydrophobicContact CE3-CG2 3.8Å; W615-I667 HydrophobicContact CZ3-CB 3.79Å; W615-I667 HydrophobicContact CZ3-CG2 3.48Å; W615-I667 VanDerWaalsContact CZ3-CG2 3.48Å; W615-E668 HydrophobicContact CH2-CB 4.2Å; W615-I671 HydrophobicContact CB-CD1 4.15Å; W615-I671 HydrophobicContact CD2-CD1 4.12Å; W615-I671 HydrophobicContact CE3-CD1 3.71Å; W615-I671 HydrophobicContact CG-CD1 4.36Å; W615-I671 HydrophobicContact CZ3-CD1 4.36Å
616N95.5Very high94.5Very high0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-61.7-44.9168.2-83.6-22.2000111.9A589 C592 I612 K614 L618 V619 F620 I667A589-N616 WeakPolarHBondContact CB-O 3.32Å; C592-N616 HydrophobicContact CB-CB 4.04Å; I612-N616 WeakPolarHBondContact CG2-ND2 3.11Å; I612-N616 WeakPolarHBondContact O-CB 3.36Å; I612-N616 PolarHBondContact O-N 3.13Å; I612-N616 PolarHBondContact O-ND2 3.29Å; K614-N616 VanDerWaalsContact C-N 3.31Å; K614-N616 PolarHBondContact O-N 2.89Å; N616-L618 VanDerWaalsContact C-N 3.34Å; N616-V619 PolarHBondContact O-N 3.1Å; N616-F620 PolarHBondContact O-N 2.89Å; N616-I667 WeakPolarHBondContact OD1-CD1 3.25Å; N616-I667 WeakPolarHBondContact OD1-CG2 3.34Å
617D95.3Very high94.6Very high31 Ų3134.9 Ų34.917%0.16617%0.168CC..Hα-helixtrans-64.6-39177.4-175.161.2000111.9P613 K614 F620 K621P613-D617 WeakPolarHBondContact O-CB 3.5Å; P613-D617 PolarHBondContact O-N 3.12Å; K614-D617 PolarHBondContact O-N 3.03Å; D617-F620 WeakPolarHBondContact O-CB 3.39Å; D617-F620 PolarHBondContact O-N 3.43Å; D617-K621 WeakPolarHBondContact O-CB 3.26Å; D617-K621 WeakPolarHBondContact O-CG 3.3Å; D617-K621 PolarHBondContact O-N 2.81Å; D617-K621 IonicContact OD1-NZ 2.7Å; D617-K621 WeakPolarHBondContact OD2-CE 3.24Å; D617-K621 IonicContact OD2-NZ 3.49Å; D617-K621 PolarHBondContact OD2-NZ 3.48Å
618L95.9Very high94.8Very high11 Ų1134.9 Ų34.96%0.05817%0.167CC..Hα-helixtrans-65.8-42.7176.1-68.2165.3000112.2K614 W615 N616 F620 K621 N622 D623 E626 A627 Q630K614-L618 HydrophobicContact CD-CD1 4.45Å; K614-L618 HydrophobicContact CG-CD1 4.22Å; K614-L618 WeakPolarHBondContact O-CG 3.46Å; K614-L618 PolarHBondContact O-N 2.9Å; W615-L618 PolarHBondContact O-N 2.83Å; N616-L618 VanDerWaalsContact C-N 3.34Å; L618-F620 VanDerWaalsContact C-N 3.33Å; L618-F620 PolarHBondContact O-N 3.22Å; L618-K621 CarbonylContact O-C 3.54Å; L618-K621 PolarHBondContact O-N 2.83Å; L618-N622 PolarHBondContact O-N 2.71Å; L618-D623 HydrophobicContact CD2-CB 4.17Å; L618-D623 PolarHBondContact O-N 2.95Å; L618-E626 HydrophobicContact CD1-CB 4.14Å; L618-E626 HydrophobicContact CD1-CG 3.74Å; L618-E626 HydrophobicContact CD2-CB 4.14Å; L618-E626 HydrophobicContact CD2-CG 3.94Å; L618-E626 HydrophobicContact CG-CG 4.5Å; L618-A627 HydrophobicContact CB-CB 3.81Å; L618-A627 HydrophobicContact CD1-CB 4.49Å; L618-Q630 HydrophobicContact CD1-CB 4.44Å; L618-Q630 HydrophobicContact CD1-CG 3.76Å
619V94.9Very high94.9Very high0 Ų038.3 Ų38.30%019%0.185CC..Hα-helixtrans-60.9-42.7172.5169.70000111.1L585 A589 W615 N616 K621 N622 W624 A627 I667 I671L585-V619 HydrophobicContact CD2-CG1 3.8Å; L585-V619 HydrophobicContact CG-CG1 4.14Å; A589-V619 HydrophobicContact CB-CB 4.27Å; A589-V619 HydrophobicContact CB-CG1 3.94Å; W615-V619 WeakPolarHBondContact O-CG2 3.32Å; W615-V619 PolarHBondContact O-N 2.92Å; N616-V619 PolarHBondContact O-N 3.1Å; V619-K621 VanDerWaalsContact C-N 3.3Å; V619-K621 PolarHBondContact O-N 3.49Å; V619-N622 PolarHBondContact O-N 2.92Å; V619-W624 HydrophobicContact CG1-CH2 4.39Å; V619-W624 HydrophobicContact CG2-CE3 4.47Å; V619-A627 HydrophobicContact CG2-CB 4.04Å; V619-I667 HydrophobicContact CB-CG2 4.32Å; V619-I667 HydrophobicContact CG1-CG2 4.29Å; V619-I667 HydrophobicContact CG2-CG2 3.94Å; V619-I671 HydrophobicContact CG2-CD1 3.74Å; V619-I671 HydrophobicContact CG2-CG1 3.61Å
620F93.8Very high95.1Very high29 Ų2939 Ų3913%0.12719%0.185CC..Hα-helixtrans-57.8-42.9174.6167.6-100.8000112.2L546 K548 R586 A589 A590 N616 D617 L618 N622L546-F620 HydrophobicContact CB-CE2 3.7Å; L546-F620 HydrophobicContact CB-CZ 4.42Å; K548-F620 HydrophobicContact CB-CD1 4.44Å; K548-F620 HydrophobicContact CB-CE1 3.72Å; K548-F620 HydrophobicContact CB-CE2 4.21Å; K548-F620 HydrophobicContact CB-CZ 3.59Å; K548-F620 HydrophobicContact CD-CD1 3.92Å; K548-F620 HydrophobicContact CD-CD2 4.29Å; K548-F620 HydrophobicContact CD-CE1 4.07Å; K548-F620 HydrophobicContact CD-CE2 4.38Å; K548-F620 HydrophobicContact CD-CG 4.06Å; K548-F620 HydrophobicContact CD-CZ 4.31Å; K548-F620 HydrophobicContact CG-CD1 4.26Å; K548-F620 HydrophobicContact CG-CE1 3.99Å; K548-F620 HydrophobicContact CG-CZ 4.29Å; R586-F620 PolarHBondContact NE-O 3.19Å; R586-F620 VanDerWaalsContact NE-O 3.11Å; R586-F620 PolarHBondContact NH2-O 3.43Å; A589-F620 HydrophobicContact CB-CB 4.14Å; A590-F620 HydrophobicContact CB-CD2 3.61Å; A590-F620 HydrophobicContact CB-CE2 3.76Å; N616-F620 PolarHBondContact O-N 2.89Å; D617-F620 WeakPolarHBondContact O-CB 3.39Å; D617-F620 PolarHBondContact O-N 3.43Å; L618-F620 VanDerWaalsContact C-N 3.33Å; L618-F620 PolarHBondContact O-N 3.22Å; F620-N622 PolarHBondContact O-N 3.33Å
621K92.9Very high95.1Very high126 Ų12639 Ų3955%0.54819%0.185SC..THydrogen-bonded Turntrans-74.5-0.6176.2-70.5170.8177.4170.70114.5D617 L618 V619 D623D617-K621 WeakPolarHBondContact O-CB 3.26Å; D617-K621 WeakPolarHBondContact O-CG 3.3Å; D617-K621 PolarHBondContact O-N 2.81Å; D617-K621 IonicContact OD1-NZ 2.7Å; D617-K621 WeakPolarHBondContact OD2-CE 3.24Å; D617-K621 IonicContact OD2-NZ 3.49Å; D617-K621 PolarHBondContact OD2-NZ 3.48Å; L618-K621 CarbonylContact O-C 3.54Å; L618-K621 PolarHBondContact O-N 2.83Å; V619-K621 VanDerWaalsContact C-N 3.3Å; V619-K621 PolarHBondContact O-N 3.49Å; K621-D623 VanDerWaalsContact C-N 3.26Å; K621-D623 PolarHBondContact O-N 2.96Å
622N92.5Very high95.2Very high76 Ų7640.3 Ų40.341%0.40619%0.192SC..THydrogen-bonded Turntrans64.425.5-176.8-154.736000114L618 V619 F620 W624L618-N622 PolarHBondContact O-N 2.71Å; V619-N622 PolarHBondContact O-N 2.92Å; F620-N622 PolarHBondContact O-N 3.33Å; N622-W624 PolarHBondContact O-N 3.46Å; N622-W624 PolarHBondContact OD1-NE1 2.85Å
623D94.7Very high95Very high71 Ų7143.8 Ų43.838%0.3821%0.208SC..  trans-100.575.3177.4-169.4-9000111.1L618 K621 E626 A627L618-D623 HydrophobicContact CD2-CB 4.17Å; L618-D623 PolarHBondContact O-N 2.95Å; K621-D623 VanDerWaalsContact C-N 3.26Å; K621-D623 PolarHBondContact O-N 2.96Å; D623-E626 WeakPolarHBondContact OD1-CB 3.37Å; D623-E626 PolarHBondContact OD1-N 2.77Å; D623-A627 WeakPolarHBondContact O-CB 3.46Å; D623-A627 PolarHBondContact O-N 3.19Å; D623-A627 VanDerWaalsContact O-N 3.07Å
624W94.5Very high94.9Very high30 Ų3043.4 Ų43.411%0.11421%0.206CC..Hα-helixtrans-69.5-33.6-173.1-65.587.7000113.8L585 V619 N622 A627 L628 I671 Y674 W680L585-W624 HydrophobicContact CD2-CH2 3.32Å; L585-W624 HydrophobicContact CD2-CZ2 4.34Å; L585-W624 HydrophobicContact CD2-CZ3 3.76Å; V619-W624 HydrophobicContact CG1-CH2 4.39Å; V619-W624 HydrophobicContact CG2-CE3 4.47Å; N622-W624 PolarHBondContact O-N 3.46Å; N622-W624 PolarHBondContact OD1-NE1 2.85Å; W624-A627 PolarHBondContact O-N 3.35Å; W624-L628 PolarHBondContact O-N 3.09Å; W624-I671 HydrophobicContact CE3-CG1 4.5Å; W624-Y674 HydrophobicContact CB-CD1 3.83Å; W624-Y674 HydrophobicContact CB-CE1 3.78Å; W624-Y674 HydrophobicContact CD2-CD1 4.01Å; W624-Y674 HydrophobicContact CD2-CE1 4.21Å; W624-Y674 HydrophobicContact CD2-CG 4.22Å; W624-Y674 HydrophobicContact CE3-CD1 4.05Å; W624-Y674 AromaticContact CE3-CG 3.98Å; W624-Y674 HydrophobicContact CE3-CG 3.98Å; W624-Y674 AromaticContact CG-CD1 3.94Å; W624-Y674 HydrophobicContact CG-CD1 3.94Å; W624-Y674 AromaticContact CG-CE1 3.8Å; W624-Y674 HydrophobicContact CG-CE1 3.8Å; W624-Y674 HydrophobicContact CZ3-CG 4.34Å; W624-W680 HydrophobicContact CB-CH2 3.86Å; W624-W680 HydrophobicContact CB-CZ3 3.74Å
625K96Very high95Very high125 Ų12539 Ų3954%0.54319%0.187SC..Hα-helixtrans-69.6-44.8-177.5-171.1176.9-179.2-177.90110.3L628 I629 W680K625-L628 WeakPolarHBondContact O-CB 3.49Å; K625-L628 PolarHBondContact O-N 3.23Å; K625-I629 WeakPolarHBondContact O-CG1 3.46Å; K625-I629 PolarHBondContact O-N 2.92Å; K625-I629 VanDerWaalsContact O-N 3.13Å; K625-W680 HydrophobicContact CB-CE3 4.34Å; K625-W680 HydrophobicContact CB-CH2 4Å; K625-W680 HydrophobicContact CB-CZ2 4.42Å; K625-W680 HydrophobicContact CB-CZ3 3.98Å
626E97.2Very high94.9Very high62 Ų6239.7 Ų39.729%0.2919%0.19SC..Hα-helixtrans-68.1-37.3174.4-169.556.2-148.200111.1L618 D623 L628 I629 Q630L618-E626 HydrophobicContact CD1-CB 4.14Å; L618-E626 HydrophobicContact CD1-CG 3.74Å; L618-E626 HydrophobicContact CD2-CB 4.14Å; L618-E626 HydrophobicContact CD2-CG 3.94Å; L618-E626 HydrophobicContact CG-CG 4.5Å; D623-E626 WeakPolarHBondContact OD1-CB 3.37Å; D623-E626 PolarHBondContact OD1-N 2.77Å; E626-L628 VanDerWaalsContact C-N 3.28Å; E626-L628 PolarHBondContact O-N 2.79Å; E626-I629 PolarHBondContact O-N 3.19Å; E626-Q630 HydrophobicContact CG-CG 4.44Å; E626-Q630 VanDerWaalsContact O-CG 3.26Å; E626-Q630 WeakPolarHBondContact O-CG 3.41Å; E626-Q630 PolarHBondContact O-N 3.17Å; E626-Q630 PolarHBondContact OE1-NE2 3.08Å
627A96.9Very high95Very high0 Ų039.8 Ų39.80%019%0.191CC..Hα-helixtrans-57.4-41.4174.700000112.2W615 L618 V619 D623 W624 L631 I671W615-A627 HydrophobicContact CB-CB 4.21Å; L618-A627 HydrophobicContact CB-CB 3.81Å; L618-A627 HydrophobicContact CD1-CB 4.49Å; V619-A627 HydrophobicContact CG2-CB 4.04Å; D623-A627 WeakPolarHBondContact O-CB 3.46Å; D623-A627 PolarHBondContact O-N 3.19Å; D623-A627 VanDerWaalsContact O-N 3.07Å; W624-A627 PolarHBondContact O-N 3.35Å; A627-L631 WeakPolarHBondContact O-CB 3.24Å; A627-L631 PolarHBondContact O-N 3Å; A627-I671 HydrophobicContact CB-CD1 4.2Å; A627-I671 HydrophobicContact CB-CG1 4.32Å; A627-I671 HydrophobicContact CB-CG2 4.42Å
628L97Very high95.1Very high11 Ų1138.3 Ų38.36%0.05818%0.183CC..Hα-helixtrans-61.8-50.3174176.971.1000111.7W624 K625 E626 Q630 L631 L632 I671 I672 A675 W680W624-L628 PolarHBondContact O-N 3.09Å; K625-L628 WeakPolarHBondContact O-CB 3.49Å; K625-L628 PolarHBondContact O-N 3.23Å; E626-L628 VanDerWaalsContact C-N 3.28Å; E626-L628 PolarHBondContact O-N 2.79Å; L628-Q630 VanDerWaalsContact C-N 3.27Å; L628-Q630 PolarHBondContact O-N 2.98Å; L628-L631 PolarHBondContact O-N 3.25Å; L628-L631 VanDerWaalsContact O-N 3.13Å; L628-L632 HydrophobicContact CD1-CD1 3.76Å; L628-L632 HydrophobicContact CD1-CD2 4.46Å; L628-L632 HydrophobicContact CD1-CG 3.92Å; L628-L632 HydrophobicContact CD2-CD1 4.39Å; L628-L632 HydrophobicContact CG-CD1 3.82Å; L628-L632 HydrophobicContact CG-CG 4.26Å; L628-L632 WeakPolarHBondContact O-CG 3.49Å; L628-L632 PolarHBondContact O-N 3.04Å; L628-I671 HydrophobicContact CB-CG2 4.03Å; L628-I671 HydrophobicContact CD1-CG2 4.23Å; L628-I672 HydrophobicContact CD1-CD1 3.98Å; L628-A675 HydrophobicContact CD1-CB 3.62Å; L628-A675 HydrophobicContact CD2-CB 3.45Å; L628-A675 VanDerWaalsContact CD2-CB 3.45Å; L628-A675 HydrophobicContact CG-CB 4.04Å; L628-W680 HydrophobicContact CD2-CB 4.1Å; L628-W680 HydrophobicContact CD2-CE3 4.31Å
629I95.3Very high95.1Very high76 Ų7637.8 Ų37.839%0.3918%0.18SC..Hα-helixtrans-55.4-46.6-179.8-69166.9000110K625 E626 L632 Q633K625-I629 WeakPolarHBondContact O-CG1 3.46Å; K625-I629 PolarHBondContact O-N 2.92Å; K625-I629 VanDerWaalsContact O-N 3.13Å; E626-I629 PolarHBondContact O-N 3.19Å; I629-L632 PolarHBondContact O-N 2.94Å; I629-Q633 WeakPolarHBondContact O-CG 3.4Å; I629-Q633 PolarHBondContact O-N 3.31Å
630Q94.6Very high95.2Very high28 Ų2837.8 Ų37.813%0.13118%0.18CC..Hα-helixtrans-66.6-37.2179.2-62.2-64.8-34.700112.8K614 L618 E626 L628K614-Q630 HydrophobicContact CG-CB 4.47Å; K614-Q630 HydrophobicContact CG-CG 4.09Å; L618-Q630 HydrophobicContact CD1-CB 4.44Å; L618-Q630 HydrophobicContact CD1-CG 3.76Å; E626-Q630 HydrophobicContact CG-CG 4.44Å; E626-Q630 VanDerWaalsContact O-CG 3.26Å; E626-Q630 WeakPolarHBondContact O-CG 3.41Å; E626-Q630 PolarHBondContact O-N 3.17Å; E626-Q630 PolarHBondContact OE1-NE2 3.08Å; L628-Q630 VanDerWaalsContact C-N 3.27Å; L628-Q630 PolarHBondContact O-N 2.98Å
631L95.7Very high95.2Very high0 Ų036.5 Ų36.50%017%0.174CC..Hα-helixtrans-65.8-47.5176.6178.357.9000111.6A627 L628 Q633 T634 N635 P638 E668 I671A627-L631 WeakPolarHBondContact O-CB 3.24Å; A627-L631 PolarHBondContact O-N 3Å; L628-L631 PolarHBondContact O-N 3.25Å; L628-L631 VanDerWaalsContact O-N 3.13Å; L631-Q633 PolarHBondContact O-N 3.04Å; L631-T634 PolarHBondContact O-N 2.83Å; L631-T634 VanDerWaalsContact O-N 3.15Å; L631-T634 PolarHBondContact O-OG1 3.01Å; L631-T634 VanDerWaalsContact O-OG1 3.13Å; L631-N635 PolarHBondContact O-N 2.63Å; L631-N635 VanDerWaalsContact O-N 3.14Å; L631-P638 HydrophobicContact CD1-CB 4.37Å; L631-P638 HydrophobicContact CD2-CB 3.64Å; L631-P638 HydrophobicContact CD2-CG 4Å; L631-P638 HydrophobicContact CG-CB 4.04Å; L631-P638 HydrophobicContact CG-CG 4.22Å; L631-E668 HydrophobicContact CD1-CG 4.15Å; L631-E668 HydrophobicContact CD2-CG 4.18Å; L631-I671 HydrophobicContact CD2-CB 4.01Å; L631-I671 HydrophobicContact CD2-CD1 4.3Å; L631-I671 HydrophobicContact CD2-CG2 3.82Å
632L94.7Very high95.3Very high67 Ų6730.5 Ų30.535%0.35115%0.149SC..Hα-helixtrans-68.5-18.6-176.8-67.6-180000114L628 I629 T634 P638L628-L632 HydrophobicContact CD1-CD1 3.76Å; L628-L632 HydrophobicContact CD1-CD2 4.46Å; L628-L632 HydrophobicContact CD1-CG 3.92Å; L628-L632 HydrophobicContact CD2-CD1 4.39Å; L628-L632 HydrophobicContact CG-CD1 3.82Å; L628-L632 HydrophobicContact CG-CG 4.26Å; L628-L632 WeakPolarHBondContact O-CG 3.49Å; L628-L632 PolarHBondContact O-N 3.04Å; I629-L632 PolarHBondContact O-N 2.94Å; L632-T634 PolarHBondContact O-N 3.44Å; L632-P638 HydrophobicContact CD2-CG 3.97Å
633Q92.3Very high95.3Very high74 Ų7427 Ų2735%0.34613%0.13SC..THydrogen-bonded Turntrans-57.9-34.4171.1-75175.423.800112.3I629 L631 R1015I629-Q633 WeakPolarHBondContact O-CG 3.4Å; I629-Q633 PolarHBondContact O-N 3.31Å; L631-Q633 PolarHBondContact O-N 3.04Å; Q633-R1015 PolarHBondContact O-NH2 2.74Å
634T93.7Very high95.2Very high1 Ų124.3 Ų24.31%0.00612%0.116CC..THydrogen-bonded Turntrans-110.9-28.1-170.350.70000113.9N610 I611 L631 L632N610-T634 WeakPolarHBondContact CA-OG1 3.46Å; N610-T634 VanDerWaalsContact OD1-CB 3.28Å; N610-T634 WeakPolarHBondContact OD1-CB 3.2Å; N610-T634 PolarHBondContact OD1-OG1 2.54Å; I611-T634 HydrophobicContact CD1-CG2 4.34Å; I611-T634 HydrophobicContact CG1-CG2 3.91Å; L631-T634 PolarHBondContact O-N 2.83Å; L631-T634 VanDerWaalsContact O-N 3.15Å; L631-T634 PolarHBondContact O-OG1 3.01Å; L631-T634 VanDerWaalsContact O-OG1 3.13Å; L632-T634 PolarHBondContact O-N 3.44Å
635N95.6Very high95.1Very high1 Ų123.4 Ų23.41%0.00511%0.114CC..  trans-124127.6-178-166.9-3.8000112.1L608 L631 F637 T641 E668L608-N635 HydrophobicContact CD1-CB 3.75Å; L608-N635 VanDerWaalsContact CD1-CG 3.44Å; L608-N635 WeakPolarHBondContact CD1-OD1 3.26Å; L631-N635 PolarHBondContact O-N 2.63Å; L631-N635 VanDerWaalsContact O-N 3.14Å; N635-F637 PolarHBondContact OD1-N 3.29Å; N635-T641 PolarHBondContact ND2-OG1 3.48Å; N635-E668 PolarHBondContact ND2-OE1 3.48Å
636N94.7Very high94.7Very high14 Ų1419.6 Ų19.68%0.07510%0.102CC..SBendtrans-69.9-39.2174.1-63.268.5000112P638 A705 Q709 I1011 R1015N636-P638 VanDerWaalsContact C-CD 3.47Å; N636-A705 PolarHBondContact ND2-O 3Å; N636-Q709 PolarHBondContact ND2-NE2 3.45Å; N636-I1011 HydrophobicContact CB-CG2 4.38Å; N636-R1015 WeakPolarHBondContact OD1-CD 3.46Å; N636-R1015 WeakPolarHBondContact OD1-CG 3.36Å; N636-R1015 PolarHBondContact OD1-NH1 2.82Å
637F97.1Very high94.5Very high2 Ų216.9 Ų16.91%0.0099%0.091CC..  trans-133.962.6-166-43.8-54.8000112.2N635 E639 F640 T641 L704 A705 A708 R747 M751 I1011N635-F637 PolarHBondContact OD1-N 3.29Å; F637-E639 WeakPolarHBondContact CA-OE2 3.15Å; F637-E639 PolarHBondContact O-N 3.41Å; F637-E639 VanDerWaalsContact O-N 3.13Å; F637-F640 HydrophobicContact CB-CB 4.16Å; F637-F640 HydrophobicContact CB-CD2 3.24Å; F637-F640 HydrophobicContact CB-CE2 3.68Å; F637-F640 HydrophobicContact CB-CG 3.8Å; F637-F640 HydrophobicContact CD1-CE2 4.1Å; F637-F640 AromaticContact CD2-CD2 3.82Å; F637-F640 HydrophobicContact CD2-CD2 3.82Å; F637-F640 AromaticContact CD2-CE2 3.88Å; F637-F640 HydrophobicContact CD2-CE2 3.88Å; F637-F640 AromaticContact CG-CD2 3.63Å; F637-F640 HydrophobicContact CG-CD2 3.63Å; F637-F640 AromaticContact CG-CE2 3.62Å; F637-F640 HydrophobicContact CG-CE2 3.62Å; F637-F640 PolarHBondContact O-N 2.94Å; F637-T641 PolarHBondContact O-N 3.41Å; F637-T641 PolarHBondContact O-OG1 3.39Å; F637-L704 HydrophobicContact CE2-CB 3.72Å; F637-L704 HydrophobicContact CZ-CB 3.67Å; F637-A705 HydrophobicContact CE2-CB 3.85Å; F637-A705 HydrophobicContact CZ-CB 4.49Å; F637-A708 HydrophobicContact CZ-CB 4.45Å; F637-R747 HydrophobicContact CD1-CG 3.87Å; F637-R747 HydrophobicContact CE1-CG 3.92Å; F637-M751 HydrophobicContact CE1-SD 4.17Å; F637-M751 HydrophobicContact CZ-SD 4.29Å; F637-I1011 HydrophobicContact CB-CD1 4.3Å; F637-I1011 HydrophobicContact CD2-CD1 3.93Å; F637-I1011 HydrophobicContact CD2-CG1 4.03Å
638P96.7Very high94.3Very high0 Ų017.6 Ų17.60%010%0.095CC..Hα-helixtrans-56.2-25.1175.621.4-30.4000113.4L631 L632 N636 F640 T641 G642 E668 I672L631-P638 HydrophobicContact CD1-CB 4.37Å; L631-P638 HydrophobicContact CD2-CB 3.64Å; L631-P638 HydrophobicContact CD2-CG 4Å; L631-P638 HydrophobicContact CG-CB 4.04Å; L631-P638 HydrophobicContact CG-CG 4.22Å; L632-P638 HydrophobicContact CD2-CG 3.97Å; N636-P638 VanDerWaalsContact C-CD 3.47Å; P638-F640 VanDerWaalsContact C-N 3.28Å; P638-F640 PolarHBondContact O-N 3.12Å; P638-T641 WeakPolarHBondContact CA-OG1 3.42Å; P638-T641 PolarHBondContact O-OG1 3.09Å; P638-G642 WeakPolarHBondContact O-CA 3.2Å; P638-G642 PolarHBondContact O-N 3.31Å; P638-E668 HydrophobicContact CB-CG 3.84Å; P638-I672 HydrophobicContact CB-CB 4.06Å; P638-I672 HydrophobicContact CB-CG1 4.45Å; P638-I672 HydrophobicContact CB-CG2 4.12Å; P638-I672 HydrophobicContact CG-CB 3.81Å; P638-I672 HydrophobicContact CG-CD1 3.86Å; P638-I672 HydrophobicContact CG-CG1 3.77Å; P638-I672 HydrophobicContact CG-CG2 4.34Å
639E95.4Very high94.2Very high0 Ų017.6 Ų17.60%010%0.096CC..Hα-helixtrans-69-23.617566.1-90.6-14000113.3F637 R643 I672 I743 R747F637-E639 WeakPolarHBondContact CA-OE2 3.15Å; F637-E639 PolarHBondContact O-N 3.41Å; F637-E639 VanDerWaalsContact O-N 3.13Å; E639-R643 WeakPolarHBondContact O-CD 3.5Å; E639-R643 PolarHBondContact O-NH1 3.44Å; E639-I672 HydrophobicContact CB-CG1 4.09Å; E639-I672 HydrophobicContact CB-CG2 4.05Å; E639-I743 HydrophobicContact CB-CG2 3.92Å; E639-I743 HydrophobicContact CG-CG2 3.65Å; E639-R747 VanDerWaalsContact CD-NH2 3.34Å; E639-R747 IonicContact OE1-CZ 3.9Å; E639-R747 IonicContact OE1-NE 2.81Å; E639-R747 PolarHBondContact OE1-NE 3.37Å; E639-R747 IonicContact OE1-NH2 3.65Å; E639-R747 PolarHBondContact OE1-NH2 3.07Å; E639-R747 IonicContact OE2-NH2 3.7Å; E639-R747 PolarHBondContact OE2-NH2 2.93Å
640F97Very high94.2Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-86.2-54.4174-57.2-22000109.9F637 P638 G642 R643 V644 L730 L739 I743 I744 R747F637-F640 HydrophobicContact CB-CB 4.16Å; F637-F640 HydrophobicContact CB-CD2 3.24Å; F637-F640 HydrophobicContact CB-CE2 3.68Å; F637-F640 HydrophobicContact CB-CG 3.8Å; F637-F640 HydrophobicContact CD1-CE2 4.1Å; F637-F640 AromaticContact CD2-CD2 3.82Å; F637-F640 HydrophobicContact CD2-CD2 3.82Å; F637-F640 AromaticContact CD2-CE2 3.88Å; F637-F640 HydrophobicContact CD2-CE2 3.88Å; F637-F640 AromaticContact CG-CD2 3.63Å; F637-F640 HydrophobicContact CG-CD2 3.63Å; F637-F640 AromaticContact CG-CE2 3.62Å; F637-F640 HydrophobicContact CG-CE2 3.62Å; F637-F640 PolarHBondContact O-N 2.94Å; P638-F640 VanDerWaalsContact C-N 3.28Å; P638-F640 PolarHBondContact O-N 3.12Å; F640-G642 VanDerWaalsContact C-N 3.33Å; F640-G642 PolarHBondContact O-N 3.49Å; F640-R643 PolarHBondContact O-N 2.96Å; F640-V644 WeakPolarHBondContact O-CG2 3.05Å; F640-V644 PolarHBondContact O-N 3.44Å; F640-L730 HydrophobicContact CD2-CD1 3.63Å; F640-L730 HydrophobicContact CE2-CD1 3.75Å; F640-L730 HydrophobicContact CG-CD1 4.13Å; F640-L730 HydrophobicContact CZ-CD1 4.3Å; F640-L739 HydrophobicContact CD1-CD1 4.28Å; F640-L739 HydrophobicContact CD1-CD2 4.46Å; F640-I743 HydrophobicContact CD1-CG2 4.28Å; F640-I743 HydrophobicContact CE1-CG2 4.08Å; F640-I744 HydrophobicContact CE1-CG1 4.18Å; F640-R747 HydrophobicContact CE2-CG 4.45Å; F640-R747 HydrophobicContact CZ-CB 3.93Å; F640-R747 HydrophobicContact CZ-CG 4Å
641T95.5Very high94Very high2 Ų214 Ų141%0.0128%0.08CC..Hα-helixtrans-62.1-39.9-178.148.10000112N635 F637 P638 R643 C645 E668 V1008 I1011N635-T641 PolarHBondContact ND2-OG1 3.48Å; F637-T641 PolarHBondContact O-N 3.41Å; F637-T641 PolarHBondContact O-OG1 3.39Å; P638-T641 WeakPolarHBondContact CA-OG1 3.42Å; P638-T641 PolarHBondContact O-OG1 3.09Å; T641-R643 PolarHBondContact O-N 3.26Å; T641-C645 WeakPolarHBondContact O-CB 3.31Å; T641-C645 PolarHBondContact O-N 3.49Å; T641-E668 PolarHBondContact OG1-OE1 3.11Å; T641-V1008 HydrophobicContact CG2-CB 4.11Å; T641-V1008 HydrophobicContact CG2-CG2 4.35Å; T641-I1011 HydrophobicContact CG2-CD1 3.79Å
642G93.2Very high93.9Very high1 Ų114 Ų141%0.018%0.08CC..Hα-helixtrans-58.8-16.9175.400000114.3P638 F640 K665P638-G642 WeakPolarHBondContact O-CA 3.2Å; P638-G642 PolarHBondContact O-N 3.31Å; F640-G642 VanDerWaalsContact C-N 3.33Å; F640-G642 PolarHBondContact O-N 3.49Å; G642-K665 WeakPolarHBondContact O-CE 3.27Å; G642-K665 VanDerWaalsContact O-CG 3.24Å; G642-K665 WeakPolarHBondContact O-CG 3.49Å
643R92.8Very high93.9Very high1 Ų111.4 Ų11.40%0.0047%0.067CC..Hα-helixtrans-108.1-47.5-179.9-69.5177.6170.585-5.1113.5E574 Y576 E639 F640 T641 K665 E673 L739E574-R643 WeakPolarHBondContact OE1-CD 3.45Å; E574-R643 IonicContact OE1-CZ 3.62Å; E574-R643 IonicContact OE1-NE 3.44Å; E574-R643 PolarHBondContact OE1-NE 3.15Å; E574-R643 IonicContact OE1-NH2 3.92Å; E574-R643 PolarHBondContact OE1-NH2 3.01Å; E574-R643 IonicContact OE2-NH2 2.81Å; Y576-R643 PolarHBondContact OH-O 2.9Å; E639-R643 WeakPolarHBondContact O-CD 3.5Å; E639-R643 PolarHBondContact O-NH1 3.44Å; F640-R643 PolarHBondContact O-N 2.96Å; T641-R643 PolarHBondContact O-N 3.26Å; R643-K665 VanDerWaalsContact O-CE 3.24Å; R643-K665 WeakPolarHBondContact O-CE 3.44Å; R643-K665 PolarHBondContact O-NZ 3.25Å; R643-E673 IonicContact CZ-OE1 2.71Å; R643-E673 VanDerWaalsContact CZ-OE1 3.24Å; R643-E673 IonicContact NH1-OE1 2.83Å; R643-E673 PolarHBondContact NH1-OE1 2.78Å; R643-E673 IonicContact NH2-OE1 3.63Å; R643-E673 PolarHBondContact NH2-OE1 3.45Å; R643-E673 IonicContact NH2-OE2 3.84Å; R643-L739 HydrophobicContact CB-CD1 4.44Å
644V92.9Very high93.8Very high16 Ų168 Ų810%0.0975%0.052CC..Hα-helixtrans-104.7-16.2-167.7-47.60000113.7F640 I734 L739 V1007F640-V644 WeakPolarHBondContact O-CG2 3.05Å; F640-V644 PolarHBondContact O-N 3.44Å; V644-I734 HydrophobicContact CB-CD1 3.96Å; V644-I734 HydrophobicContact CG1-CD1 3.77Å; V644-I734 HydrophobicContact CG1-CG2 4.14Å; V644-I734 HydrophobicContact CG2-CD1 4.16Å; V644-L739 HydrophobicContact CG1-CB 3.89Å; V644-L739 HydrophobicContact CG1-CD2 4.15Å; V644-L739 HydrophobicContact CG1-CG 4.47Å; V644-V1007 HydrophobicContact CG2-CB 3.96Å; V644-V1007 HydrophobicContact CG2-CG1 4.21Å; V644-V1007 HydrophobicContact CG2-CG2 3.72Å
645C92Very high93.6Very high11 Ų118 Ų87%0.0745%0.052CC..  trans-67.5138.9178.4-170.50000110.3T641 A647 K665T641-C645 WeakPolarHBondContact O-CB 3.31Å; T641-C645 PolarHBondContact O-N 3.49Å; C645-A647 PolarHBondContact O-N 3.04Å; C645-A647 PolarHBondContact SG-N 3.24Å; C645-A647 VanDerWaalsContact SG-N 3.45Å; C645-K665 WeakPolarHBondContact O-CD 3.34Å; C645-K665 VanDerWaalsContact O-CE 3.24Å; C645-K665 WeakPolarHBondContact O-CE 3.48Å; C645-K665 PolarHBondContact O-NZ 3.42Å
646P89.4Confident93.3Very high44 Ų449.7 Ų9.729%0.2867%0.065SC..  trans-753.5172.632.4-37.3000113W879 L1006P646-W879 HydrophobicContact CB-CH2 3.79Å; P646-W879 HydrophobicContact CB-CZ2 4.23Å; P646-W879 HydrophobicContact CG-CH2 4.39Å; P646-W879 VanDerWaalsContact O-CH2 3.31Å; P646-W879 WeakPolarHBondContact O-CH2 3.16Å; P646-L1006 HydrophobicContact CG-CD1 3.64Å; P646-L1006 HydrophobicContact CG-CD2 3.68Å; P646-L1006 HydrophobicContact CG-CG 4.29Å
647A92Very high92.9Very high6 Ų611.9 Ų11.95%0.058%0.076CC..  trans59.559.3176.700000115C645 C649 E650 K665C645-A647 PolarHBondContact O-N 3.04Å; C645-A647 PolarHBondContact SG-N 3.24Å; C645-A647 VanDerWaalsContact SG-N 3.45Å; A647-C649 PolarHBondContact O-N 3.26Å; A647-C649 VanDerWaalsContact O-N 3.13Å; A647-E650 HydrophobicContact CB-CB 4.29Å; A647-E650 HydrophobicContact CB-CG 3.91Å; A647-E650 WeakPolarHBondContact O-CB 3.38Å; A647-E650 PolarHBondContact O-N 3.48Å; A647-K665 HydrophobicContact CB-CB 3.94Å; A647-K665 HydrophobicContact CB-CD 4.22Å
648P93.4Very high92.1Very high15 Ų1513.6 Ų13.610%0.0979%0.089CC..Hα-helixtrans-55.8-29173.425.8-34.6000113.4G605 E650 G651 A652 W879G605-P648 WeakPolarHBondContact O-CB 3.39Å; G605-P648 WeakPolarHBondContact O-CG 3.4Å; P648-E650 VanDerWaalsContact C-N 3.26Å; P648-E650 PolarHBondContact O-N 3.02Å; P648-G651 PolarHBondContact O-N 3.06Å; P648-G651 VanDerWaalsContact O-N 3.12Å; P648-A652 PolarHBondContact O-N 3.01Å; P648-W879 HydrophobicContact CB-CE3 4Å; P648-W879 HydrophobicContact CB-CZ3 4.1Å
649C95.1Very high91.5Very high10 Ų1016.5 Ų16.57%0.06810%0.102CC..Hα-helixtrans-56-34.2170.753.30000114.2C600 C606 I612 A647 C653 I664C600-C649 HydrophobicContact CB-CB 4.29Å; C600-C649 WeakPolarHBondContact CB-O 3.29Å; C606-C649 HydrophobicContact CB-CB 4.32Å; I612-C649 HydrophobicContact CD1-CB 3.71Å; A647-C649 PolarHBondContact O-N 3.26Å; A647-C649 VanDerWaalsContact O-N 3.13Å; C649-C653 PolarHBondContact O-N 3.45Å; C649-I664 HydrophobicContact CB-CD1 4.01Å; C649-I664 HydrophobicContact CB-CG2 4.24Å; C649-I664 VanDerWaalsContact SG-CG2 3.58Å
650E94Very high91.2Very high21 Ų2119.6 Ų19.610%0.09812%0.122CC..Hα-helixtrans-76-35.7176.3-63.1-170.9-171.200111.2R557 A647 P648 A652 C653 A661 V662 T663 I664 K665R557-E650 IonicContact CZ-OE2 3.51Å; R557-E650 IonicContact NH2-OE2 2.74Å; R557-E650 PolarHBondContact NH2-OE2 3.42Å; A647-E650 HydrophobicContact CB-CB 4.29Å; A647-E650 HydrophobicContact CB-CG 3.91Å; A647-E650 WeakPolarHBondContact O-CB 3.38Å; A647-E650 PolarHBondContact O-N 3.48Å; P648-E650 VanDerWaalsContact C-N 3.26Å; P648-E650 PolarHBondContact O-N 3.02Å; E650-A652 VanDerWaalsContact C-N 3.29Å; E650-A652 PolarHBondContact O-N 3.43Å; E650-C653 WeakPolarHBondContact O-CB 3.38Å; E650-C653 PolarHBondContact O-N 3.19Å; E650-A661 HydrophobicContact CB-CB 4.02Å; E650-A661 VanDerWaalsContact O-CB 3.26Å; E650-A661 WeakPolarHBondContact O-CB 2.97Å; E650-V662 WeakPolarHBondContact CG-O 3.44Å; E650-T663 VanDerWaalsContact OE1-C 3.25Å; E650-T663 WeakPolarHBondContact OE1-CA 3.36Å; E650-I664 HydrophobicContact CG-CB 3.87Å; E650-I664 HydrophobicContact CG-CD1 4.1Å; E650-I664 HydrophobicContact CG-CG1 4.15Å; E650-I664 PolarHBondContact OE1-N 2.94Å; E650-K665 PolarHBondContact OE1-N 3.2Å
651G91.2Very high91Very high9 Ų920 Ų209%0.09313%0.125CC..Hα-helixtrans-66.1-29.3173.600000114P648 R870P648-G651 PolarHBondContact O-N 3.06Å; P648-G651 VanDerWaalsContact O-N 3.12Å; G651-R870 PolarHBondContact O-NH2 3Å; G651-R870 VanDerWaalsContact O-NH2 3.09Å
652A93.8Very high90.9Very high0 Ų020 Ų200%013%0.126CC..THydrogen-bonded Turntrans-94.2-0.1176.600000113.9F599 P648 E650 C654 P877F599-A652 VanDerWaalsContact CB-O 3.25Å; F599-A652 WeakPolarHBondContact CB-O 3.46Å; P648-A652 PolarHBondContact O-N 3.01Å; E650-A652 VanDerWaalsContact C-N 3.29Å; E650-A652 PolarHBondContact O-N 3.43Å; A652-C654 PolarHBondContact O-N 2.82Å; A652-P877 HydrophobicContact CB-CB 4.14Å
653C93.9Very high90.9Very high12 Ų1220.1 Ų20.18%0.08113%0.126CC..  trans-62.6133.2179.8-176.30000110.5C649 E650 L655 A656 A661 W876C649-C653 PolarHBondContact O-N 3.45Å; E650-C653 WeakPolarHBondContact O-CB 3.38Å; E650-C653 PolarHBondContact O-N 3.19Å; C653-L655 PolarHBondContact O-N 2.95Å; C653-A656 HydrophobicContact CB-CB 4.19Å; C653-A656 WeakPolarHBondContact O-CB 3.29Å; C653-A656 PolarHBondContact O-N 3.48Å; C653-A661 HydrophobicContact CB-CB 3.95Å; C653-W876 PolarHBondContact O-NE1 2.98Å; C653-W876 VanDerWaalsContact O-NE1 3.08Å
654C90.7Very high91Very high3 Ų320.2 Ų20.22%0.0213%0.127CC..G310 helixtrans-61.7-28.9178-54.50000112.9M593 A652 A656 I657 W876M593-C654 HydrophobicContact CE-CB 4.01Å; A652-C654 PolarHBondContact O-N 2.82Å; C654-A656 PolarHBondContact O-N 3.4Å; C654-I657 PolarHBondContact O-N 2.97Å; C654-W876 HydrophobicContact CB-CZ2 4.15Å
655L89.8Confident91Very high1 Ų120.7 Ų20.71%0.00513%0.127CC..G310 helixtrans-64-33.2175.3-170.860.9000111F552 R591 M593 C653 I657 S658 E659 V662F552-L655 HydrophobicContact CB-CD1 3.74Å; F552-L655 HydrophobicContact CB-CD2 3.64Å; F552-L655 HydrophobicContact CB-CG 4.37Å; F552-L655 HydrophobicContact CD2-CD1 3.61Å; F552-L655 HydrophobicContact CE2-CD1 4.46Å; F552-L655 HydrophobicContact CG-CD1 3.86Å; R591-L655 HydrophobicContact CB-CD2 4.48Å; M593-L655 HydrophobicContact CE-CB 3.83Å; M593-L655 HydrophobicContact CE-CD1 4.1Å; M593-L655 HydrophobicContact SD-CD1 3.88Å; C653-L655 PolarHBondContact O-N 2.95Å; L655-I657 PolarHBondContact O-N 3.46Å; L655-S658 PolarHBondContact O-N 3Å; L655-E659 CarbonylContact C-O 3.46Å; L655-E659 VanDerWaalsContact C-O 3.25Å; L655-E659 HydrophobicContact CD1-CB 3.57Å; L655-E659 HydrophobicContact CD1-CG 4.13Å; L655-E659 HydrophobicContact CG-CB 3.75Å; L655-E659 CarbonylContact O-C 3.49Å; L655-E659 WeakPolarHBondContact O-CA 3.32Å; L655-E659 PolarHBondContact O-N 3.35Å; L655-V662 HydrophobicContact CD2-CG2 4.32Å
656A89.1Confident91Very high35 Ų3520.6 Ų20.629%0.28913%0.126SC..G310 helixtrans-61.7-7.3-178.100000115.1C653 C654 E659 A661C653-A656 HydrophobicContact CB-CB 4.19Å; C653-A656 WeakPolarHBondContact O-CB 3.29Å; C653-A656 PolarHBondContact O-N 3.48Å; C654-A656 PolarHBondContact O-N 3.4Å; A656-E659 WeakPolarHBondContact CA-O 3.09Å; A656-E659 PolarHBondContact N-O 3.31Å; A656-A661 HydrophobicContact CB-CB 4.05Å
657I85.6Confident91.2Very high60 Ų6018.5 Ų18.531%0.30811%0.113SC..G310 helixtrans-73.3-47.2176.3-66.7163.3000110.5T56 V68 C654 L655 W876T56-I657 HydrophobicContact CG2-CD1 3.19Å; V68-I657 HydrophobicContact CG1-CG2 4.12Å; C654-I657 PolarHBondContact O-N 2.97Å; L655-I657 PolarHBondContact O-N 3.46Å; I657-W876 HydrophobicContact CD1-CD2 3.55Å; I657-W876 HydrophobicContact CD1-CE3 3.68Å; I657-W876 HydrophobicContact CD1-CG 4.16Å; I657-W876 HydrophobicContact CD1-CH2 3.87Å; I657-W876 HydrophobicContact CD1-CZ2 3.79Å; I657-W876 HydrophobicContact CD1-CZ3 3.83Å; I657-W876 HydrophobicContact CG1-CB 4.35Å; I657-W876 HydrophobicContact CG1-CD2 3.59Å; I657-W876 HydrophobicContact CG1-CE3 4.17Å; I657-W876 HydrophobicContact CG1-CG 3.65Å; I657-W876 HydrophobicContact CG1-CZ2 4.36Å
658S80.2Confident91.4Very high39 Ų3918.8 Ų18.827%0.27311%0.113SC..THydrogen-bonded Turntrans-119.7-13.8-174.459.80000113.7P67 L655P67-S658 WeakPolarHBondContact O-CB 3.13Å; P67-S658 PolarHBondContact O-OG 2.66Å; L655-S658 PolarHBondContact O-N 3Å
659E84.5Confident91.4Very high61 Ų6118.2 Ų18.229%0.28511%0.109SC..SBendtrans-142.7158.2-175.9-76.5-64.5166.900111.1K80 L655 A656 A661K80-E659 WeakPolarHBondContact CE-OE1 3.47Å; K80-E659 VanDerWaalsContact NZ-CG 3.27Å; K80-E659 IonicContact NZ-OE1 3.08Å; K80-E659 PolarHBondContact NZ-OE1 2.87Å; L655-E659 CarbonylContact C-O 3.46Å; L655-E659 VanDerWaalsContact C-O 3.25Å; L655-E659 HydrophobicContact CD1-CB 3.57Å; L655-E659 HydrophobicContact CD1-CG 4.13Å; L655-E659 HydrophobicContact CG-CB 3.75Å; L655-E659 CarbonylContact O-C 3.49Å; L655-E659 WeakPolarHBondContact O-CA 3.32Å; L655-E659 PolarHBondContact O-N 3.35Å; A656-E659 WeakPolarHBondContact CA-O 3.09Å; A656-E659 PolarHBondContact N-O 3.31Å; E659-A661 PolarHBondContact O-N 2.84Å
660P88.6Confident91.4Very high65 Ų6517.8 Ų17.842%0.42211%0.107SC..PPolyproline II helixtrans-60.8136.2176.3-24.134.9000112.3R557 R591R557-P660 HydrophobicContact CB-CB 3.74Å; R557-P660 HydrophobicContact CB-CG 4.49Å; R557-P660 HydrophobicContact CG-CB 4.21Å; R591-P660 PolarHBondContact NH1-O 3.37Å; R591-P660 PolarHBondContact NH2-O 2.82Å
661A92.6Very high91.5Very high7 Ų716.9 Ų16.96%0.05810%0.102CC..PPolyproline II helixtrans-54.5162.7-176.300000114.7R557 R591 E650 C653 A656 E659R557-A661 WeakPolarHBondContact CD-O 3.5Å; R557-A661 PolarHBondContact NE-O 2.84Å; R557-A661 VanDerWaalsContact NE-O 3.11Å; R591-A661 PolarHBondContact NH1-O 2.81Å; E650-A661 HydrophobicContact CB-CB 4.02Å; E650-A661 VanDerWaalsContact O-CB 3.26Å; E650-A661 WeakPolarHBondContact O-CB 2.97Å; C653-A661 HydrophobicContact CB-CB 3.95Å; A656-A661 HydrophobicContact CB-CB 4.05Å; E659-A661 PolarHBondContact O-N 2.84Å
662V94.2Very high91.7Very high3 Ų316.5 Ų16.52%0.01810%0.098CC..PPolyproline II helixtrans-65.7144167.1-1770000109.2R591 C592 E650 L655 I664 I667R591-V662 HydrophobicContact CB-CG2 4.35Å; C592-V662 HydrophobicContact CB-CG1 4.4Å; C592-V662 HydrophobicContact CB-CG2 4.14Å; E650-V662 WeakPolarHBondContact CG-O 3.44Å; L655-V662 HydrophobicContact CD2-CG2 4.32Å; V662-I664 HydrophobicContact CB-CG1 4.09Å; V662-I664 HydrophobicContact CG1-CG1 4.2Å; V662-I664 PolarHBondContact O-N 3.24Å; V662-I667 HydrophobicContact CG1-CD1 4.05Å
663T93Very high91.7Very high4 Ų416.9 Ų16.93%0.02510%0.1CC..  trans-79.457.9178.352.60000112.3R557 Q558 Q588 E650 K665 N666 I667R557-T663 HydrophobicContact CG-CG2 4.02Å; Q558-T663 VanDerWaalsContact O-CG2 3.28Å; Q558-T663 WeakPolarHBondContact O-CG2 3.28Å; Q588-T663 WeakPolarHBondContact CB-OG1 3.28Å; E650-T663 VanDerWaalsContact OE1-C 3.25Å; E650-T663 WeakPolarHBondContact OE1-CA 3.36Å; T663-K665 VanDerWaalsContact C-N 3.27Å; T663-K665 PolarHBondContact O-N 3.22Å; T663-N666 PolarHBondContact O-N 3.1Å; T663-N666 VanDerWaalsContact O-N 3.14Å; T663-I667 WeakPolarHBondContact O-CG1 3.41Å; T663-I667 PolarHBondContact O-N 3.45Å; T663-I667 VanDerWaalsContact O-N 3.1Å
664I95.1Very high91.6Very high3 Ų319.3 Ų19.32%0.01511%0.108CC..Hα-helixtrans-52.1-44.6-175.2-62.5168.3000111.2C600 I612 W615 C649 E650 V662 N666 I667 E668C600-I664 HydrophobicContact CB-CD1 3.95Å; I612-I664 HydrophobicContact CD1-CG2 4.02Å; I612-I664 HydrophobicContact CG1-CG2 3.96Å; I612-I664 HydrophobicContact CG2-CB 4.49Å; I612-I664 HydrophobicContact CG2-CD1 3.95Å; I612-I664 HydrophobicContact CG2-CG1 3.9Å; I612-I664 HydrophobicContact CG2-CG2 3.78Å; W615-I664 HydrophobicContact CH2-CB 4.47Å; W615-I664 HydrophobicContact CH2-CG2 3.52Å; W615-I664 HydrophobicContact CZ2-CG2 4.06Å; C649-I664 HydrophobicContact CB-CD1 4.01Å; C649-I664 HydrophobicContact CB-CG2 4.24Å; C649-I664 VanDerWaalsContact SG-CG2 3.58Å; E650-I664 HydrophobicContact CG-CB 3.87Å; E650-I664 HydrophobicContact CG-CD1 4.1Å; E650-I664 HydrophobicContact CG-CG1 4.15Å; E650-I664 PolarHBondContact OE1-N 2.94Å; V662-I664 HydrophobicContact CB-CG1 4.09Å; V662-I664 HydrophobicContact CG1-CG1 4.2Å; V662-I664 PolarHBondContact O-N 3.24Å; I664-N666 PolarHBondContact O-N 3.2Å; I664-I667 PolarHBondContact O-N 3.36Å; I664-E668 WeakPolarHBondContact O-CB 3.37Å; I664-E668 PolarHBondContact O-N 2.95Å
665K93.3Very high91.9Very high25 Ų2519.2 Ų19.211%0.10911%0.107CC..Hα-helixtrans-62.8-42.8-178.7179.7-178.6175.5178.10112.3Y576 G642 R643 C645 A647 E650 T663 E668 C669Y576-K665 WeakPolarHBondContact OH-CE 3.47Å; Y576-K665 PolarHBondContact OH-NZ 2.97Å; G642-K665 WeakPolarHBondContact O-CE 3.27Å; G642-K665 VanDerWaalsContact O-CG 3.24Å; G642-K665 WeakPolarHBondContact O-CG 3.49Å; R643-K665 VanDerWaalsContact O-CE 3.24Å; R643-K665 WeakPolarHBondContact O-CE 3.44Å; R643-K665 PolarHBondContact O-NZ 3.25Å; C645-K665 WeakPolarHBondContact O-CD 3.34Å; C645-K665 VanDerWaalsContact O-CE 3.24Å; C645-K665 WeakPolarHBondContact O-CE 3.48Å; C645-K665 PolarHBondContact O-NZ 3.42Å; A647-K665 HydrophobicContact CB-CB 3.94Å; A647-K665 HydrophobicContact CB-CD 4.22Å; E650-K665 PolarHBondContact OE1-N 3.2Å; T663-K665 VanDerWaalsContact C-N 3.27Å; T663-K665 PolarHBondContact O-N 3.22Å; K665-E668 PolarHBondContact O-N 2.87Å; K665-C669 WeakPolarHBondContact O-CB 3.43Å; K665-C669 PolarHBondContact O-N 2.81Å
666N91.6Very high92.1Very high10 Ų1020.7 Ų20.75%0.05311%0.114CC..Hα-helixtrans-69.2-37.2-179.9-68.3-3.3000111.5I581 T663 I664 S670I581-N666 HydrophobicContact CG2-CB 4Å; T663-N666 PolarHBondContact O-N 3.1Å; T663-N666 VanDerWaalsContact O-N 3.14Å; I664-N666 PolarHBondContact O-N 3.2Å; N666-S670 VanDerWaalsContact O-CB 3.3Å; N666-S670 WeakPolarHBondContact O-CB 3.49Å; N666-S670 PolarHBondContact O-N 2.85Å; N666-S670 PolarHBondContact O-OG 3.14Å
667I94.3Very high92.2Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-67.4-45176.7-60.3166.2000110.4L585 A589 W615 N616 V619 V662 T663 I664 C669 S670 I671L585-I667 HydrophobicContact CD1-CB 4.37Å; L585-I667 HydrophobicContact CD1-CG1 3.72Å; L585-I667 HydrophobicContact CG-CG1 4.1Å; A589-I667 HydrophobicContact CB-CD1 4.1Å; W615-I667 HydrophobicContact CE3-CG2 3.8Å; W615-I667 HydrophobicContact CZ3-CB 3.79Å; W615-I667 HydrophobicContact CZ3-CG2 3.48Å; W615-I667 VanDerWaalsContact CZ3-CG2 3.48Å; N616-I667 WeakPolarHBondContact OD1-CD1 3.25Å; N616-I667 WeakPolarHBondContact OD1-CG2 3.34Å; V619-I667 HydrophobicContact CB-CG2 4.32Å; V619-I667 HydrophobicContact CG1-CG2 4.29Å; V619-I667 HydrophobicContact CG2-CG2 3.94Å; V662-I667 HydrophobicContact CG1-CD1 4.05Å; T663-I667 WeakPolarHBondContact O-CG1 3.41Å; T663-I667 PolarHBondContact O-N 3.45Å; T663-I667 VanDerWaalsContact O-N 3.1Å; I664-I667 PolarHBondContact O-N 3.36Å; I667-C669 PolarHBondContact O-N 3.42Å; I667-S670 PolarHBondContact O-N 2.84Å; I667-I671 HydrophobicContact CG2-CD1 4Å; I667-I671 HydrophobicContact CG2-CG1 4.44Å; I667-I671 VanDerWaalsContact O-CG1 3.28Å; I667-I671 WeakPolarHBondContact O-CG1 3.43Å; I667-I671 PolarHBondContact O-N 3.39Å
668E95.7Very high92.7Very high11 Ų1126.4 Ų26.45%0.05113%0.134CC..Hα-helixtrans-54.2-51.9172.9174.9176.9-158.400111.5W615 L631 N635 P638 T641 I664 K665 S670 I671 I672W615-E668 HydrophobicContact CH2-CB 4.2Å; L631-E668 HydrophobicContact CD1-CG 4.15Å; L631-E668 HydrophobicContact CD2-CG 4.18Å; N635-E668 PolarHBondContact ND2-OE1 3.48Å; P638-E668 HydrophobicContact CB-CG 3.84Å; T641-E668 PolarHBondContact OG1-OE1 3.11Å; I664-E668 WeakPolarHBondContact O-CB 3.37Å; I664-E668 PolarHBondContact O-N 2.95Å; K665-E668 PolarHBondContact O-N 2.87Å; E668-S670 VanDerWaalsContact C-N 3.3Å; E668-S670 PolarHBondContact O-N 3.18Å; E668-I671 PolarHBondContact O-N 3.3Å; E668-I672 PolarHBondContact O-N 3.28Å
669C94Very high93.4Very high4 Ų426.3 Ų26.33%0.02714%0.14CC..Hα-helixtrans-62.7-36.8179.8-163.50000112.4K665 I667 I672 E673K665-C669 WeakPolarHBondContact O-CB 3.43Å; K665-C669 PolarHBondContact O-N 2.81Å; I667-C669 PolarHBondContact O-N 3.42Å; C669-I672 VanDerWaalsContact O-CG2 3.24Å; C669-I672 WeakPolarHBondContact O-CG2 3.18Å; C669-E673 WeakPolarHBondContact O-CG 3.46Å; C669-E673 PolarHBondContact O-N 3.27Å; C669-E673 VanDerWaalsContact O-N 3.13Å
670S93.6Very high94Very high1 Ų127.7 Ų27.71%0.00714%0.143CC..Hα-helixtrans-70.8-38.5-179.7-61.50000112.4N666 I667 E668 Y674N666-S670 VanDerWaalsContact O-CB 3.3Å; N666-S670 WeakPolarHBondContact O-CB 3.49Å; N666-S670 PolarHBondContact O-N 2.85Å; N666-S670 PolarHBondContact O-OG 3.14Å; I667-S670 PolarHBondContact O-N 2.84Å; E668-S670 VanDerWaalsContact C-N 3.3Å; E668-S670 PolarHBondContact O-N 3.18Å; S670-Y674 WeakPolarHBondContact O-CB 3.42Å; S670-Y674 PolarHBondContact O-N 3.48Å
671I95.6Very high94.3Very high2 Ų225.8 Ų25.81%0.0113%0.13CC..Hα-helixtrans-58.5-50.4177.1-69.3161.9000110.1W615 V619 W624 A627 L628 L631 I667 E668 A675W615-I671 HydrophobicContact CB-CD1 4.15Å; W615-I671 HydrophobicContact CD2-CD1 4.12Å; W615-I671 HydrophobicContact CE3-CD1 3.71Å; W615-I671 HydrophobicContact CG-CD1 4.36Å; W615-I671 HydrophobicContact CZ3-CD1 4.36Å; V619-I671 HydrophobicContact CG2-CD1 3.74Å; V619-I671 HydrophobicContact CG2-CG1 3.61Å; W624-I671 HydrophobicContact CE3-CG1 4.5Å; A627-I671 HydrophobicContact CB-CD1 4.2Å; A627-I671 HydrophobicContact CB-CG1 4.32Å; A627-I671 HydrophobicContact CB-CG2 4.42Å; L628-I671 HydrophobicContact CB-CG2 4.03Å; L628-I671 HydrophobicContact CD1-CG2 4.23Å; L631-I671 HydrophobicContact CD2-CB 4.01Å; L631-I671 HydrophobicContact CD2-CD1 4.3Å; L631-I671 HydrophobicContact CD2-CG2 3.82Å; I667-I671 HydrophobicContact CG2-CD1 4Å; I667-I671 HydrophobicContact CG2-CG1 4.44Å; I667-I671 VanDerWaalsContact O-CG1 3.28Å; I667-I671 WeakPolarHBondContact O-CG1 3.43Å; I667-I671 PolarHBondContact O-N 3.39Å; E668-I671 PolarHBondContact O-N 3.3Å; I671-A675 WeakPolarHBondContact O-CB 3.39Å; I671-A675 PolarHBondContact O-N 2.85Å
672I96Very high94.4Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-70.5-41.5-176-173.562.6000112.5L628 P638 E639 E668 C669 Y674 A675 F676 V681L628-I672 HydrophobicContact CD1-CD1 3.98Å; P638-I672 HydrophobicContact CB-CB 4.06Å; P638-I672 HydrophobicContact CB-CG1 4.45Å; P638-I672 HydrophobicContact CB-CG2 4.12Å; P638-I672 HydrophobicContact CG-CB 3.81Å; P638-I672 HydrophobicContact CG-CD1 3.86Å; P638-I672 HydrophobicContact CG-CG1 3.77Å; P638-I672 HydrophobicContact CG-CG2 4.34Å; E639-I672 HydrophobicContact CB-CG1 4.09Å; E639-I672 HydrophobicContact CB-CG2 4.05Å; E668-I672 PolarHBondContact O-N 3.28Å; C669-I672 VanDerWaalsContact O-CG2 3.24Å; C669-I672 WeakPolarHBondContact O-CG2 3.18Å; I672-Y674 VanDerWaalsContact C-N 3.35Å; I672-A675 WeakPolarHBondContact O-CB 3.34Å; I672-A675 PolarHBondContact O-N 2.81Å; I672-F676 HydrophobicContact CD1-CD2 3.99Å; I672-F676 HydrophobicContact CD1-CE2 3.64Å; I672-F676 HydrophobicContact CG1-CD2 3.82Å; I672-F676 HydrophobicContact CG1-CE2 3.6Å; I672-F676 VanDerWaalsContact O-CD2 3.26Å; I672-F676 WeakPolarHBondContact O-CD2 3.33Å; I672-F676 PolarHBondContact O-N 2.85Å; I672-V681 HydrophobicContact CD1-CG2 4Å
673E93.6Very high94.5Very high9 Ų935.3 Ų35.34%0.04218%0.176CC..Hα-helixtrans-67.7-37.6177.1-67.2-54.5147.100111.7R582 R643 C669 A675 F676 D677 R746R582-E673 VanDerWaalsContact NH2-CB 3.34Å; R643-E673 IonicContact CZ-OE1 2.71Å; R643-E673 VanDerWaalsContact CZ-OE1 3.24Å; R643-E673 IonicContact NH1-OE1 2.83Å; R643-E673 PolarHBondContact NH1-OE1 2.78Å; R643-E673 IonicContact NH2-OE1 3.63Å; R643-E673 PolarHBondContact NH2-OE1 3.45Å; R643-E673 IonicContact NH2-OE2 3.84Å; C669-E673 WeakPolarHBondContact O-CG 3.46Å; C669-E673 PolarHBondContact O-N 3.27Å; C669-E673 VanDerWaalsContact O-N 3.13Å; E673-A675 VanDerWaalsContact C-N 3.27Å; E673-A675 PolarHBondContact O-N 2.88Å; E673-F676 PolarHBondContact O-N 3.34Å; E673-D677 WeakPolarHBondContact O-CB 3.39Å; E673-D677 PolarHBondContact O-N 3.43Å; E673-R746 IonicContact OE1-CZ 3.52Å; E673-R746 IonicContact OE1-NH2 2.91Å; E673-R746 PolarHBondContact OE1-NH2 3.46Å; E673-R746 IonicContact OE2-CZ 3.77Å; E673-R746 IonicContact OE2-NH1 3.43Å; E673-R746 PolarHBondContact OE2-NH1 3.38Å; E673-R746 IonicContact OE2-NH2 3.89Å; E673-R746 PolarHBondContact OE2-NH2 3.35Å
674Y92.7Very high94.5Very high63 Ų6341.4 Ų41.425%0.24720%0.204CC..Hα-helixtrans-60.8-39.1172.8-171-91.3000111.6W624 S670 I672 D677 K678 W680W624-Y674 HydrophobicContact CB-CD1 3.83Å; W624-Y674 HydrophobicContact CB-CE1 3.78Å; W624-Y674 HydrophobicContact CD2-CD1 4.01Å; W624-Y674 HydrophobicContact CD2-CE1 4.21Å; W624-Y674 HydrophobicContact CD2-CG 4.22Å; W624-Y674 HydrophobicContact CE3-CD1 4.05Å; W624-Y674 AromaticContact CE3-CG 3.98Å; W624-Y674 HydrophobicContact CE3-CG 3.98Å; W624-Y674 AromaticContact CG-CD1 3.94Å; W624-Y674 HydrophobicContact CG-CD1 3.94Å; W624-Y674 AromaticContact CG-CE1 3.8Å; W624-Y674 HydrophobicContact CG-CE1 3.8Å; W624-Y674 HydrophobicContact CZ3-CG 4.34Å; S670-Y674 WeakPolarHBondContact O-CB 3.42Å; S670-Y674 PolarHBondContact O-N 3.48Å; I672-Y674 VanDerWaalsContact C-N 3.35Å; Y674-D677 PolarHBondContact O-N 3.47Å; Y674-K678 HydrophobicContact CD1-CG 3.99Å; Y674-K678 HydrophobicContact CE1-CD 4.46Å; Y674-K678 HydrophobicContact CE1-CG 3.63Å; Y674-K678 WeakPolarHBondContact O-CB 3.39Å; Y674-K678 WeakPolarHBondContact O-CG 3.37Å; Y674-K678 PolarHBondContact O-N 3.44Å; Y674-K678 WeakPolarHBondContact OH-CE 3.41Å; Y674-W680 HydrophobicContact CD1-CH2 4Å; Y674-W680 AromaticContact CD1-CZ3 3.79Å; Y674-W680 HydrophobicContact CD1-CZ3 3.79Å; Y674-W680 AromaticContact CE1-CH2 3.56Å; Y674-W680 HydrophobicContact CE1-CH2 3.56Å; Y674-W680 HydrophobicContact CE1-CZ2 4.32Å; Y674-W680 AromaticContact CE1-CZ3 3.86Å; Y674-W680 HydrophobicContact CE1-CZ3 3.86Å
675A95.8Very high94.5Very high0 Ų045.7 Ų45.70%023%0.23CC..Hα-helixtrans-66.1-39.6176.700000113.2L628 I671 I672 E673 K678 G679 W680 V681L628-A675 HydrophobicContact CD1-CB 3.62Å; L628-A675 HydrophobicContact CD2-CB 3.45Å; L628-A675 VanDerWaalsContact CD2-CB 3.45Å; L628-A675 HydrophobicContact CG-CB 4.04Å; I671-A675 WeakPolarHBondContact O-CB 3.39Å; I671-A675 PolarHBondContact O-N 2.85Å; I672-A675 WeakPolarHBondContact O-CB 3.34Å; I672-A675 PolarHBondContact O-N 2.81Å; E673-A675 VanDerWaalsContact C-N 3.27Å; E673-A675 PolarHBondContact O-N 2.88Å; A675-K678 PolarHBondContact O-N 2.81Å; A675-G679 PolarHBondContact O-N 2.97Å; A675-W680 HydrophobicContact CB-CB 4.34Å; A675-W680 HydrophobicContact CB-CE3 4.07Å; A675-W680 PolarHBondContact O-N 3.22Å; A675-V681 HydrophobicContact CB-CG2 3.91Å
676F94.9Very high94.6Very high33 Ų3345.4 Ų45.415%0.14523%0.231CC..Hα-helixtrans-66-44.9172.4-81.4-70.1000111.5I672 E673 K678 G679 V681 R746I672-F676 HydrophobicContact CD1-CD2 3.99Å; I672-F676 HydrophobicContact CD1-CE2 3.64Å; I672-F676 HydrophobicContact CG1-CD2 3.82Å; I672-F676 HydrophobicContact CG1-CE2 3.6Å; I672-F676 VanDerWaalsContact O-CD2 3.26Å; I672-F676 WeakPolarHBondContact O-CD2 3.33Å; I672-F676 PolarHBondContact O-N 2.85Å; E673-F676 PolarHBondContact O-N 3.34Å; F676-K678 PolarHBondContact O-N 3.49Å; F676-G679 PolarHBondContact O-N 3.25Å; F676-V681 HydrophobicContact CD1-CB 3.89Å; F676-V681 HydrophobicContact CD1-CG1 4.35Å; F676-V681 HydrophobicContact CD1-CG2 4.2Å; F676-V681 HydrophobicContact CD2-CG2 4.31Å; F676-V681 HydrophobicContact CE1-CB 3.69Å; F676-V681 HydrophobicContact CE1-CG1 3.62Å; F676-V681 HydrophobicContact CE1-CG2 4.16Å; F676-V681 HydrophobicContact CE2-CG2 4.28Å; F676-V681 HydrophobicContact CG-CB 4.47Å; F676-V681 HydrophobicContact CG-CG2 4.28Å; F676-V681 HydrophobicContact CZ-CB 4.1Å; F676-V681 HydrophobicContact CZ-CG1 3.77Å; F676-V681 HydrophobicContact CZ-CG2 4.2Å; F676-R746 HydrophobicContact CD1-CG 4.36Å; F676-R746 HydrophobicContact CE1-CG 3.94Å; F676-R746 VanDerWaalsContact CE2-NH2 3.34Å; F676-R746 VanDerWaalsContact CG-CZ 3.41Å; F676-R746 HydrophobicContact CZ-CG 4.43Å
677D92.1Very high94.7Very high100 Ų10049.2 Ų49.254%0.53526%0.264SS..Hα-helixtrans-59.6-32.2177.1-68.9-13.7000112.2R582 E673 Y674R582-D677 IonicContact CZ-OD2 3.75Å; R582-D677 VanDerWaalsContact CZ-OD2 3.24Å; R582-D677 IonicContact NH1-OD2 3.48Å; R582-D677 PolarHBondContact NH1-OD2 2.9Å; R582-D677 IonicContact NH2-OD2 2.63Å; R582-D677 PolarHBondContact NH2-OD2 3.11Å; E673-D677 WeakPolarHBondContact O-CB 3.39Å; E673-D677 PolarHBondContact O-N 3.43Å; Y674-D677 PolarHBondContact O-N 3.47Å
678K94.2Very high94.7Very high114 Ų11457.8 Ų57.850%0.49630%0.301SS..THydrogen-bonded Turntrans-88.6-1176.6-67.9-61.1-174.4-174.30114.6Y674 A675 F676 W680Y674-K678 HydrophobicContact CD1-CG 3.99Å; Y674-K678 HydrophobicContact CE1-CD 4.46Å; Y674-K678 HydrophobicContact CE1-CG 3.63Å; Y674-K678 WeakPolarHBondContact O-CB 3.39Å; Y674-K678 WeakPolarHBondContact O-CG 3.37Å; Y674-K678 PolarHBondContact O-N 3.44Å; Y674-K678 WeakPolarHBondContact OH-CE 3.41Å; A675-K678 PolarHBondContact O-N 2.81Å; F676-K678 PolarHBondContact O-N 3.49Å; K678-W680 VanDerWaalsContact C-N 3.27Å; K678-W680 HydrophobicContact CB-CD2 3.73Å; K678-W680 HydrophobicContact CB-CE3 4.34Å; K678-W680 HydrophobicContact CB-CG 3.98Å; K678-W680 HydrophobicContact CB-CZ2 3.97Å; K678-W680 HydrophobicContact CG-CD2 4.49Å; K678-W680 HydrophobicContact CG-CH2 4.34Å; K678-W680 HydrophobicContact CG-CZ2 3.97Å; K678-W680 PolarHBondContact O-N 3.34Å
679G95.4Very high94.7Very high38 Ų3862 Ų6239%0.39232%0.317SS..THydrogen-bonded Turntrans65.127.4-178.100000114.1A675 F676 K682A675-G679 PolarHBondContact O-N 2.97Å; F676-G679 PolarHBondContact O-N 3.25Å; G679-K682 WeakPolarHBondContact O-CE 3.34Å
680W96.6Very high94.8Very high90 Ų9064 Ų6434%0.34133%0.329SS..  trans-82.3-26.5179.5-64.1-16000113.3W624 K625 L628 Y674 A675 K678 K682W624-W680 HydrophobicContact CB-CH2 3.86Å; W624-W680 HydrophobicContact CB-CZ3 3.74Å; K625-W680 HydrophobicContact CB-CE3 4.34Å; K625-W680 HydrophobicContact CB-CH2 4Å; K625-W680 HydrophobicContact CB-CZ2 4.42Å; K625-W680 HydrophobicContact CB-CZ3 3.98Å; L628-W680 HydrophobicContact CD2-CB 4.1Å; L628-W680 HydrophobicContact CD2-CE3 4.31Å; Y674-W680 HydrophobicContact CD1-CH2 4Å; Y674-W680 AromaticContact CD1-CZ3 3.79Å; Y674-W680 HydrophobicContact CD1-CZ3 3.79Å; Y674-W680 AromaticContact CE1-CH2 3.56Å; Y674-W680 HydrophobicContact CE1-CH2 3.56Å; Y674-W680 HydrophobicContact CE1-CZ2 4.32Å; Y674-W680 AromaticContact CE1-CZ3 3.86Å; Y674-W680 HydrophobicContact CE1-CZ3 3.86Å; A675-W680 HydrophobicContact CB-CB 4.34Å; A675-W680 HydrophobicContact CB-CE3 4.07Å; A675-W680 PolarHBondContact O-N 3.22Å; K678-W680 VanDerWaalsContact C-N 3.27Å; K678-W680 HydrophobicContact CB-CD2 3.73Å; K678-W680 HydrophobicContact CB-CE3 4.34Å; K678-W680 HydrophobicContact CB-CG 3.98Å; K678-W680 HydrophobicContact CB-CZ2 3.97Å; K678-W680 HydrophobicContact CG-CD2 4.49Å; K678-W680 HydrophobicContact CG-CH2 4.34Å; K678-W680 HydrophobicContact CG-CZ2 3.97Å; K678-W680 PolarHBondContact O-N 3.34Å; W680-K682 PolarHBondContact O-N 2.96Å
681V96Very high94.9Very high25 Ų2566.8 Ų66.815%0.15236%0.358CS..  trans-83.2110.8174.2-174.40000108.2I672 A675 F676 L750I672-V681 HydrophobicContact CD1-CG2 4Å; A675-V681 HydrophobicContact CB-CG2 3.91Å; F676-V681 HydrophobicContact CD1-CB 3.89Å; F676-V681 HydrophobicContact CD1-CG1 4.35Å; F676-V681 HydrophobicContact CD1-CG2 4.2Å; F676-V681 HydrophobicContact CD2-CG2 4.31Å; F676-V681 HydrophobicContact CE1-CB 3.69Å; F676-V681 HydrophobicContact CE1-CG1 3.62Å; F676-V681 HydrophobicContact CE1-CG2 4.16Å; F676-V681 HydrophobicContact CE2-CG2 4.28Å; F676-V681 HydrophobicContact CG-CB 4.47Å; F676-V681 HydrophobicContact CG-CG2 4.28Å; F676-V681 HydrophobicContact CZ-CB 4.1Å; F676-V681 HydrophobicContact CZ-CG1 3.77Å; F676-V681 HydrophobicContact CZ-CG2 4.2Å; V681-L750 HydrophobicContact CG1-CD1 4.33Å; V681-L750 HydrophobicContact CG1-CD2 3.8Å
682K95.1Very high95Very high146 Ų14670 Ų7064%0.63537%0.372SS*.  trans-129.5155.3-179.1-62.7-176.2180-174.80109.9G679 W680 E684G679-K682 WeakPolarHBondContact O-CE 3.34Å; W680-K682 PolarHBondContact O-N 2.96Å; K682-E684 PolarHBondContact O-N 2.87Å
683P96Very high95.1Very high64 Ų6476.1 Ų76.142%0.41640%0.395SS..  trans-58.9127.9174.8-22.632.5000111.5L750 A753 E754P683-L750 HydrophobicContact CG-CD1 3.86Å; P683-A753 HydrophobicContact CB-CB 3.77Å; P683-A753 HydrophobicContact CG-CB 3.54Å; P683-E754 HydrophobicContact CB-CG 4.01Å
684E93.2Very high95.4Very high131 Ų13175.7 Ų75.761%0.61239%0.393SS*.  trans-105.784.3173.8-67.7-176.3-179.800110.6K682 E754K682-E684 PolarHBondContact O-N 2.87Å; E684-E754 PolarHBondContact N-OE1 3.01Å
685V95.9Very high95.6Very high94 Ų9472.7 Ų72.757%0.5738%0.381SS*.  trans-67.5132.1178.4-175.50000110.2A687 A753V685-A687 PolarHBondContact O-N 3.23Å; V685-A753 WeakPolarHBondContact CG2-O 3.35Å
686P94.3Very high95.7Very high19 Ų1972.7 Ų72.712%0.12338%0.381CS..  trans-61.1128.1177.3-21.532.2000111.7F688 N711 E754P686-F688 PolarHBondContact O-N 2.88Å; P686-N711 WeakPolarHBondContact CG-O 3.48Å; P686-E754 WeakPolarHBondContact CD-O 3.47Å
687A92.9Very high95.8Very high90 Ų9071.6 Ų71.674%0.74438%0.377SS*.SBendtrans-64.7-27.6179.700000113.3V685V685-A687 PolarHBondContact O-N 3.23Å
688F94.6Very high96.1Very high179 Ų17967.2 Ų67.279%0.78536%0.356SS*.SBendtrans-135.2140.8178.9-59.5-81.8000110P686 G714P686-F688 PolarHBondContact O-N 2.88Å; F688-G714 VanDerWaalsContact O-CA 3.23Å; F688-G714 WeakPolarHBondContact O-CA 3.24Å
689R96.5Very high96.3Very high101 Ų10161.8 Ų61.838%0.38133%0.332SS..  trans-98.6137.5173-65.8-68.5-177.7177.8-5.4110.4G691 N711 G714 H715 E754R689-G691 VanDerWaalsContact C-N 3.26Å; R689-G691 PolarHBondContact O-N 2.92Å; R689-N711 PolarHBondContact NH1-OD1 2.8Å; R689-N711 PolarHBondContact NH2-OD1 2.64Å; R689-G714 CarbonylContact C-O 3.55Å; R689-G714 WeakPolarHBondContact CA-O 3.32Å; R689-G714 VanDerWaalsContact CD-O 3.27Å; R689-G714 WeakPolarHBondContact CD-O 3.41Å; R689-H715 PolarHBondContact NH1-O 2.95Å; R689-E754 PolarHBondContact NH2-O 2.91Å
690T96.4Very high96.4Very high44 Ų4460.6 Ų60.627%0.2732%0.32SS..  trans-76.2-15.1-178.661.30000113.2K692 V713 G714 H715 M1026T690-K692 PolarHBondContact O-N 3.47Å; T690-K692 PolarHBondContact OG1-N 2.91Å; T690-V713 VanDerWaalsContact CG2-O 3.29Å; T690-V713 WeakPolarHBondContact CG2-O 3.41Å; T690-G714 PolarHBondContact N-O 3.42Å; T690-G714 PolarHBondContact OG1-O 2.83Å; T690-H715 WeakPolarHBondContact OG1-CA 3.33Å; T690-H715 PolarHBondContact OG1-ND1 3.14Å; T690-M1026 HydrophobicContact CG2-CE 4.45Å; T690-M1026 HydrophobicContact CG2-SD 4.48Å
691G96Very high96.4Very high60 Ų6057.2 Ų57.262%0.61931%0.309SS*.SBendtrans77.7-3.6-171.800000114.4R689R689-G691 VanDerWaalsContact C-N 3.26Å; R689-G691 PolarHBondContact O-N 2.92Å
692K97.8Very high96.5Very high70 Ų7056.2 Ų56.230%0.30430%0.304SS..  trans-86139.2177.3-56.7-61.8-176.6-179.10111.4T690 I694 T716 D778 L1025 M1026T690-K692 PolarHBondContact O-N 3.47Å; T690-K692 PolarHBondContact OG1-N 2.91Å; K692-I694 HydrophobicContact CB-CD1 4.45Å; K692-T716 PolarHBondContact O-N 3.43Å; K692-D778 VanDerWaalsContact CA-OD2 3.31Å; K692-D778 WeakPolarHBondContact CA-OD2 3.48Å; K692-D778 HydrophobicContact CB-CB 4.44Å; K692-D778 HydrophobicContact CD-CB 4.3Å; K692-D778 IonicContact NZ-OD1 3.15Å; K692-L1025 HydrophobicContact CB-CD1 4.08Å; K692-L1025 HydrophobicContact CG-CB 4.44Å; K692-L1025 HydrophobicContact CG-CD1 4.38Å; K692-M1026 HydrophobicContact CG-SD 4.34Å
693R98Very high96.7Very high129 Ų12949.3 Ų49.349%0.48727%0.274SS..EExtended strand (participates in β ladder)trans-107126.9179.5-60-168.6-62.4-175.1-1.8110.8T716 E776 D778 A779R693-T716 WeakPolarHBondContact CA-O 3.37Å; R693-E776 VanDerWaalsContact CZ-O 3.24Å; R693-E776 PolarHBondContact NE-O 3.36Å; R693-E776 PolarHBondContact NH2-O 3.45Å; R693-D778 PolarHBondContact N-OD2 3.28Å; R693-D778 WeakPolarHBondContact O-CB 3.26Å; R693-D778 PolarHBondContact O-N 3.33Å; R693-A779 PolarHBondContact O-N 3.09Å
694I98.3Very high96.8Very high0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-122.1128.7176.1-60.995.5000109.8K692 I696 L710 H715 T716 V717 V718 A779 I1021 L1025K692-I694 HydrophobicContact CB-CD1 4.45Å; I694-I696 HydrophobicContact CG2-CG1 4.19Å; I694-L710 HydrophobicContact CB-CD1 4.38Å; I694-L710 HydrophobicContact CG1-CD1 4.48Å; I694-L710 HydrophobicContact CG2-CD1 3.89Å; I694-H715 HydrophobicContact CD1-CB 3.32Å; I694-T716 PolarHBondContact N-O 3.21Å; I694-V717 WeakPolarHBondContact O-CA 3.3Å; I694-V718 PolarHBondContact O-N 2.91Å; I694-A779 WeakPolarHBondContact CA-O 3.34Å; I694-A779 HydrophobicContact CG1-CB 4.05Å; I694-A779 HydrophobicContact CG2-CB 4.46Å; I694-I1021 HydrophobicContact CG1-CG2 4.15Å; I694-L1025 HydrophobicContact CD1-CD1 3.89Å; I694-L1025 HydrophobicContact CG1-CD1 4.02Å
695A97.7Very high97Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-96.3133.7167.700000110.4V718 Y720 L773 N777 A779 V780 L781A695-V718 CarbonylContact C-O 3.56Å; A695-V718 WeakPolarHBondContact CA-O 3.39Å; A695-Y720 HydrophobicContact CB-CD2 4.21Å; A695-Y720 HydrophobicContact CB-CE2 3.73Å; A695-L773 HydrophobicContact CB-CD1 3.75Å; A695-L773 HydrophobicContact CB-CD2 4.14Å; A695-L773 HydrophobicContact CB-CG 3.93Å; A695-N777 HydrophobicContact CB-CB 4.25Å; A695-A779 PolarHBondContact N-O 3.17Å; A695-A779 VanDerWaalsContact N-O 3.1Å; A695-V780 HydrophobicContact CB-CG1 4.3Å; A695-V780 HydrophobicContact CB-CG2 4.21Å; A695-V780 CarbonylContact O-C 3.48Å; A695-V780 VanDerWaalsContact O-CA 3.25Å; A695-V780 WeakPolarHBondContact O-CA 3.37Å; A695-L781 PolarHBondContact O-N 2.73Å
696I98.2Very high97.1Very high0 Ų035.6 Ų35.60%020%0.198CC..EExtended strand (participates in β ladder)trans-117.4123.7173.8-60178.5000107.6I694 A706 A707 L710 V717 V718 V719 Y720 L781 S783I694-I696 HydrophobicContact CG2-CG1 4.19Å; I696-A706 HydrophobicContact CD1-CB 4.01Å; I696-A707 HydrophobicContact CD1-CB 3.73Å; I696-L710 HydrophobicContact CD1-CD1 4.32Å; I696-V717 HydrophobicContact CD1-CG1 3.55Å; I696-V717 HydrophobicContact CG1-CG1 4.06Å; I696-V718 PolarHBondContact N-O 3.22Å; I696-V719 HydrophobicContact CB-CG2 4.21Å; I696-V719 HydrophobicContact CD1-CG2 4.46Å; I696-V719 HydrophobicContact CG2-CG1 4.47Å; I696-V719 CarbonylContact O-C 3.41Å; I696-V719 WeakPolarHBondContact O-CA 3.32Å; I696-Y720 PolarHBondContact O-N 2.87Å; I696-L781 CarbonylContact C-O 3.59Å; I696-L781 WeakPolarHBondContact CA-O 3.36Å; I696-L781 HydrophobicContact CG1-CB 4.21Å; I696-L781 HydrophobicContact CG1-CD2 4.47Å; I696-L781 HydrophobicContact CG2-CD2 4.4Å; I696-S783 WeakPolarHBondContact CG2-OG 3.49Å
697V97.4Very high97.3Very high9 Ų934.7 Ų34.76%0.05519%0.192CC..EExtended strand (participates in β ladder)trans-101.5114.9-178.9-170.60000109.3V764 L773 V780 L781 L782 S783 I784 L966V697-V764 HydrophobicContact CG1-CB 3.77Å; V697-V764 HydrophobicContact CG1-CG1 4.35Å; V697-V764 HydrophobicContact CG1-CG2 3.81Å; V697-V764 HydrophobicContact CG2-CB 4.39Å; V697-V764 HydrophobicContact CG2-CG1 4.25Å; V697-V764 HydrophobicContact CG2-CG2 4.13Å; V697-L773 HydrophobicContact CG2-CD2 3.58Å; V697-V780 HydrophobicContact CG2-CG1 4.13Å; V697-L781 PolarHBondContact N-O 3.33Å; V697-L782 HydrophobicContact CB-CD2 3.97Å; V697-L782 HydrophobicContact CG2-CD2 3.89Å; V697-S783 CarbonylContact O-C 3.5Å; V697-S783 VanDerWaalsContact O-C 3.26Å; V697-S783 WeakPolarHBondContact O-CA 3.28Å; V697-S783 PolarHBondContact O-N 3.07Å; V697-S783 PolarHBondContact O-OG 3.13Å; V697-S783 VanDerWaalsContact O-OG 3.06Å; V697-I784 HydrophobicContact CB-CG2 4.22Å; V697-I784 HydrophobicContact CG1-CG2 3.7Å; V697-I784 PolarHBondContact O-N 3.27Å; V697-L966 HydrophobicContact CG1-CD2 4.1Å
698G97.4Very high97.5Very high9 Ų931 Ų319%0.09316%0.162CC..  trans98127.9-176.800000112.7Y720 S783G698-Y720 PolarHBondContact N-O 3.4Å; G698-S783 PolarHBondContact O-OG 3.23Å
699S98Very high97.6Very high0 Ų023.4 Ų23.40%013%0.129CC..  trans-9923-175.472.10000114.6L704 E721 I726 G727S699-L704 WeakPolarHBondContact O-CD1 3.24Å; S699-L704 WeakPolarHBondContact O-CG 3.31Å; S699-E721 VanDerWaalsContact CB-OE2 3.3Å; S699-E721 WeakPolarHBondContact CB-OE2 3.5Å; S699-E721 PolarHBondContact N-OE2 3.28Å; S699-E721 VanDerWaalsContact OG-CD 3.25Å; S699-E721 WeakPolarHBondContact OG-CG 3.45Å; S699-E721 PolarHBondContact OG-OE2 2.88Å; S699-I726 WeakPolarHBondContact OG-CA 3.26Å; S699-G727 CarbonylContact O-C 3.58Å; S699-G727 VanDerWaalsContact O-C 3.32Å; S699-G727 WeakPolarHBondContact O-CA 3.39Å; S699-G727 PolarHBondContact O-N 2.74Å; S699-G727 PolarHBondContact OG-N 3.48Å
700G97.3Very high97.7Very high13 Ų1318.6 Ų18.613%0.13411%0.111CC..SBendtrans-66.3179.4172.600000112.6A702 G703 L704G700-A702 PolarHBondContact O-N 2.69Å; G700-A702 VanDerWaalsContact O-N 3.09Å; G700-G703 PolarHBondContact O-N 3.07Å; G700-L704 PolarHBondContact O-N 3.01Å
701P97.9Very high97.7Very high18 Ų1816.6 Ų16.612%0.11710%0.098CC..Hα-helixtrans-54.5-35.1-177.9-21.426.8000114.3A705 L730 V1007 A1010 I1011P701-A705 WeakPolarHBondContact O-CB 3.33Å; P701-A705 PolarHBondContact O-N 2.79Å; P701-L730 HydrophobicContact CG-CD1 3.91Å; P701-L730 HydrophobicContact CG-CD2 4.12Å; P701-L730 HydrophobicContact CG-CG 3.92Å; P701-V1007 HydrophobicContact CB-CG1 3.97Å; P701-V1007 HydrophobicContact CG-CB 4.44Å; P701-V1007 HydrophobicContact CG-CG1 3.86Å; P701-V1007 HydrophobicContact CG-CG2 4.27Å; P701-A1010 HydrophobicContact CB-CB 3.95Å; P701-A1010 HydrophobicContact CG-CB 4.42Å; P701-I1011 HydrophobicContact CB-CG1 3.93Å
702A98.1Very high97.7Very high5 Ų519.8 Ų19.84%0.04110%0.095CC..Hα-helixtrans-66.1-48.4176.400000112.1G700 A705 A706 A1010 G1014G700-A702 PolarHBondContact O-N 2.69Å; G700-A702 VanDerWaalsContact O-N 3.09Å; A702-A705 PolarHBondContact O-N 2.97Å; A702-A706 WeakPolarHBondContact O-CB 3.49Å; A702-A706 PolarHBondContact O-N 3Å; A702-A1010 VanDerWaalsContact CA-O 3.25Å; A702-A1010 WeakPolarHBondContact CA-O 3.48Å; A702-A1010 HydrophobicContact CB-CB 4.09Å; A702-A1010 VanDerWaalsContact CB-O 3.31Å; A702-A1010 WeakPolarHBondContact CB-O 3.19Å; A702-G1014 WeakPolarHBondContact O-CA 3.44Å
703G98.3Very high97.6Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-63.5-44.7178.600000112.1G700 A705 A706 A707 S783G700-G703 PolarHBondContact O-N 3.07Å; G703-A705 PolarHBondContact O-N 3.29Å; G703-A706 PolarHBondContact O-N 3.18Å; G703-A707 VanDerWaalsContact O-CB 3.31Å; G703-A707 WeakPolarHBondContact O-CB 3.49Å; G703-A707 PolarHBondContact O-N 3.34Å; G703-S783 VanDerWaalsContact CA-OG 3.25Å; G703-S783 WeakPolarHBondContact CA-OG 3.37Å
704L98.6Very high97.5Very high1 Ų111.8 Ų11.81%0.0057%0.066CC..Hα-helixtrans-62.8-43.7175.7-64.9178.2000112.1F637 S699 G700 A706 A707 A708 I726 M751 F758F637-L704 HydrophobicContact CE2-CB 3.72Å; F637-L704 HydrophobicContact CZ-CB 3.67Å; S699-L704 WeakPolarHBondContact O-CD1 3.24Å; S699-L704 WeakPolarHBondContact O-CG 3.31Å; G700-L704 PolarHBondContact O-N 3.01Å; L704-A706 VanDerWaalsContact C-N 3.34Å; L704-A706 PolarHBondContact O-N 2.89Å; L704-A707 PolarHBondContact O-N 3.17Å; L704-A708 WeakPolarHBondContact O-CB 3.41Å; L704-A708 PolarHBondContact O-N 3.39Å; L704-I726 HydrophobicContact CD2-CG2 3.72Å; L704-M751 HydrophobicContact CB-CE 4.27Å; L704-M751 HydrophobicContact CB-SD 4.48Å; L704-M751 HydrophobicContact CD2-CE 4.03Å; L704-M751 HydrophobicContact CD2-SD 4.22Å; L704-M751 VanDerWaalsContact O-CE 3.31Å; L704-M751 WeakPolarHBondContact O-CE 3.48Å; L704-F758 HydrophobicContact CD2-CE1 3.63Å; L704-F758 HydrophobicContact CD2-CZ 3.92Å
705A98Very high97.5Very high0 Ų011.8 Ų11.80%07%0.066CC..Hα-helixtrans-64.5-42.4-179.900000111.2N636 F637 P701 A702 G703 Q709 I1011 R1015N636-A705 PolarHBondContact ND2-O 3Å; F637-A705 HydrophobicContact CE2-CB 3.85Å; F637-A705 HydrophobicContact CZ-CB 4.49Å; P701-A705 WeakPolarHBondContact O-CB 3.33Å; P701-A705 PolarHBondContact O-N 2.79Å; A702-A705 PolarHBondContact O-N 2.97Å; G703-A705 PolarHBondContact O-N 3.29Å; A705-Q709 VanDerWaalsContact O-CG 3.29Å; A705-Q709 WeakPolarHBondContact O-CG 3.32Å; A705-Q709 PolarHBondContact O-N 2.86Å; A705-Q709 VanDerWaalsContact O-N 3.15Å; A705-I1011 HydrophobicContact CB-CB 4.29Å; A705-I1011 HydrophobicContact CB-CG2 3.89Å; A705-R1015 HydrophobicContact CB-CG 4.44Å
706A98.3Very high97.5Very high0 Ų014.7 Ų14.70%08%0.084CC..Hα-helixtrans-64-43.7175.200000111.7I696 A702 G703 L704 A708 Q709 L710 L781 G1014 A1018I696-A706 HydrophobicContact CD1-CB 4.01Å; A702-A706 WeakPolarHBondContact O-CB 3.49Å; A702-A706 PolarHBondContact O-N 3Å; G703-A706 PolarHBondContact O-N 3.18Å; L704-A706 VanDerWaalsContact C-N 3.34Å; L704-A706 PolarHBondContact O-N 2.89Å; A706-A708 PolarHBondContact O-N 2.84Å; A706-Q709 PolarHBondContact O-N 2.85Å; A706-L710 WeakPolarHBondContact O-CB 3.14Å; A706-L710 WeakPolarHBondContact O-CG 3.37Å; A706-L710 PolarHBondContact O-N 3.38Å; A706-L781 HydrophobicContact CB-CD2 3.32Å; A706-G1014 WeakPolarHBondContact CB-O 3.47Å; A706-A1018 HydrophobicContact CB-CB 4.32Å
707A98.5Very high97.5Very high0 Ų014.7 Ų14.70%08%0.084CC..Hα-helixtrans-59.8-47.8178.400000112I696 G703 L704 Q709 L710 N711 V717 V719 M751 V756I696-A707 HydrophobicContact CD1-CB 3.73Å; G703-A707 VanDerWaalsContact O-CB 3.31Å; G703-A707 WeakPolarHBondContact O-CB 3.49Å; G703-A707 PolarHBondContact O-N 3.34Å; L704-A707 PolarHBondContact O-N 3.17Å; A707-Q709 VanDerWaalsContact C-N 3.34Å; A707-Q709 PolarHBondContact O-N 3.09Å; A707-L710 PolarHBondContact O-N 2.98Å; A707-N711 WeakPolarHBondContact O-CB 3.34Å; A707-N711 PolarHBondContact O-N 3.43Å; A707-V717 HydrophobicContact CB-CG1 3.93Å; A707-V719 HydrophobicContact CB-CG2 3.73Å; A707-M751 HydrophobicContact CB-CE 3.84Å; A707-V756 HydrophobicContact CB-CG1 4.09Å
708A96.9Very high97.6Very high13 Ų1315.4 Ų15.411%0.1079%0.088CC..Hα-helixtrans-60.2-42.2177.400000112.1F637 L704 A706 K712 M751F637-A708 HydrophobicContact CZ-CB 4.45Å; L704-A708 WeakPolarHBondContact O-CB 3.41Å; L704-A708 PolarHBondContact O-N 3.39Å; A706-A708 PolarHBondContact O-N 2.84Å; A708-K712 VanDerWaalsContact O-CB 3.27Å; A708-K712 WeakPolarHBondContact O-CB 3.24Å; A708-K712 PolarHBondContact O-N 2.85Å; A708-K712 VanDerWaalsContact O-N 3.1Å; A708-M751 HydrophobicContact CB-CE 4.12Å
709Q96.4Very high97.6Very high20 Ų2015 Ų159%0.0938%0.084CC..Hα-helixtrans-69.7-47.6179.4-67.3-63.5-4900112.2N636 A705 A706 A707 K712 V713 R1015 A1018 L1031N636-Q709 PolarHBondContact ND2-NE2 3.45Å; A705-Q709 VanDerWaalsContact O-CG 3.29Å; A705-Q709 WeakPolarHBondContact O-CG 3.32Å; A705-Q709 PolarHBondContact O-N 2.86Å; A705-Q709 VanDerWaalsContact O-N 3.15Å; A706-Q709 PolarHBondContact O-N 2.85Å; A707-Q709 VanDerWaalsContact C-N 3.34Å; A707-Q709 PolarHBondContact O-N 3.09Å; Q709-K712 WeakPolarHBondContact O-CB 3.43Å; Q709-K712 PolarHBondContact O-N 2.81Å; Q709-V713 PolarHBondContact O-N 3.3Å; Q709-R1015 HydrophobicContact CG-CB 4.43Å; Q709-R1015 HydrophobicContact CG-CG 4Å; Q709-A1018 HydrophobicContact CB-CB 3.66Å; Q709-A1018 HydrophobicContact CG-CB 4.46Å; Q709-L1031 HydrophobicContact CB-CD1 4.18Å; Q709-L1031 HydrophobicContact CB-CD2 4.16Å
710L97.8Very high97.6Very high0 Ų016.4 Ų16.40%09%0.089CC..Hα-helixtrans-66-39.9-179.1-71.8169.6000111.8I694 I696 A706 A707 V713 H715 V717 A1018 I1021I694-L710 HydrophobicContact CB-CD1 4.38Å; I694-L710 HydrophobicContact CG1-CD1 4.48Å; I694-L710 HydrophobicContact CG2-CD1 3.89Å; I696-L710 HydrophobicContact CD1-CD1 4.32Å; A706-L710 WeakPolarHBondContact O-CB 3.14Å; A706-L710 WeakPolarHBondContact O-CG 3.37Å; A706-L710 PolarHBondContact O-N 3.38Å; A707-L710 PolarHBondContact O-N 2.98Å; L710-V713 VanDerWaalsContact O-CG2 3.29Å; L710-V713 WeakPolarHBondContact O-CG2 3.03Å; L710-V713 PolarHBondContact O-N 2.84Å; L710-H715 HydrophobicContact CB-CB 4.44Å; L710-H715 WeakPolarHBondContact O-CB 3.43Å; L710-H715 PolarHBondContact O-N 2.95Å; L710-H715 VanDerWaalsContact O-N 3.12Å; L710-V717 HydrophobicContact CB-CG2 3.66Å; L710-A1018 HydrophobicContact CD1-CB 4.37Å; L710-A1018 HydrophobicContact CD2-CB 4.09Å; L710-A1018 WeakPolarHBondContact CD2-O 3.46Å; L710-A1018 HydrophobicContact CG-CB 3.75Å; L710-I1021 HydrophobicContact CD1-CD1 4.27Å; L710-I1021 HydrophobicContact CD1-CG2 4.39Å; L710-I1021 HydrophobicContact CD2-CB 4.17Å; L710-I1021 HydrophobicContact CD2-CG2 3.85Å
711N97.6Very high97.7Very high1 Ų116.2 Ų16.21%0.0059%0.085CC..Hα-helixtrans-61.1-46.3173.7-174.264.4000110.5P686 R689 A707 V713 G714 V717 E754 V756P686-N711 WeakPolarHBondContact CG-O 3.48Å; R689-N711 PolarHBondContact NH1-OD1 2.8Å; R689-N711 PolarHBondContact NH2-OD1 2.64Å; A707-N711 WeakPolarHBondContact O-CB 3.34Å; A707-N711 PolarHBondContact O-N 3.43Å; N711-V713 PolarHBondContact O-N 3.37Å; N711-V713 VanDerWaalsContact O-N 3.13Å; N711-G714 WeakPolarHBondContact O-CA 3.4Å; N711-G714 PolarHBondContact O-N 3.11Å; N711-V717 HydrophobicContact CB-CG2 4.35Å; N711-E754 WeakPolarHBondContact ND2-CB 3.44Å; N711-E754 PolarHBondContact ND2-O 3.04Å; N711-V756 HydrophobicContact CB-CG2 3.74Å
712K94.9Very high97.6Very high128 Ų12820.3 Ų20.356%0.55710%0.098SC*.Hα-helixtrans-54.6-33.2179.9-179.2171.1-176.4158.50114.2A708 Q709 G714A708-K712 VanDerWaalsContact O-CB 3.27Å; A708-K712 WeakPolarHBondContact O-CB 3.24Å; A708-K712 PolarHBondContact O-N 2.85Å; A708-K712 VanDerWaalsContact O-N 3.1Å; Q709-K712 WeakPolarHBondContact O-CB 3.43Å; Q709-K712 PolarHBondContact O-N 2.81Å; K712-G714 VanDerWaalsContact C-N 3.31Å
713V95.1Very high97.4Very high31 Ų3120.9 Ų20.919%0.18810%0.102CC..THydrogen-bonded Turntrans-90.49.5176.3-67.40000114T690 Q709 L710 N711 H715 S1030 L1031T690-V713 VanDerWaalsContact CG2-O 3.29Å; T690-V713 WeakPolarHBondContact CG2-O 3.41Å; Q709-V713 PolarHBondContact O-N 3.3Å; L710-V713 VanDerWaalsContact O-CG2 3.29Å; L710-V713 WeakPolarHBondContact O-CG2 3.03Å; L710-V713 PolarHBondContact O-N 2.84Å; N711-V713 PolarHBondContact O-N 3.37Å; N711-V713 VanDerWaalsContact O-N 3.13Å; V713-H715 VanDerWaalsContact CG2-CD2 3.5Å; V713-H715 WeakPolarHBondContact CG2-CD2 3.05Å; V713-S1030 WeakPolarHBondContact CG1-OG 3.15Å; V713-L1031 HydrophobicContact CG1-CD2 3.38Å; V713-L1031 HydrophobicContact CG1-CG 3.74Å; V713-L1031 HydrophobicContact CG2-CD1 4.33Å; V713-L1031 HydrophobicContact CG2-CD2 4.41Å; V713-L1031 HydrophobicContact CG2-CG 4.44Å
714G96.9Very high97.2Very high0 Ų022.9 Ų22.90%011%0.113CC..THydrogen-bonded Turntrans95.72.6170.400000114.9F688 R689 T690 N711 K712F688-G714 VanDerWaalsContact O-CA 3.23Å; F688-G714 WeakPolarHBondContact O-CA 3.24Å; R689-G714 CarbonylContact C-O 3.55Å; R689-G714 WeakPolarHBondContact CA-O 3.32Å; R689-G714 VanDerWaalsContact CD-O 3.27Å; R689-G714 WeakPolarHBondContact CD-O 3.41Å; T690-G714 PolarHBondContact N-O 3.42Å; T690-G714 PolarHBondContact OG1-O 2.83Å; N711-G714 WeakPolarHBondContact O-CA 3.4Å; N711-G714 PolarHBondContact O-N 3.11Å; K712-G714 VanDerWaalsContact C-N 3.31Å
715H98.1Very high97.1Very high0 Ų026.2 Ų26.20%013%0.125CC..  trans-69.7152.9175.6-61.4-57.6000111.7R689 T690 I694 L710 V713 V717 D1022R689-H715 PolarHBondContact NH1-O 2.95Å; T690-H715 WeakPolarHBondContact OG1-CA 3.33Å; T690-H715 PolarHBondContact OG1-ND1 3.14Å; I694-H715 HydrophobicContact CD1-CB 3.32Å; L710-H715 HydrophobicContact CB-CB 4.44Å; L710-H715 WeakPolarHBondContact O-CB 3.43Å; L710-H715 PolarHBondContact O-N 2.95Å; L710-H715 VanDerWaalsContact O-N 3.12Å; V713-H715 VanDerWaalsContact CG2-CD2 3.5Å; V713-H715 WeakPolarHBondContact CG2-CD2 3.05Å; H715-V717 HydrophobicContact CB-CG2 4.46Å; H715-D1022 IonicContact CD2-OD1 2.93Å; H715-D1022 IonicContact CE1-OD1 2.81Å; H715-D1022 IonicContact NE2-OD1 3.43Å; H715-D1022 PolarHBondContact NE2-OD1 3Å
716T98.4Very high97Very high60 Ų6026.9 Ų26.937%0.36813%0.129SC..EExtended strand (participates in β ladder)trans-88.4116.1171.7-60.40000108.7K692 R693 I694K692-T716 PolarHBondContact O-N 3.43Å; R693-T716 WeakPolarHBondContact CA-O 3.37Å; I694-T716 PolarHBondContact N-O 3.21Å
717V98.5Very high96.9Very high1 Ų126.9 Ų26.91%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-115.3128.5-173.1-174.30000110.9I694 I696 A707 L710 N711 H715 V719 R757I694-V717 WeakPolarHBondContact O-CA 3.3Å; I696-V717 HydrophobicContact CD1-CG1 3.55Å; I696-V717 HydrophobicContact CG1-CG1 4.06Å; A707-V717 HydrophobicContact CB-CG1 3.93Å; L710-V717 HydrophobicContact CB-CG2 3.66Å; N711-V717 HydrophobicContact CB-CG2 4.35Å; H715-V717 HydrophobicContact CB-CG2 4.46Å; V717-V719 HydrophobicContact CG1-CG2 4.25Å; V717-R757 PolarHBondContact O-N 2.95Å; V717-R757 VanDerWaalsContact O-N 3.13Å
718V98.3Very high96.8Very high23 Ų2327.7 Ų27.714%0.13914%0.137CC..EExtended strand (participates in β ladder)trans-117.5124.9170.2-1720000109.1I694 A695 I696 Y720 R757 V759I694-V718 PolarHBondContact O-N 2.91Å; A695-V718 CarbonylContact C-O 3.56Å; A695-V718 WeakPolarHBondContact CA-O 3.39Å; I696-V718 PolarHBondContact N-O 3.22Å; V718-Y720 HydrophobicContact CB-CE2 3.91Å; V718-Y720 HydrophobicContact CG1-CD2 4.22Å; V718-Y720 HydrophobicContact CG1-CE1 4.29Å; V718-Y720 HydrophobicContact CG1-CE2 3.6Å; V718-R757 CarbonylContact C-O 3.37Å; V718-R757 WeakPolarHBondContact CA-O 3.25Å; V718-R757 HydrophobicContact CG1-CB 4.44Å; V718-R757 HydrophobicContact CG1-CG 4.4Å; V718-R757 HydrophobicContact CG2-CB 4.31Å; V718-V759 HydrophobicContact CG1-CG2 3.7Å
719V98.5Very high96.7Very high0 Ų031.5 Ų31.50%016%0.155CC..EExtended strand (participates in β ladder)trans-105120.9177.5-175.80000108.8I696 A707 V717 V756 R757 F758 V759I696-V719 HydrophobicContact CB-CG2 4.21Å; I696-V719 HydrophobicContact CD1-CG2 4.46Å; I696-V719 HydrophobicContact CG2-CG1 4.47Å; I696-V719 CarbonylContact O-C 3.41Å; I696-V719 WeakPolarHBondContact O-CA 3.32Å; A707-V719 HydrophobicContact CB-CG2 3.73Å; V717-V719 HydrophobicContact CG1-CG2 4.25Å; V719-V756 HydrophobicContact CG2-CG1 3.93Å; V719-R757 PolarHBondContact N-O 3.46Å; V719-F758 HydrophobicContact CB-CD1 3.63Å; V719-F758 HydrophobicContact CB-CE1 3.82Å; V719-F758 HydrophobicContact CG1-CD1 4.03Å; V719-F758 HydrophobicContact CG1-CE1 4.12Å; V719-F758 HydrophobicContact CG2-CD1 4.11Å; V719-F758 HydrophobicContact CG2-CE1 3.82Å; V719-V759 PolarHBondContact O-N 2.98Å
720Y98.2Very high96.7Very high30 Ų3030.6 Ų30.612%0.11815%0.151CC..EExtended strand (participates in β ladder)trans-98.6126.9178.1-62.4-94.4000109.7A695 I696 G698 V718 V759 I762 V764 I768 L773A695-Y720 HydrophobicContact CB-CD2 4.21Å; A695-Y720 HydrophobicContact CB-CE2 3.73Å; I696-Y720 PolarHBondContact O-N 2.87Å; G698-Y720 PolarHBondContact N-O 3.4Å; V718-Y720 HydrophobicContact CB-CE2 3.91Å; V718-Y720 HydrophobicContact CG1-CD2 4.22Å; V718-Y720 HydrophobicContact CG1-CE1 4.29Å; V718-Y720 HydrophobicContact CG1-CE2 3.6Å; Y720-V759 WeakPolarHBondContact CA-O 3.2Å; Y720-V759 HydrophobicContact CD1-CB 4.13Å; Y720-V759 HydrophobicContact CD1-CG1 4.4Å; Y720-V759 HydrophobicContact CE1-CB 4.43Å; Y720-V759 HydrophobicContact CE1-CG2 4.48Å; Y720-I762 HydrophobicContact CD1-CG2 4.3Å; Y720-V764 HydrophobicContact CD1-CG2 4.49Å; Y720-V764 HydrophobicContact CG-CG2 4.17Å; Y720-I768 HydrophobicContact CD1-CD1 4.07Å; Y720-I768 HydrophobicContact CE1-CD1 3.76Å; Y720-L773 HydrophobicContact CD2-CD1 4.22Å; Y720-L773 HydrophobicContact CE1-CD1 4.38Å; Y720-L773 HydrophobicContact CE2-CD1 3.6Å
721E97.7Very high96.6Very high9 Ų930.7 Ų30.74%0.04215%0.151CC..  trans-127.9131179.6175.451.5-123.900109.9S699 S723 R725 I726 V759 T760 D761 I762S699-E721 VanDerWaalsContact CB-OE2 3.3Å; S699-E721 WeakPolarHBondContact CB-OE2 3.5Å; S699-E721 PolarHBondContact N-OE2 3.28Å; S699-E721 VanDerWaalsContact OG-CD 3.25Å; S699-E721 WeakPolarHBondContact OG-CG 3.45Å; S699-E721 PolarHBondContact OG-OE2 2.88Å; E721-S723 VanDerWaalsContact C-N 3.3Å; E721-S723 VanDerWaalsContact OE1-CB 3.26Å; E721-S723 WeakPolarHBondContact OE1-CB 3.47Å; E721-S723 PolarHBondContact OE1-N 3.46Å; E721-S723 PolarHBondContact OE1-OG 3.44Å; E721-R725 WeakPolarHBondContact CG-O 3.39Å; E721-I726 HydrophobicContact CB-CD1 3.64Å; E721-I726 HydrophobicContact CG-CD1 4.06Å; E721-V759 PolarHBondContact N-O 2.74Å; E721-T760 CarbonylContact O-C 3.23Å; E721-T760 VanDerWaalsContact O-C 3.23Å; E721-T760 VanDerWaalsContact O-CA 3.31Å; E721-T760 WeakPolarHBondContact O-CA 3.38Å; E721-D761 PolarHBondContact O-N 2.8Å; E721-I762 CarbonylContact C-O 3.58Å; E721-I762 PolarHBondContact O-N 2.87Å; E721-I762 VanDerWaalsContact O-N 3.1Å
722R95.6Very high96.5Very high104 Ų10430.9 Ų30.939%0.39215%0.152SC..SBendtrans-73.4-25.6178.867.7176.3-177.8-179.7-1.2113.1I762 E763 T787 E963R722-I762 WeakPolarHBondContact CA-O 3.26Å; R722-I762 PolarHBondContact N-O 3.45Å; R722-E763 HydrophobicContact CB-CB 4.04Å; R722-E763 HydrophobicContact CB-CG 4.41Å; R722-E763 IonicContact NH1-OE1 3.58Å; R722-T787 VanDerWaalsContact NH2-CG2 3.31Å; R722-E963 IonicContact CZ-OE2 3.2Å; R722-E963 IonicContact NH1-OE1 2.7Å; R722-E963 IonicContact NH1-OE2 3.71Å; R722-E963 PolarHBondContact NH1-OE2 2.75Å; R722-E963 IonicContact NH2-OE2 2.92Å
723S94.4Very high96.4Very high17 Ų1725 Ų2512%0.11913%0.128CC..SBendtrans-84.4162.2178.5-41.80000110.8E721 R725 T760 D761E721-S723 VanDerWaalsContact C-N 3.3Å; E721-S723 VanDerWaalsContact OE1-CB 3.26Å; E721-S723 WeakPolarHBondContact OE1-CB 3.47Å; E721-S723 PolarHBondContact OE1-N 3.46Å; E721-S723 PolarHBondContact OE1-OG 3.44Å; S723-R725 PolarHBondContact O-N 2.87Å; S723-T760 VanDerWaalsContact O-CB 3.29Å; S723-T760 WeakPolarHBondContact O-CB 3.46Å; S723-D761 PolarHBondContact O-N 3.04Å; S723-D761 VanDerWaalsContact O-N 3.13Å
724N94.4Very high96.4Very high43 Ų4324.5 Ų24.523%0.2312%0.124CC..SBendtrans-74.2-1.5176.863.3-41.1000114.3Y732 D761 Y819N724-Y732 PolarHBondContact OD1-OH 3.17Å; N724-D761 VanDerWaalsContact CA-OD1 3.27Å; N724-D761 WeakPolarHBondContact CA-OD1 3.41Å; N724-D761 WeakPolarHBondContact CB-OD1 3.46Å; N724-Y819 WeakPolarHBondContact ND2-CE1 3.22Å; N724-Y819 WeakPolarHBondContact ND2-CE2 3.27Å
725R95.7Very high96.3Very high70 Ų7024.5 Ų24.526%0.26412%0.124SC..SBendtrans-142.8152.1174.9-72.4-168.3173.6-97.7-10.2112.3E721 S723 E731 Y732 D745 Y819E721-R725 WeakPolarHBondContact CG-O 3.39Å; S723-R725 PolarHBondContact O-N 2.87Å; R725-E731 HydrophobicContact CB-CG 3.94Å; R725-E731 WeakPolarHBondContact CD-OE1 3.23Å; R725-Y732 HydrophobicContact CB-CE2 4.26Å; R725-Y732 WeakPolarHBondContact CB-OH 3.38Å; R725-Y732 WeakPolarHBondContact CG-OH 3.29Å; R725-D745 IonicContact NH1-OD1 3.9Å; R725-D745 PolarHBondContact NH1-OD1 3.03Å; R725-D745 VanDerWaalsContact NH1-OD1 3.14Å; R725-Y819 PolarHBondContact NE-OH 2.99Å; R725-Y819 PolarHBondContact NH2-OH 3.2Å
726I97.9Very high96.2Very high15 Ų1525.2 Ų25.28%0.07713%0.129CC..SBendtrans-82.1141179.6-59.6-52.9000111.1S699 L704 E721 V748 F758 T760S699-I726 WeakPolarHBondContact OG-CA 3.26Å; L704-I726 HydrophobicContact CD2-CG2 3.72Å; E721-I726 HydrophobicContact CB-CD1 3.64Å; E721-I726 HydrophobicContact CG-CD1 4.06Å; I726-V748 HydrophobicContact CB-CG1 4.22Å; I726-V748 HydrophobicContact CB-CG2 3.93Å; I726-V748 HydrophobicContact CG1-CG1 4.38Å; I726-V748 HydrophobicContact CG2-CG1 4.18Å; I726-V748 HydrophobicContact CG2-CG2 3.5Å; I726-V748 VanDerWaalsContact CG2-CG2 3.5Å; I726-F758 HydrophobicContact CB-CD1 4.47Å; I726-F758 HydrophobicContact CD1-CB 3.87Å; I726-F758 HydrophobicContact CD1-CD1 3.62Å; I726-F758 HydrophobicContact CD1-CG 4Å; I726-F758 HydrophobicContact CG1-CB 3.92Å; I726-F758 HydrophobicContact CG1-CD1 3.74Å; I726-F758 HydrophobicContact CG1-CE1 4.47Å; I726-F758 HydrophobicContact CG1-CG 3.84Å; I726-F758 HydrophobicContact CG2-CD1 3.85Å; I726-F758 HydrophobicContact CG2-CE1 3.74Å; I726-F758 HydrophobicContact CG2-CZ 4.31Å; I726-T760 HydrophobicContact CD1-CG2 3.67Å; I726-T760 HydrophobicContact CG1-CG2 4.07Å
727G95.8Very high96Very high0 Ų022.4 Ų22.40%011%0.112CC..SBendtrans128.7-7.5174.400000114.8S699 L729 L730S699-G727 CarbonylContact O-C 3.58Å; S699-G727 VanDerWaalsContact O-C 3.32Å; S699-G727 WeakPolarHBondContact O-CA 3.39Å; S699-G727 PolarHBondContact O-N 2.74Å; S699-G727 PolarHBondContact OG-N 3.48Å; G727-L729 PolarHBondContact O-N 2.9Å; G727-L730 VanDerWaalsContact O-CB 3.26Å; G727-L730 WeakPolarHBondContact O-CB 3.18Å; G727-L730 PolarHBondContact O-N 3.16Å
728G95.4Very high95.7Very high17 Ų1723.2 Ų23.218%0.17512%0.115CC..THydrogen-bonded Turntrans53.1-127-176.900000112.2L730 E731 Y732G728-L730 VanDerWaalsContact C-N 3.25Å; G728-L730 PolarHBondContact O-N 3.26Å; G728-E731 WeakPolarHBondContact O-CB 3.43Å; G728-E731 PolarHBondContact O-N 3.4Å; G728-E731 VanDerWaalsContact O-N 3.11Å; G728-Y732 PolarHBondContact O-N 2.99Å; G728-Y732 VanDerWaalsContact O-N 3.14Å
729L94.5Very high95.6Very high92 Ų9222.1 Ų22.148%0.48211%0.109SC..Hα-helixtrans-71.5-13.4178.9-62.4-173.7000114.3G727 E731 G733 I734 M806G727-L729 PolarHBondContact O-N 2.9Å; L729-E731 PolarHBondContact O-N 2.92Å; L729-G733 CarbonylContact O-C 3.42Å; L729-G733 VanDerWaalsContact O-CA 3.24Å; L729-G733 WeakPolarHBondContact O-CA 3.34Å; L729-G733 PolarHBondContact O-N 3.48Å; L729-I734 PolarHBondContact O-N 3.22Å; L729-M806 HydrophobicContact CD2-CE 3.42Å; L729-M806 VanDerWaalsContact CD2-CE 3.42Å; L729-M806 HydrophobicContact CD2-SD 4.2Å
730L96.4Very high95.4Very high2 Ų222.9 Ų22.91%0.0112%0.115CC..Hα-helixtrans-62.6-37.2168.1-60.2178.4000110.4F640 P701 G727 G728 I734 L739 K741 I744 V1007F640-L730 HydrophobicContact CD2-CD1 3.63Å; F640-L730 HydrophobicContact CE2-CD1 3.75Å; F640-L730 HydrophobicContact CG-CD1 4.13Å; F640-L730 HydrophobicContact CZ-CD1 4.3Å; P701-L730 HydrophobicContact CG-CD1 3.91Å; P701-L730 HydrophobicContact CG-CD2 4.12Å; P701-L730 HydrophobicContact CG-CG 3.92Å; G727-L730 VanDerWaalsContact O-CB 3.26Å; G727-L730 WeakPolarHBondContact O-CB 3.18Å; G727-L730 PolarHBondContact O-N 3.16Å; G728-L730 VanDerWaalsContact C-N 3.25Å; G728-L730 PolarHBondContact O-N 3.26Å; L730-I734 HydrophobicContact CD2-CD1 3.82Å; L730-L739 HydrophobicContact CB-CD2 4.05Å; L730-L739 HydrophobicContact CD2-CD2 4.03Å; L730-K741 PolarHBondContact O-NZ 2.79Å; L730-I744 VanDerWaalsContact C-CD1 3.42Å; L730-I744 HydrophobicContact CB-CD1 3.73Å; L730-I744 HydrophobicContact CB-CG1 4.42Å; L730-I744 VanDerWaalsContact O-CD1 3.24Å; L730-I744 WeakPolarHBondContact O-CD1 3.42Å; L730-V1007 HydrophobicContact CD2-CG1 4.27Å; L730-V1007 HydrophobicContact CD2-CG2 3.89Å
731E96Very high95.3Very high1 Ų122 Ų221%0.00511%0.112CC..Hα-helixtrans-81.9-50-178-179.661.1-162.200111.5R725 G728 L729 K741 I744 R817R725-E731 HydrophobicContact CB-CG 3.94Å; R725-E731 WeakPolarHBondContact CD-OE1 3.23Å; G728-E731 WeakPolarHBondContact O-CB 3.43Å; G728-E731 PolarHBondContact O-N 3.4Å; G728-E731 VanDerWaalsContact O-N 3.11Å; L729-E731 PolarHBondContact O-N 2.92Å; E731-K741 WeakPolarHBondContact O-CE 3.19Å; E731-I744 HydrophobicContact CB-CD1 4.35Å; E731-R817 VanDerWaalsContact CD-NH2 3.3Å; E731-R817 IonicContact OE1-CZ 2.73Å; E731-R817 IonicContact OE1-NE 3.14Å; E731-R817 PolarHBondContact OE1-NE 3.24Å; E731-R817 IonicContact OE1-NH2 3.92Å; E731-R817 PolarHBondContact OE1-NH2 3.23Å; E731-R817 IonicContact OE2-CZ 2.69Å; E731-R817 IonicContact OE2-NE 3.4Å; E731-R817 IonicContact OE2-NH2 2.79Å; E731-R817 PolarHBondContact OE2-NH2 3.37Å
732Y94.8Very high95.2Very high5 Ų528.3 Ų28.32%0.0214%0.135CC..Hα-helixtrans-111.5-5.9-170.2-65.9-51.4000116.1N724 R725 G728 K810 Q813 M814N724-Y732 PolarHBondContact OD1-OH 3.17Å; R725-Y732 HydrophobicContact CB-CE2 4.26Å; R725-Y732 WeakPolarHBondContact CB-OH 3.38Å; R725-Y732 WeakPolarHBondContact CG-OH 3.29Å; G728-Y732 PolarHBondContact O-N 2.99Å; G728-Y732 VanDerWaalsContact O-N 3.14Å; Y732-K810 HydrophobicContact CG-CG 4.32Å; Y732-K810 VanDerWaalsContact O-CA 3.24Å; Y732-K810 WeakPolarHBondContact O-CA 3.36Å; Y732-K810 PolarHBondContact O-N 3.01Å; Y732-Q813 HydrophobicContact CD1-CB 4.19Å; Y732-M814 HydrophobicContact CD1-CG 3.62Å; Y732-M814 HydrophobicContact CE1-CB 4.42Å; Y732-M814 HydrophobicContact CE1-CG 3.38Å
733G93.5Very high95.2Very high5 Ų523.3 Ų23.35%0.05212%0.116CC..THydrogen-bonded Turntrans-103.4-56.217700000112.8L729L729-G733 CarbonylContact O-C 3.42Å; L729-G733 VanDerWaalsContact O-CA 3.24Å; L729-G733 WeakPolarHBondContact O-CA 3.34Å; L729-G733 PolarHBondContact O-N 3.48Å
734I95.1Very high95.4Very high20 Ų2022.5 Ų22.510%0.10311%0.11CC..SBendtrans-71.6130.2-178.2-59.5-178.5000108.7V644 L729 L730 K738 L739 K741V644-I734 HydrophobicContact CB-CD1 3.96Å; V644-I734 HydrophobicContact CG1-CD1 3.77Å; V644-I734 HydrophobicContact CG1-CG2 4.14Å; V644-I734 HydrophobicContact CG2-CD1 4.16Å; L729-I734 PolarHBondContact O-N 3.22Å; L730-I734 HydrophobicContact CD2-CD1 3.82Å; I734-K738 HydrophobicContact CG2-CB 3.91Å; I734-K738 HydrophobicContact CG2-CD 4.03Å; I734-K738 HydrophobicContact CG2-CG 4.07Å; I734-L739 HydrophobicContact CG2-CB 3.89Å; I734-K741 PolarHBondContact O-NZ 3.5Å
735P95.8Very high95.5Very high0 Ų022.3 Ų22.30%011%0.109CC..  trans-67.3156.1-179.9-26.136.2000114.7M737 K738 L739 L809 D844P735-M737 VanDerWaalsContact C-N 3.3Å; P735-M737 HydrophobicContact CB-CE 3.24Å; P735-M737 HydrophobicContact CB-CG 4.49Å; P735-M737 HydrophobicContact CB-SD 3.27Å; P735-M737 WeakPolarHBondContact CB-SD 3.46Å; P735-M737 HydrophobicContact CG-CE 3.7Å; P735-M737 HydrophobicContact CG-SD 4.36Å; P735-M737 PolarHBondContact O-N 2.85Å; P735-K738 PolarHBondContact O-N 2.96Å; P735-L739 PolarHBondContact O-N 2.86Å; P735-L739 VanDerWaalsContact O-N 3.1Å; P735-L809 HydrophobicContact CG-CD2 4.2Å; P735-D844 VanDerWaalsContact CD-CG 3.48Å; P735-D844 WeakPolarHBondContact CD-OD2 3.37Å; P735-D844 HydrophobicContact CG-CB 3.71Å
736S95Very high95.6Very high16 Ų1621.4 Ų21.411%0.11211%0.106CC..THydrogen-bonded Turntrans-57.3-36.2-179-61.90000114.2K738 L739 A740 Q813 Q816S736-K738 VanDerWaalsContact C-N 3.27Å; S736-K738 PolarHBondContact O-N 2.75Å; S736-L739 CarbonylContact O-C 3.59Å; S736-A740 WeakPolarHBondContact O-CA 3.49Å; S736-A740 PolarHBondContact O-N 3.43Å; S736-A740 VanDerWaalsContact O-N 3.14Å; S736-Q813 PolarHBondContact OG-NE2 3.31Å; S736-Q816 PolarHBondContact OG-OE1 3.26Å
737M94.1Very high95.5Very high0 Ų021.6 Ų21.60%011%0.106CC..THydrogen-bonded Turntrans-68.1-25.7178.663.2-80.1-173.500113W572 N573 E574 L575 P735 Y887W572-M737 HydrophobicContact CE3-SD 3.58Å; W572-M737 VanDerWaalsContact CE3-SD 3.58Å; W572-M737 HydrophobicContact CZ3-CE 4.23Å; W572-M737 HydrophobicContact CZ3-SD 3.59Å; W572-M737 VanDerWaalsContact CZ3-SD 3.59Å; N573-M737 WeakPolarHBondContact O-CA 3.18Å; N573-M737 WeakPolarHBondContact O-CB 3.39Å; E574-M737 CarbonylContact C-O 3.58Å; E574-M737 VanDerWaalsContact CA-O 3.29Å; E574-M737 WeakPolarHBondContact CA-O 3.42Å; L575-M737 HydrophobicContact CD1-CG 4.47Å; L575-M737 HydrophobicContact CD2-CB 4.19Å; L575-M737 HydrophobicContact CD2-CG 4.12Å; L575-M737 HydrophobicContact CG-CB 4.15Å; L575-M737 HydrophobicContact CG-CG 4.22Å; L575-M737 VanDerWaalsContact CG-O 3.32Å; L575-M737 WeakPolarHBondContact CG-O 3.48Å; L575-M737 PolarHBondContact N-O 3.13Å; P735-M737 VanDerWaalsContact C-N 3.3Å; P735-M737 HydrophobicContact CB-CE 3.24Å; P735-M737 HydrophobicContact CB-CG 4.49Å; P735-M737 HydrophobicContact CB-SD 3.27Å; P735-M737 WeakPolarHBondContact CB-SD 3.46Å; P735-M737 HydrophobicContact CG-CE 3.7Å; P735-M737 HydrophobicContact CG-SD 4.36Å; P735-M737 PolarHBondContact O-N 2.85Å; M737-Y887 HydrophobicContact CE-CE2 3.88Å; M737-Y887 WeakPolarHBondContact CE-OH 3.27Å; M737-Y887 HydrophobicContact CG-CE2 4.4Å
738K93.1Very high95.6Very high19 Ų1922.3 Ų22.38%0.08311%0.11CC..THydrogen-bonded Turntrans-89.2-37.6179.4-168.5172.7-176.2-178.60112L575 I734 P735 S736 D844 Y887L575-K738 HydrophobicContact CD1-CB 4.4Å; I734-K738 HydrophobicContact CG2-CB 3.91Å; I734-K738 HydrophobicContact CG2-CD 4.03Å; I734-K738 HydrophobicContact CG2-CG 4.07Å; P735-K738 PolarHBondContact O-N 2.96Å; S736-K738 VanDerWaalsContact C-N 3.27Å; S736-K738 PolarHBondContact O-N 2.75Å; K738-D844 WeakPolarHBondContact CD-OD1 3.31Å; K738-D844 IonicContact NZ-OD1 3.21Å; K738-D844 PolarHBondContact NZ-OD1 3.46Å; K738-D844 IonicContact NZ-OD2 3.1Å; K738-D844 PolarHBondContact NZ-OD2 2.91Å; K738-Y887 HydrophobicContact CD-CE1 4.11Å
739L95.1Very high95.7Very high0 Ų027.4 Ų27.40%013%0.129CC..SBendtrans-142.5102.7173.5177.563.7000109.4F640 R643 V644 L730 I734 P735 S736 K741 I743 I744F640-L739 HydrophobicContact CD1-CD1 4.28Å; F640-L739 HydrophobicContact CD1-CD2 4.46Å; R643-L739 HydrophobicContact CB-CD1 4.44Å; V644-L739 HydrophobicContact CG1-CB 3.89Å; V644-L739 HydrophobicContact CG1-CD2 4.15Å; V644-L739 HydrophobicContact CG1-CG 4.47Å; L730-L739 HydrophobicContact CB-CD2 4.05Å; L730-L739 HydrophobicContact CD2-CD2 4.03Å; I734-L739 HydrophobicContact CG2-CB 3.89Å; P735-L739 PolarHBondContact O-N 2.86Å; P735-L739 VanDerWaalsContact O-N 3.1Å; S736-L739 CarbonylContact O-C 3.59Å; L739-K741 PolarHBondContact O-N 3.1Å; L739-K741 PolarHBondContact O-NZ 2.81Å; L739-K741 VanDerWaalsContact O-NZ 3.1Å; L739-I743 HydrophobicContact CD1-CB 4.32Å; L739-I743 HydrophobicContact CD1-CD1 4.09Å; L739-I743 HydrophobicContact CD1-CG2 4.32Å; L739-I744 HydrophobicContact CD2-CD1 4.04Å; L739-I744 HydrophobicContact CD2-CG1 4.17Å; L739-I744 HydrophobicContact CG-CD1 4.49Å
740A95Very high95.9Very high15 Ų1523.8 Ų23.812%0.12411%0.11CC..  trans-62.4131.4177.700000110.8E574 S736 R742 I743E574-A740 HydrophobicContact CG-CB 3.66Å; S736-A740 WeakPolarHBondContact O-CA 3.49Å; S736-A740 PolarHBondContact O-N 3.43Å; S736-A740 VanDerWaalsContact O-N 3.14Å; A740-R742 VanDerWaalsContact C-N 3.28Å; A740-R742 HydrophobicContact CB-CG 4.18Å; A740-R742 PolarHBondContact O-N 3.07Å; A740-I743 HydrophobicContact CB-CD1 3.99Å; A740-I743 HydrophobicContact CB-CG1 4.43Å; A740-I743 VanDerWaalsContact O-CB 3.3Å; A740-I743 WeakPolarHBondContact O-CB 3.22Å; A740-I743 WeakPolarHBondContact O-CG1 3.4Å; A740-I743 PolarHBondContact O-N 3.13Å
741K96.2Very high96Very high13 Ų1323.8 Ų23.86%0.05711%0.11CC..Hα-helixtrans-68.3-26-169.4-51.4-57.4172.9-149.60114.7L730 E731 I734 L739 I743 I744 D745 R817L730-K741 PolarHBondContact O-NZ 2.79Å; E731-K741 WeakPolarHBondContact O-CE 3.19Å; I734-K741 PolarHBondContact O-NZ 3.5Å; L739-K741 PolarHBondContact O-N 3.1Å; L739-K741 PolarHBondContact O-NZ 2.81Å; L739-K741 VanDerWaalsContact O-NZ 3.1Å; K741-I743 PolarHBondContact O-N 3.01Å; K741-I743 VanDerWaalsContact O-N 3.07Å; K741-I744 HydrophobicContact CD-CD1 3.97Å; K741-I744 WeakPolarHBondContact O-CB 3.24Å; K741-I744 PolarHBondContact O-N 3.19Å; K741-D745 PolarHBondContact O-N 2.75Å; K741-R817 VanDerWaalsContact CB-NH2 3.27Å
742R95.4Very high96.1Very high140 Ų14028.3 Ų28.353%0.52813%0.132SC..Hα-helixtrans-52.8-28.7168.971.8-175.2-179.888.47113.7E574 A740 R746E574-R742 IonicContact OE2-CZ 3.31Å; E574-R742 IonicContact OE2-NH2 3.02Å; E574-R742 PolarHBondContact OE2-NH2 3.44Å; A740-R742 VanDerWaalsContact C-N 3.28Å; A740-R742 HydrophobicContact CB-CG 4.18Å; A740-R742 PolarHBondContact O-N 3.07Å; R742-R746 VanDerWaalsContact O-CB 3.29Å; R742-R746 WeakPolarHBondContact O-CB 3.4Å; R742-R746 PolarHBondContact O-N 2.68Å
743I96Very high96.2Very high0 Ų030.7 Ų30.70%015%0.152CC..Hα-helixtrans-72.9-36.7-179.6-60.6163.3000110.1E574 E639 F640 L739 A740 K741 R747E574-I743 WeakPolarHBondContact OE1-CD1 3.23Å; E639-I743 HydrophobicContact CB-CG2 3.92Å; E639-I743 HydrophobicContact CG-CG2 3.65Å; F640-I743 HydrophobicContact CD1-CG2 4.28Å; F640-I743 HydrophobicContact CE1-CG2 4.08Å; L739-I743 HydrophobicContact CD1-CB 4.32Å; L739-I743 HydrophobicContact CD1-CD1 4.09Å; L739-I743 HydrophobicContact CD1-CG2 4.32Å; A740-I743 HydrophobicContact CB-CD1 3.99Å; A740-I743 HydrophobicContact CB-CG1 4.43Å; A740-I743 VanDerWaalsContact O-CB 3.3Å; A740-I743 WeakPolarHBondContact O-CB 3.22Å; A740-I743 WeakPolarHBondContact O-CG1 3.4Å; A740-I743 PolarHBondContact O-N 3.13Å; K741-I743 PolarHBondContact O-N 3.01Å; K741-I743 VanDerWaalsContact O-N 3.07Å; I743-R747 PolarHBondContact O-N 3.37Å
744I97.5Very high96.4Very high0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-67.8-49.8174.2-55.1170.4000108.5F640 L730 E731 L739 K741 R746 R747 V748F640-I744 HydrophobicContact CE1-CG1 4.18Å; L730-I744 VanDerWaalsContact C-CD1 3.42Å; L730-I744 HydrophobicContact CB-CD1 3.73Å; L730-I744 HydrophobicContact CB-CG1 4.42Å; L730-I744 VanDerWaalsContact O-CD1 3.24Å; L730-I744 WeakPolarHBondContact O-CD1 3.42Å; E731-I744 HydrophobicContact CB-CD1 4.35Å; L739-I744 HydrophobicContact CD2-CD1 4.04Å; L739-I744 HydrophobicContact CD2-CG1 4.17Å; L739-I744 HydrophobicContact CG-CD1 4.49Å; K741-I744 HydrophobicContact CD-CD1 3.97Å; K741-I744 WeakPolarHBondContact O-CB 3.24Å; K741-I744 PolarHBondContact O-N 3.19Å; I744-R746 VanDerWaalsContact C-N 3.33Å; I744-R746 PolarHBondContact O-N 3.15Å; I744-R747 PolarHBondContact O-N 3.27Å; I744-V748 HydrophobicContact CG2-CG2 4.19Å; I744-V748 WeakPolarHBondContact O-CG2 3.39Å; I744-V748 PolarHBondContact O-N 3.5Å
745D97Very high96.5Very high38 Ų3832.4 Ų32.420%0.20317%0.168CC..Hα-helixtrans-54.4-48.2177.8-59-33.3000111.4R725 K741 R747 V748 Q749 R817R725-D745 IonicContact NH1-OD1 3.9Å; R725-D745 PolarHBondContact NH1-OD1 3.03Å; R725-D745 VanDerWaalsContact NH1-OD1 3.14Å; K741-D745 PolarHBondContact O-N 2.75Å; D745-R747 VanDerWaalsContact C-N 3.29Å; D745-R747 PolarHBondContact O-N 2.98Å; D745-V748 PolarHBondContact O-N 3.08Å; D745-Q749 WeakPolarHBondContact O-CB 3.37Å; D745-Q749 VanDerWaalsContact O-CG 3.27Å; D745-Q749 WeakPolarHBondContact O-CG 3.49Å; D745-Q749 PolarHBondContact O-N 3.06Å; D745-R817 IonicContact OD1-CZ 3.87Å; D745-R817 IonicContact OD1-NH1 2.84Å; D745-R817 IonicContact OD1-NH2 3.34Å; D745-R817 PolarHBondContact OD1-NH2 2.9Å; D745-R817 IonicContact OD2-CZ 3.07Å; D745-R817 IonicContact OD2-NH1 3.82Å; D745-R817 PolarHBondContact OD2-NH1 3.47Å; D745-R817 IonicContact OD2-NH2 2.98Å; D745-R817 PolarHBondContact OD2-NH2 3.32Å
746R97.1Very high96.6Very high52 Ų5232.7 Ų32.720%0.19617%0.17CC..Hα-helixtrans-55.1-41.6176.7-178.9178.170.7-173.8-2.7112.4E673 F676 R742 I744 L750E673-R746 IonicContact OE1-CZ 3.52Å; E673-R746 IonicContact OE1-NH2 2.91Å; E673-R746 PolarHBondContact OE1-NH2 3.46Å; E673-R746 IonicContact OE2-CZ 3.77Å; E673-R746 IonicContact OE2-NH1 3.43Å; E673-R746 PolarHBondContact OE2-NH1 3.38Å; E673-R746 IonicContact OE2-NH2 3.89Å; E673-R746 PolarHBondContact OE2-NH2 3.35Å; F676-R746 HydrophobicContact CD1-CG 4.36Å; F676-R746 HydrophobicContact CE1-CG 3.94Å; F676-R746 VanDerWaalsContact CE2-NH2 3.34Å; F676-R746 VanDerWaalsContact CG-CZ 3.41Å; F676-R746 HydrophobicContact CZ-CG 4.43Å; R742-R746 VanDerWaalsContact O-CB 3.29Å; R742-R746 WeakPolarHBondContact O-CB 3.4Å; R742-R746 PolarHBondContact O-N 2.68Å; I744-R746 VanDerWaalsContact C-N 3.33Å; I744-R746 PolarHBondContact O-N 3.15Å; R746-L750 PolarHBondContact O-N 2.86Å
747R97.4Very high96.8Very high18 Ų1840 Ų407%0.06820%0.195CC..Hα-helixtrans-74.4-41.5179.7176.754.766173.94.3111.9F637 E639 F640 I743 I744 D745 L750 M751F637-R747 HydrophobicContact CD1-CG 3.87Å; F637-R747 HydrophobicContact CE1-CG 3.92Å; E639-R747 VanDerWaalsContact CD-NH2 3.34Å; E639-R747 IonicContact OE1-CZ 3.9Å; E639-R747 IonicContact OE1-NE 2.81Å; E639-R747 PolarHBondContact OE1-NE 3.37Å; E639-R747 IonicContact OE1-NH2 3.65Å; E639-R747 PolarHBondContact OE1-NH2 3.07Å; E639-R747 IonicContact OE2-NH2 3.7Å; E639-R747 PolarHBondContact OE2-NH2 2.93Å; F640-R747 HydrophobicContact CE2-CG 4.45Å; F640-R747 HydrophobicContact CZ-CB 3.93Å; F640-R747 HydrophobicContact CZ-CG 4Å; I743-R747 PolarHBondContact O-N 3.37Å; I744-R747 PolarHBondContact O-N 3.27Å; D745-R747 VanDerWaalsContact C-N 3.29Å; D745-R747 PolarHBondContact O-N 2.98Å; R747-L750 WeakPolarHBondContact O-CB 3.46Å; R747-L750 PolarHBondContact O-N 3.37Å; R747-M751 HydrophobicContact CG-SD 4.18Å; R747-M751 WeakPolarHBondContact O-CG 3.47Å; R747-M751 PolarHBondContact O-N 3.18Å
748V97.8Very high97Very high15 Ų1541.2 Ų41.29%0.09120%0.2CC..Hα-helixtrans-61.4-47178.1173.80000110I726 I744 D745 L750 M751 E752 F758I726-V748 HydrophobicContact CB-CG1 4.22Å; I726-V748 HydrophobicContact CB-CG2 3.93Å; I726-V748 HydrophobicContact CG1-CG1 4.38Å; I726-V748 HydrophobicContact CG2-CG1 4.18Å; I726-V748 HydrophobicContact CG2-CG2 3.5Å; I726-V748 VanDerWaalsContact CG2-CG2 3.5Å; I744-V748 HydrophobicContact CG2-CG2 4.19Å; I744-V748 WeakPolarHBondContact O-CG2 3.39Å; I744-V748 PolarHBondContact O-N 3.5Å; D745-V748 PolarHBondContact O-N 3.08Å; V748-L750 VanDerWaalsContact C-N 3.29Å; V748-L750 PolarHBondContact O-N 2.83Å; V748-M751 PolarHBondContact O-N 2.83Å; V748-E752 HydrophobicContact CG1-CG 4.43Å; V748-E752 WeakPolarHBondContact O-CG 3.4Å; V748-E752 PolarHBondContact O-N 2.86Å; V748-F758 HydrophobicContact CG1-CD2 3.97Å; V748-F758 HydrophobicContact CG1-CE2 3.86Å; V748-F758 HydrophobicContact CG1-CZ 4.43Å
749Q97.6Very high97.2Very high124 Ų12441.7 Ų41.758%0.57921%0.205SC*.Hα-helixtrans-57.3-40.7175.3-72.5170.6-1.800112.6D745 E752 A753D745-Q749 WeakPolarHBondContact O-CB 3.37Å; D745-Q749 VanDerWaalsContact O-CG 3.27Å; D745-Q749 WeakPolarHBondContact O-CG 3.49Å; D745-Q749 PolarHBondContact O-N 3.06Å; Q749-E752 PolarHBondContact O-N 2.96Å; Q749-A753 WeakPolarHBondContact O-CB 3.39Å; Q749-A753 PolarHBondContact O-N 3.44Å
750L97.4Very high97.3Very high17 Ų1744 Ų449%0.08922%0.219CC..Hα-helixtrans-61.6-45.6175.3-166.186.6000111.2V681 P683 R746 R747 V748 A753 E754V681-L750 HydrophobicContact CG1-CD1 4.33Å; V681-L750 HydrophobicContact CG1-CD2 3.8Å; P683-L750 HydrophobicContact CG-CD1 3.86Å; R746-L750 PolarHBondContact O-N 2.86Å; R747-L750 WeakPolarHBondContact O-CB 3.46Å; R747-L750 PolarHBondContact O-N 3.37Å; V748-L750 VanDerWaalsContact C-N 3.29Å; V748-L750 PolarHBondContact O-N 2.83Å; L750-A753 PolarHBondContact O-N 3.4Å; L750-E754 VanDerWaalsContact O-CG 3.32Å; L750-E754 WeakPolarHBondContact O-CG 3.44Å; L750-E754 PolarHBondContact O-N 3.09Å
751M98.1Very high97.3Very high1 Ų148 Ų481%0.00524%0.238CC..Hα-helixtrans-67.6-36.3179.8-69.7174.368.700112.4F637 L704 A707 A708 R747 V748 E754 G755 V756 F758F637-M751 HydrophobicContact CE1-SD 4.17Å; F637-M751 HydrophobicContact CZ-SD 4.29Å; L704-M751 HydrophobicContact CB-CE 4.27Å; L704-M751 HydrophobicContact CB-SD 4.48Å; L704-M751 HydrophobicContact CD2-CE 4.03Å; L704-M751 HydrophobicContact CD2-SD 4.22Å; L704-M751 VanDerWaalsContact O-CE 3.31Å; L704-M751 WeakPolarHBondContact O-CE 3.48Å; A707-M751 HydrophobicContact CB-CE 3.84Å; A708-M751 HydrophobicContact CB-CE 4.12Å; R747-M751 HydrophobicContact CG-SD 4.18Å; R747-M751 WeakPolarHBondContact O-CG 3.47Å; R747-M751 PolarHBondContact O-N 3.18Å; V748-M751 PolarHBondContact O-N 2.83Å; M751-E754 WeakPolarHBondContact O-CB 3.47Å; M751-E754 PolarHBondContact O-N 2.76Å; M751-G755 PolarHBondContact O-N 3.47Å; M751-V756 HydrophobicContact CB-CB 4.32Å; M751-V756 HydrophobicContact CB-CG2 4.3Å; M751-V756 HydrophobicContact CE-CG2 4.44Å; M751-V756 WeakPolarHBondContact O-CB 3.48Å; M751-V756 PolarHBondContact O-N 2.93Å; M751-F758 HydrophobicContact CB-CE2 4.09Å; M751-F758 HydrophobicContact CB-CZ 4.16Å; M751-F758 HydrophobicContact CE-CZ 3.97Å; M751-F758 HydrophobicContact SD-CZ 4.37Å
752E98.2Very high97.3Very high97 Ų9749.3 Ų49.345%0.45325%0.245SC..Hα-helixtrans-62.3-45.1172-73.2177.3139.600111V748 Q749 E754 G755 F758V748-E752 HydrophobicContact CG1-CG 4.43Å; V748-E752 WeakPolarHBondContact O-CG 3.4Å; V748-E752 PolarHBondContact O-N 2.86Å; Q749-E752 PolarHBondContact O-N 2.96Å; E752-E754 PolarHBondContact O-N 3.43Å; E752-G755 WeakPolarHBondContact O-CA 3.47Å; E752-G755 PolarHBondContact O-N 3.22Å; E752-F758 HydrophobicContact CG-CD2 3.48Å; E752-F758 VanDerWaalsContact CG-CD2 3.48Å; E752-F758 HydrophobicContact CG-CE2 3.73Å
753A97.7Very high97.2Very high54 Ų5445 Ų4545%0.44623%0.231SC..Hα-helixtrans-64.2-26.5175.500000112.9P683 V685 Q749 L750 G755P683-A753 HydrophobicContact CB-CB 3.77Å; P683-A753 HydrophobicContact CG-CB 3.54Å; V685-A753 WeakPolarHBondContact CG2-O 3.35Å; Q749-A753 WeakPolarHBondContact O-CB 3.39Å; Q749-A753 PolarHBondContact O-N 3.44Å; L750-A753 PolarHBondContact O-N 3.4Å; A753-G755 VanDerWaalsContact C-N 3.26Å
754E97.5Very high97.1Very high25 Ų2545.7 Ų45.712%0.11724%0.235CC..THydrogen-bonded Turntrans-77.2-9.9171-70.1171.7176.800113.3P683 E684 P686 R689 N711 L750 M751 E752P683-E754 HydrophobicContact CB-CG 4.01Å; E684-E754 PolarHBondContact N-OE1 3.01Å; P686-E754 WeakPolarHBondContact CD-O 3.47Å; R689-E754 PolarHBondContact NH2-O 2.91Å; N711-E754 WeakPolarHBondContact ND2-CB 3.44Å; N711-E754 PolarHBondContact ND2-O 3.04Å; L750-E754 VanDerWaalsContact O-CG 3.32Å; L750-E754 WeakPolarHBondContact O-CG 3.44Å; L750-E754 PolarHBondContact O-N 3.09Å; M751-E754 WeakPolarHBondContact O-CB 3.47Å; M751-E754 PolarHBondContact O-N 2.76Å; E752-E754 PolarHBondContact O-N 3.43Å
755G97.1Very high96.7Very high37 Ų3746 Ų4638%0.38124%0.238SC..THydrogen-bonded Turntrans99.715.4176.700000115.6M751 E752 A753M751-G755 PolarHBondContact O-N 3.47Å; E752-G755 WeakPolarHBondContact O-CA 3.47Å; E752-G755 PolarHBondContact O-N 3.22Å; A753-G755 VanDerWaalsContact C-N 3.26Å
756V98.4Very high96.4Very high5 Ų550.8 Ų50.83%0.0326%0.257CS..PPolyproline II helixtrans-75.5127.5169.5-178.80000109.1A707 N711 V719 M751 F758A707-V756 HydrophobicContact CB-CG1 4.09Å; N711-V756 HydrophobicContact CB-CG2 3.74Å; V719-V756 HydrophobicContact CG2-CG1 3.93Å; M751-V756 HydrophobicContact CB-CB 4.32Å; M751-V756 HydrophobicContact CB-CG2 4.3Å; M751-V756 HydrophobicContact CE-CG2 4.44Å; M751-V756 WeakPolarHBondContact O-CB 3.48Å; M751-V756 PolarHBondContact O-N 2.93Å; V756-F758 HydrophobicContact CB-CE2 4.22Å; V756-F758 HydrophobicContact CB-CZ 4.36Å; V756-F758 HydrophobicContact CG1-CE1 4.12Å; V756-F758 HydrophobicContact CG1-CE2 3.92Å; V756-F758 HydrophobicContact CG1-CZ 3.7Å
757R98.2Very high96.2Very high169 Ų16952.7 Ų52.764%0.63827%0.271SS*.EExtended strand (participates in β ladder)trans-93.6124.3176-176177178.4177.2-0.8110.4V717 V718 V719 V759V717-R757 PolarHBondContact O-N 2.95Å; V717-R757 VanDerWaalsContact O-N 3.13Å; V718-R757 CarbonylContact C-O 3.37Å; V718-R757 WeakPolarHBondContact CA-O 3.25Å; V718-R757 HydrophobicContact CG1-CB 4.44Å; V718-R757 HydrophobicContact CG1-CG 4.4Å; V718-R757 HydrophobicContact CG2-CB 4.31Å; V719-R757 PolarHBondContact N-O 3.46Å; R757-V759 HydrophobicContact CG-CG2 4.32Å
758F98.3Very high95.8Very high26 Ų2653.6 Ų53.611%0.11428%0.277CS..EExtended strand (participates in β ladder)trans-99.7138.6170.5-64.7-76.1000110.6L704 V719 I726 V748 M751 E752 V756L704-F758 HydrophobicContact CD2-CE1 3.63Å; L704-F758 HydrophobicContact CD2-CZ 3.92Å; V719-F758 HydrophobicContact CB-CD1 3.63Å; V719-F758 HydrophobicContact CB-CE1 3.82Å; V719-F758 HydrophobicContact CG1-CD1 4.03Å; V719-F758 HydrophobicContact CG1-CE1 4.12Å; V719-F758 HydrophobicContact CG2-CD1 4.11Å; V719-F758 HydrophobicContact CG2-CE1 3.82Å; I726-F758 HydrophobicContact CB-CD1 4.47Å; I726-F758 HydrophobicContact CD1-CB 3.87Å; I726-F758 HydrophobicContact CD1-CD1 3.62Å; I726-F758 HydrophobicContact CD1-CG 4Å; I726-F758 HydrophobicContact CG1-CB 3.92Å; I726-F758 HydrophobicContact CG1-CD1 3.74Å; I726-F758 HydrophobicContact CG1-CE1 4.47Å; I726-F758 HydrophobicContact CG1-CG 3.84Å; I726-F758 HydrophobicContact CG2-CD1 3.85Å; I726-F758 HydrophobicContact CG2-CE1 3.74Å; I726-F758 HydrophobicContact CG2-CZ 4.31Å; V748-F758 HydrophobicContact CG1-CD2 3.97Å; V748-F758 HydrophobicContact CG1-CE2 3.86Å; V748-F758 HydrophobicContact CG1-CZ 4.43Å; M751-F758 HydrophobicContact CB-CE2 4.09Å; M751-F758 HydrophobicContact CB-CZ 4.16Å; M751-F758 HydrophobicContact CE-CZ 3.97Å; M751-F758 HydrophobicContact SD-CZ 4.37Å; E752-F758 HydrophobicContact CG-CD2 3.48Å; E752-F758 VanDerWaalsContact CG-CD2 3.48Å; E752-F758 HydrophobicContact CG-CE2 3.73Å; V756-F758 HydrophobicContact CB-CE2 4.22Å; V756-F758 HydrophobicContact CB-CZ 4.36Å; V756-F758 HydrophobicContact CG1-CE1 4.12Å; V756-F758 HydrophobicContact CG1-CE2 3.92Å; V756-F758 HydrophobicContact CG1-CZ 3.7Å
759V97.7Very high95.3Very high29 Ų2956.7 Ų56.718%0.17630%0.298CS..EExtended strand (participates in β ladder)trans-128.8104.4175-172.30000107.2V718 V719 Y720 E721 R757 I762V718-V759 HydrophobicContact CG1-CG2 3.7Å; V719-V759 PolarHBondContact O-N 2.98Å; Y720-V759 WeakPolarHBondContact CA-O 3.2Å; Y720-V759 HydrophobicContact CD1-CB 4.13Å; Y720-V759 HydrophobicContact CD1-CG1 4.4Å; Y720-V759 HydrophobicContact CE1-CB 4.43Å; Y720-V759 HydrophobicContact CE1-CG2 4.48Å; E721-V759 PolarHBondContact N-O 2.74Å; R757-V759 HydrophobicContact CG-CG2 4.32Å; V759-I762 HydrophobicContact CG1-CD1 3.35Å; V759-I762 HydrophobicContact CG1-CG1 4Å
760T97.2Very high94.9Very high48 Ų4850.9 Ų50.929%0.29427%0.271SS..  trans-88.7172.3179.558.90000111.1E721 S723 I726 I762E721-T760 CarbonylContact O-C 3.23Å; E721-T760 VanDerWaalsContact O-C 3.23Å; E721-T760 VanDerWaalsContact O-CA 3.31Å; E721-T760 WeakPolarHBondContact O-CA 3.38Å; S723-T760 VanDerWaalsContact O-CB 3.29Å; S723-T760 WeakPolarHBondContact O-CB 3.46Å; I726-T760 HydrophobicContact CD1-CG2 3.67Å; I726-T760 HydrophobicContact CG1-CG2 4.07Å; T760-I762 PolarHBondContact O-N 3.06Å; T760-I762 VanDerWaalsContact O-N 3.15Å
761D96.3Very high94.4Very high99 Ų9954.8 Ų54.853%0.52929%0.292SS..SBendtrans58.527.8174.9-53.5-75.7000113.6E721 S723 N724E721-D761 PolarHBondContact O-N 2.8Å; S723-D761 PolarHBondContact O-N 3.04Å; S723-D761 VanDerWaalsContact O-N 3.13Å; N724-D761 VanDerWaalsContact CA-OD1 3.27Å; N724-D761 WeakPolarHBondContact CA-OD1 3.41Å; N724-D761 WeakPolarHBondContact CB-OD1 3.46Å
762I94.5Very high94Very high41 Ų4158.2 Ų58.221%0.2131%0.31CS..  trans-128.4114.9178.3-65.6-167.7000110.2Y720 E721 R722 V759 T760 D767 I768Y720-I762 HydrophobicContact CD1-CG2 4.3Å; E721-I762 CarbonylContact C-O 3.58Å; E721-I762 PolarHBondContact O-N 2.87Å; E721-I762 VanDerWaalsContact O-N 3.1Å; R722-I762 WeakPolarHBondContact CA-O 3.26Å; R722-I762 PolarHBondContact N-O 3.45Å; V759-I762 HydrophobicContact CG1-CD1 3.35Å; V759-I762 HydrophobicContact CG1-CG1 4Å; T760-I762 PolarHBondContact O-N 3.06Å; T760-I762 VanDerWaalsContact O-N 3.15Å; I762-D767 HydrophobicContact CG2-CB 4.31Å; I762-I768 HydrophobicContact CD1-CD1 4.16Å; I762-I768 HydrophobicContact CG2-CD1 3.54Å; I762-I768 HydrophobicContact CG2-CG1 3.74Å
763E94.5Very high93.7Very high50 Ų5053.8 Ų53.823%0.23429%0.289CS..  trans-92.4103.8172-174.8160.5-141.400110.7R722 G765 K766 D767R722-E763 HydrophobicContact CB-CB 4.04Å; R722-E763 HydrophobicContact CB-CG 4.41Å; R722-E763 IonicContact NH1-OE1 3.58Å; E763-G765 PolarHBondContact O-N 3.5Å; E763-K766 HydrophobicContact CB-CB 4.16Å; E763-K766 HydrophobicContact CG-CB 4.02Å; E763-K766 PolarHBondContact O-N 3.08Å; E763-K766 WeakPolarHBondContact OE2-CD 3.28Å; E763-K766 IonicContact OE2-NZ 3.22Å; E763-D767 WeakPolarHBondContact CA-OD2 3.29Å; E763-D767 WeakPolarHBondContact CB-OD2 3.34Å; E763-D767 PolarHBondContact N-OD2 2.85Å; E763-D767 PolarHBondContact O-N 2.94Å
764V93.1Very high93.4Very high14 Ų1452.2 Ų52.29%0.08527%0.274CS..BIsolated β-bridgetrans-63.8128.9175.9179.30000110.1V697 Y720 L773 L966V697-V764 HydrophobicContact CG1-CB 3.77Å; V697-V764 HydrophobicContact CG1-CG1 4.35Å; V697-V764 HydrophobicContact CG1-CG2 3.81Å; V697-V764 HydrophobicContact CG2-CB 4.39Å; V697-V764 HydrophobicContact CG2-CG1 4.25Å; V697-V764 HydrophobicContact CG2-CG2 4.13Å; Y720-V764 HydrophobicContact CD1-CG2 4.49Å; Y720-V764 HydrophobicContact CG-CG2 4.17Å; V764-L773 HydrophobicContact CG1-CD2 3.67Å; V764-L773 HydrophobicContact CG2-CD2 4.14Å; V764-L966 HydrophobicContact CG1-CD1 3.95Å
765G89.1Confident93.2Very high6 Ų657.9 Ų57.96%0.06230%0.302CS..THydrogen-bonded Turntrans97.1-12.8-17200000113.6E763 I768 Q965 Q969E763-G765 PolarHBondContact O-N 3.5Å; G765-I768 WeakPolarHBondContact CA-O 3.25Å; G765-I768 PolarHBondContact N-O 3.47Å; G765-Q965 PolarHBondContact O-NE2 2.81Å; G765-Q969 PolarHBondContact O-NE2 3.13Å
766K91.4Very high93Very high140 Ų14060.7 Ų60.761%0.60931%0.305SS*.THydrogen-bonded Turntrans-116.7-60.2173.3-175.4-175176.8-1720111.3E763E763-K766 HydrophobicContact CB-CB 4.16Å; E763-K766 HydrophobicContact CG-CB 4.02Å; E763-K766 PolarHBondContact O-N 3.08Å; E763-K766 WeakPolarHBondContact OE2-CD 3.28Å; E763-K766 IonicContact OE2-NZ 3.22Å
767D92.4Very high92.9Very high91 Ų9161 Ų6149%0.48731%0.307SS..THydrogen-bonded Turntrans-85.9-33.6-177.4-53.5-50000111.8I762 E763I762-D767 HydrophobicContact CG2-CB 4.31Å; E763-D767 WeakPolarHBondContact CA-OD2 3.29Å; E763-D767 WeakPolarHBondContact CB-OD2 3.34Å; E763-D767 PolarHBondContact N-OD2 2.85Å; E763-D767 PolarHBondContact O-N 2.94Å
768I89Confident92.8Very high37 Ų3755.4 Ų55.419%0.1929%0.289CS..BIsolated β-bridgetrans-118.7122.4171.9-60.3-179.9000108.7Y720 I762 G765 S770 L773Y720-I768 HydrophobicContact CD1-CD1 4.07Å; Y720-I768 HydrophobicContact CE1-CD1 3.76Å; I762-I768 HydrophobicContact CD1-CD1 4.16Å; I762-I768 HydrophobicContact CG2-CD1 3.54Å; I762-I768 HydrophobicContact CG2-CG1 3.74Å; G765-I768 WeakPolarHBondContact CA-O 3.25Å; G765-I768 PolarHBondContact N-O 3.47Å; I768-S770 PolarHBondContact O-N 3.44Å; I768-L773 HydrophobicContact CG2-CB 4.45Å
769P88.2Confident92.7Very high80 Ų8054.1 Ų54.152%0.51928%0.284SS..  trans-56.4124.5172.9-24.834.2000111.1N771 L772 L773P769-N771 VanDerWaalsContact C-N 3.27Å; P769-N771 PolarHBondContact O-N 3.4Å; P769-L772 HydrophobicContact CB-CB 4.24Å; P769-L772 WeakPolarHBondContact O-CB 3.21Å; P769-L772 PolarHBondContact O-N 3.1Å; P769-L773 PolarHBondContact O-N 2.87Å
770S88.7Confident92.7Very high3 Ų352.8 Ų52.82%0.02128%0.276CS..Hα-helixtrans-58.1-37-175.154.20000113.4I768 L772 L773 V774 L966 Q969I768-S770 PolarHBondContact O-N 3.44Å; S770-L772 VanDerWaalsContact C-N 3.34Å; S770-L772 PolarHBondContact O-N 3.22Å; S770-L773 WeakPolarHBondContact O-CB 3.31Å; S770-L773 PolarHBondContact O-N 2.86Å; S770-V774 WeakPolarHBondContact O-CG2 3.49Å; S770-V774 PolarHBondContact O-N 3Å; S770-V774 VanDerWaalsContact O-N 3.1Å; S770-L966 VanDerWaalsContact CB-CD1 3.41Å; S770-Q969 VanDerWaalsContact OG-CB 3.24Å; S770-Q969 WeakPolarHBondContact OG-CB 3.44Å; S770-Q969 PolarHBondContact OG-OE1 3.1Å
771N87.5Confident92.7Very high98 Ų9850.5 Ų50.552%0.52426%0.262SS..Hα-helixtrans-63.5-36.1175.4-70.3-35.2000113.2P769 V774 M775P769-N771 VanDerWaalsContact C-N 3.27Å; P769-N771 PolarHBondContact O-N 3.4Å; N771-V774 PolarHBondContact O-N 2.84Å; N771-M775 VanDerWaalsContact O-CG 3.3Å; N771-M775 WeakPolarHBondContact O-CG 3.5Å; N771-M775 PolarHBondContact O-N 3.29Å
772L90.2Very high92.7Very high73 Ų7345.9 Ų45.938%0.38224%0.237SC..Hα-helixtrans-65.5-44.7176.7-178.165.9000110.2P769 S770 V774 M775 E776P769-L772 HydrophobicContact CB-CB 4.24Å; P769-L772 WeakPolarHBondContact O-CB 3.21Å; P769-L772 PolarHBondContact O-N 3.1Å; S770-L772 VanDerWaalsContact C-N 3.34Å; S770-L772 PolarHBondContact O-N 3.22Å; L772-V774 VanDerWaalsContact C-N 3.27Å; L772-V774 PolarHBondContact O-N 2.83Å; L772-M775 PolarHBondContact O-N 2.82Å; L772-E776 HydrophobicContact CD1-CG 4.23Å; L772-E776 HydrophobicContact CG-CG 4.47Å; L772-E776 WeakPolarHBondContact O-CG 3.35Å; L772-E776 PolarHBondContact O-N 2.75Å
773L91.3Very high92.8Very high4 Ų444.3 Ų44.32%0.02123%0.23CC..Hα-helixtrans-57.7-42.5176.5-171.571.8000111.5A695 V697 Y720 V764 I768 P769 S770 N777 V780A695-L773 HydrophobicContact CB-CD1 3.75Å; A695-L773 HydrophobicContact CB-CD2 4.14Å; A695-L773 HydrophobicContact CB-CG 3.93Å; V697-L773 HydrophobicContact CG2-CD2 3.58Å; Y720-L773 HydrophobicContact CD2-CD1 4.22Å; Y720-L773 HydrophobicContact CE1-CD1 4.38Å; Y720-L773 HydrophobicContact CE2-CD1 3.6Å; V764-L773 HydrophobicContact CG1-CD2 3.67Å; V764-L773 HydrophobicContact CG2-CD2 4.14Å; I768-L773 HydrophobicContact CG2-CB 4.45Å; P769-L773 PolarHBondContact O-N 2.87Å; S770-L773 WeakPolarHBondContact O-CB 3.31Å; S770-L773 PolarHBondContact O-N 2.86Å; L773-N777 PolarHBondContact O-N 2.97Å; L773-N777 PolarHBondContact O-ND2 2.74Å; L773-V780 HydrophobicContact CD2-CG1 4.05Å; L773-V780 HydrophobicContact CG-CG2 4.47Å
774V91.9Very high92.9Very high21 Ų2143.8 Ų43.813%0.12723%0.228CC..Hα-helixtrans-64.5-44.8174.8176.70000110.9S770 N771 L772 E776 N777 V780 L970 K993 L994S770-V774 WeakPolarHBondContact O-CG2 3.49Å; S770-V774 PolarHBondContact O-N 3Å; S770-V774 VanDerWaalsContact O-N 3.1Å; N771-V774 PolarHBondContact O-N 2.84Å; L772-V774 VanDerWaalsContact C-N 3.27Å; L772-V774 PolarHBondContact O-N 2.83Å; V774-E776 PolarHBondContact O-N 3.27Å; V774-N777 VanDerWaalsContact O-O 3.13Å; V774-V780 HydrophobicContact CG2-CG2 4.16Å; V774-L970 HydrophobicContact CG2-CD2 3.7Å; V774-K993 HydrophobicContact CG1-CG 4.26Å; V774-K993 WeakPolarHBondContact O-CE 3.44Å; V774-K993 PolarHBondContact O-NZ 2.75Å; V774-L994 HydrophobicContact CG2-CD1 4.4Å; V774-L994 HydrophobicContact CG2-CD2 3.62Å; V774-L994 HydrophobicContact CG2-CG 4.25Å
775M91.3Very high93Very high144 Ų14444 Ų4471%0.70923%0.234SC*.Hα-helixtrans-60.2-45.1-179.8-75.8174.864.200112.6N771 L772 N777 K993N771-M775 VanDerWaalsContact O-CG 3.3Å; N771-M775 WeakPolarHBondContact O-CG 3.5Å; N771-M775 PolarHBondContact O-N 3.29Å; L772-M775 PolarHBondContact O-N 2.82Å; M775-N777 PolarHBondContact O-N 3.49Å; M775-K993 PolarHBondContact O-NZ 3.46Å
776E93.4Very high93.2Very high96 Ų9644.3 Ų44.345%0.44923%0.234SC..Hα-helixtrans-75.3-21.4-174-68.4-176.6169.500114.2R693 L772 V774R693-E776 VanDerWaalsContact CZ-O 3.24Å; R693-E776 PolarHBondContact NE-O 3.36Å; R693-E776 PolarHBondContact NH2-O 3.45Å; L772-E776 HydrophobicContact CD1-CG 4.23Å; L772-E776 HydrophobicContact CG-CG 4.47Å; L772-E776 WeakPolarHBondContact O-CG 3.35Å; L772-E776 PolarHBondContact O-N 2.75Å; V774-E776 PolarHBondContact O-N 3.27Å
777N95.7Very high93.2Very high11 Ų1139.4 Ų39.46%0.05922%0.216CC..SBendtrans-107.2150-176-66.4-82.8000112A695 L773 V774 M775 A779 V780 K993A695-N777 HydrophobicContact CB-CB 4.25Å; L773-N777 PolarHBondContact O-N 2.97Å; L773-N777 PolarHBondContact O-ND2 2.74Å; V774-N777 VanDerWaalsContact O-O 3.13Å; M775-N777 PolarHBondContact O-N 3.49Å; N777-A779 VanDerWaalsContact C-N 3.3Å; N777-A779 WeakPolarHBondContact CB-O 2.95Å; N777-V780 HydrophobicContact CB-CG2 4.05Å; N777-K993 WeakPolarHBondContact O-CD 3.36Å; N777-K993 PolarHBondContact O-NZ 2.89Å
778D96.4Very high93.2Very high52 Ų5240 Ų4028%0.27821%0.214SC..SBendtrans-72.3-28.8174.8-65.2-79.4000111.4K692 R693 K993 L1025K692-D778 VanDerWaalsContact CA-OD2 3.31Å; K692-D778 WeakPolarHBondContact CA-OD2 3.48Å; K692-D778 HydrophobicContact CB-CB 4.44Å; K692-D778 HydrophobicContact CD-CB 4.3Å; K692-D778 IonicContact NZ-OD1 3.15Å; R693-D778 PolarHBondContact N-OD2 3.28Å; R693-D778 WeakPolarHBondContact O-CB 3.26Å; R693-D778 PolarHBondContact O-N 3.33Å; D778-K993 WeakPolarHBondContact O-CB 3.42Å; D778-K993 WeakPolarHBondContact O-CD 3.27Å; D778-L1025 HydrophobicContact CB-CD1 4.49Å; D778-L1025 HydrophobicContact CB-CD2 3.78Å
779A96.9Very high93.3Very high0 Ų040.3 Ų40.30%022%0.219CC..EExtended strand (participates in β ladder)trans-148.4151.8170.400000111.3R693 I694 A695 N777 K993 F995 I1021 L1025R693-A779 PolarHBondContact O-N 3.09Å; I694-A779 WeakPolarHBondContact CA-O 3.34Å; I694-A779 HydrophobicContact CG1-CB 4.05Å; I694-A779 HydrophobicContact CG2-CB 4.46Å; A695-A779 PolarHBondContact N-O 3.17Å; A695-A779 VanDerWaalsContact N-O 3.1Å; N777-A779 VanDerWaalsContact C-N 3.3Å; N777-A779 WeakPolarHBondContact CB-O 2.95Å; A779-K993 WeakPolarHBondContact CA-O 3.38Å; A779-F995 HydrophobicContact CB-CD2 4.48Å; A779-F995 HydrophobicContact CB-CE2 4.22Å; A779-I1021 HydrophobicContact CB-CG2 3.83Å; A779-L1025 HydrophobicContact CB-CD1 4.3Å
780V96.8Very high93.6Very high1 Ų143 Ų431%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-129131.5172.4-176.30000109.8A695 V697 L773 V774 N777 L782 K993 L994 F995A695-V780 HydrophobicContact CB-CG1 4.3Å; A695-V780 HydrophobicContact CB-CG2 4.21Å; A695-V780 CarbonylContact O-C 3.48Å; A695-V780 VanDerWaalsContact O-CA 3.25Å; A695-V780 WeakPolarHBondContact O-CA 3.37Å; V697-V780 HydrophobicContact CG2-CG1 4.13Å; L773-V780 HydrophobicContact CD2-CG1 4.05Å; L773-V780 HydrophobicContact CG-CG2 4.47Å; V774-V780 HydrophobicContact CG2-CG2 4.16Å; N777-V780 HydrophobicContact CB-CG2 4.05Å; V780-L782 HydrophobicContact CG1-CD2 4.31Å; V780-K993 PolarHBondContact N-O 3.49Å; V780-L994 HydrophobicContact CB-CD2 4.01Å; V780-L994 HydrophobicContact CG1-CD2 4.46Å; V780-F995 PolarHBondContact O-N 3.08Å
781L97.6Very high93.8Very high0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-110.3125.6175.3178.263.7000110.5A695 I696 V697 A706 F995 A997 A1017 I1021A695-L781 PolarHBondContact O-N 2.73Å; I696-L781 CarbonylContact C-O 3.59Å; I696-L781 WeakPolarHBondContact CA-O 3.36Å; I696-L781 HydrophobicContact CG1-CB 4.21Å; I696-L781 HydrophobicContact CG1-CD2 4.47Å; I696-L781 HydrophobicContact CG2-CD2 4.4Å; V697-L781 PolarHBondContact N-O 3.33Å; A706-L781 HydrophobicContact CB-CD2 3.32Å; L781-F995 CarbonylContact C-O 3.41Å; L781-F995 WeakPolarHBondContact CA-O 3.41Å; L781-F995 HydrophobicContact CD1-CB 3.67Å; L781-A997 HydrophobicContact CD1-CB 3.87Å; L781-A1017 HydrophobicContact CD1-CB 3.9Å; L781-A1017 HydrophobicContact CD2-CB 4.37Å; L781-I1021 HydrophobicContact CB-CD1 4.07Å; L781-I1021 HydrophobicContact CD1-CD1 4.4Å; L781-I1021 HydrophobicContact CD2-CD1 4.45Å
782L96.9Very high94.2Very high2 Ų242.7 Ų42.71%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-92.7119.2172.3-55-175.9000109.8V697 V780 L966 L970 L972 I980 F995 A996 A997 C1000V697-L782 HydrophobicContact CB-CD2 3.97Å; V697-L782 HydrophobicContact CG2-CD2 3.89Å; V780-L782 HydrophobicContact CG1-CD2 4.31Å; L782-L966 HydrophobicContact CD2-CD2 3.76Å; L782-L966 HydrophobicContact CD2-CG 4.5Å; L782-L970 HydrophobicContact CD1-CD1 3.86Å; L782-L970 HydrophobicContact CD2-CD1 4.28Å; L782-L972 HydrophobicContact CD1-CD1 3.44Å; L782-L972 VanDerWaalsContact CD1-CD1 3.44Å; L782-I980 HydrophobicContact CB-CD1 4.23Å; L782-I980 HydrophobicContact CD1-CD1 3.95Å; L782-F995 PolarHBondContact N-O 3.37Å; L782-A996 HydrophobicContact CB-CB 4.4Å; L782-A996 WeakPolarHBondContact O-CA 3.14Å; L782-A997 PolarHBondContact O-N 3.09Å; L782-C1000 PolarHBondContact O-SG 3.41Å; L782-C1000 VanDerWaalsContact O-SG 3.39Å
783S97.2Very high94.3Very high8 Ų848 Ų486%0.05624%0.237CC..  trans-135.142.7176.648.40000111.2I696 V697 G698 G703 G785I696-S783 WeakPolarHBondContact CG2-OG 3.49Å; V697-S783 CarbonylContact O-C 3.5Å; V697-S783 VanDerWaalsContact O-C 3.26Å; V697-S783 WeakPolarHBondContact O-CA 3.28Å; V697-S783 PolarHBondContact O-N 3.07Å; V697-S783 PolarHBondContact O-OG 3.13Å; V697-S783 VanDerWaalsContact O-OG 3.06Å; G698-S783 PolarHBondContact O-OG 3.23Å; G703-S783 VanDerWaalsContact CA-OG 3.25Å; G703-S783 WeakPolarHBondContact CA-OG 3.37Å; S783-G785 PolarHBondContact O-N 2.7Å
784I95.8Very high94.5Very high38 Ų3849.2 Ų49.220%0.19524%0.243CC..  trans-76.4-1.9-171.460.6176.3000114.8V697 P962 L966 C1000V697-I784 HydrophobicContact CB-CG2 4.22Å; V697-I784 HydrophobicContact CG1-CG2 3.7Å; V697-I784 PolarHBondContact O-N 3.27Å; I784-P962 HydrophobicContact CD1-CB 3.85Å; I784-P962 HydrophobicContact CG1-CB 4.16Å; I784-L966 HydrophobicContact CD1-CD2 4.35Å; I784-L966 HydrophobicContact CG2-CD2 4.13Å; I784-C1000 HydrophobicContact CG1-CB 3.69Å
785G94.9Very high94.8Very high20 Ų2052.6 Ų52.621%0.20627%0.265CS..  trans69.6-170.5-17900000114.6S783 P962 C1000S783-G785 PolarHBondContact O-N 2.7Å; G785-P962 WeakPolarHBondContact O-CB 3.4Å; G785-C1000 WeakPolarHBondContact O-CA 3.45Å; G785-C1000 VanDerWaalsContact O-CB 3.25Å; G785-C1000 WeakPolarHBondContact O-CB 3.46Å
786T93.5Very high95Very high12 Ų1246.1 Ų46.17%0.07424%0.236CC..  trans-110.689177.5-52.20000108.1F959 G961 D999T786-F959 HydrophobicContact CG2-CB 3.46Å; T786-F959 VanDerWaalsContact CG2-CB 3.46Å; T786-F959 WeakPolarHBondContact O-CB 3.49Å; T786-F959 WeakPolarHBondContact O-CD1 3.38Å; T786-F959 VanDerWaalsContact O-CG 3.31Å; T786-F959 WeakPolarHBondContact O-CG 3.36Å; T786-G961 CarbonylContact C-O 3.51Å; T786-G961 VanDerWaalsContact CG2-C 3.42Å; T786-G961 VanDerWaalsContact CG2-CA 3.4Å; T786-G961 WeakPolarHBondContact CG2-O 3.33Å; T786-D999 VanDerWaalsContact OG1-C 3.3Å; T786-D999 PolarHBondContact OG1-O 2.75Å
787T90.6Very high95.2Very high37 Ų3743.6 Ų43.623%0.22722%0.222CC..  trans-91.2-18.7-165.350.80000114.3R722 P789 G961 E963R722-T787 VanDerWaalsContact NH2-CG2 3.31Å; T787-P789 VanDerWaalsContact O-CD 3.27Å; T787-P789 WeakPolarHBondContact O-CD 3.21Å; T787-G961 PolarHBondContact N-O 2.79Å; T787-E963 WeakPolarHBondContact CB-OE2 3.19Å; T787-E963 VanDerWaalsContact OG1-CD 3.29Å; T787-E963 VanDerWaalsContact OG1-CG 3.31Å; T787-E963 WeakPolarHBondContact OG1-CG 3.29Å; T787-E963 PolarHBondContact OG1-N 3.1Å; T787-E963 PolarHBondContact OG1-OE2 3.35Å
788K92.4Very high95.1Very high103 Ų10350.4 Ų50.445%0.44825%0.253SS..EExtended strand (participates in β ladder)trans-81.2110.4-177.5-171.6175172.1-176.40111F959 V960 G961K788-F959 CarbonylContact O-C 3.59Å; K788-F959 VanDerWaalsContact O-CA 3.29Å; K788-F959 WeakPolarHBondContact O-CA 3.42Å; K788-F959 WeakPolarHBondContact O-CB 3.45Å; K788-V960 HydrophobicContact CB-CG2 3.77Å; K788-V960 HydrophobicContact CD-CG2 3.54Å; K788-V960 HydrophobicContact CG-CG2 3.52Å; K788-V960 PolarHBondContact O-N 2.76Å; K788-G961 VanDerWaalsContact CB-O 3.29Å; K788-G961 WeakPolarHBondContact CB-O 3.45Å; K788-G961 PolarHBondContact N-O 2.88Å
789P92.9Very high95.1Very high44 Ų4448.6 Ų48.629%0.28624%0.244SC..EExtended strand (participates in β ladder)trans-70.9154-178.631-35.4000111.3T787 F804 F959T787-P789 VanDerWaalsContact O-CD 3.27Å; T787-P789 WeakPolarHBondContact O-CD 3.21Å; P789-F804 HydrophobicContact CB-CD1 3.67Å; P789-F804 HydrophobicContact CB-CE1 3.92Å; P789-F804 HydrophobicContact CB-CG 4.07Å; P789-F804 HydrophobicContact CG-CD1 3.82Å; P789-F804 HydrophobicContact CG-CD2 3.99Å; P789-F804 HydrophobicContact CG-CE1 3.85Å; P789-F804 HydrophobicContact CG-CE2 4.02Å; P789-F804 HydrophobicContact CG-CG 3.89Å; P789-F804 HydrophobicContact CG-CZ 3.95Å; P789-F959 HydrophobicContact CB-CD1 4.26Å; P789-F959 HydrophobicContact CB-CE1 4.35Å
790R93.4Very high95Very high136 Ų13655.4 Ų55.451%0.51327%0.269SS..PPolyproline II helixtrans-79128168.4-174.1177.4-68.7-160.9-0.7109.4M957 G958 V960R790-M957 HydrophobicContact CB-CB 4.31Å; R790-M957 HydrophobicContact CG-CB 4.47Å; R790-M957 HydrophobicContact CG-CE 4.19Å; R790-M957 VanDerWaalsContact O-CE 3.25Å; R790-M957 WeakPolarHBondContact O-CE 3.49Å; R790-G958 WeakPolarHBondContact CB-O 3.42Å; R790-G958 PolarHBondContact N-O 3.43Å; R790-V960 HydrophobicContact CB-CG1 4.32Å
791D94.2Very high94.9Very high60 Ų6055.9 Ų55.932%0.32128%0.275SS..PPolyproline II helixtrans-102153.4-179-164.923.2000112.7R797 F804D791-R797 IonicContact OD1-CZ 3.63Å; D791-R797 IonicContact OD1-NE 3.56Å; D791-R797 PolarHBondContact OD1-NE 3.49Å; D791-R797 IonicContact OD1-NH2 2.72Å; D791-R797 PolarHBondContact OD1-NH2 3.08Å; D791-R797 VanDerWaalsContact OD1-NH2 3.15Å; D791-R797 IonicContact OD2-NE 3.8Å; D791-F804 HydrophobicContact CB-CE1 3.97Å; D791-F804 HydrophobicContact CB-CZ 3.88Å; D791-F804 WeakPolarHBondContact OD1-CZ 3.35Å
792L94.2Very high94.8Very high34 Ų3456.3 Ų56.318%0.17828%0.277CS..  trans-111.191179.1-169.358.1000110.2I794 R797 I836 F910 L955 M957L792-I794 VanDerWaalsContact C-N 3.27Å; L792-I794 HydrophobicContact CD1-CG2 4.05Å; L792-I794 HydrophobicContact CD2-CD1 3.81Å; L792-I794 HydrophobicContact CD2-CG1 4.37Å; L792-I794 HydrophobicContact CG-CD1 4.04Å; L792-I794 HydrophobicContact CG-CG1 4.07Å; L792-I794 HydrophobicContact CG-CG2 4.07Å; L792-I794 PolarHBondContact O-N 2.8Å; L792-R797 WeakPolarHBondContact O-CD 3.3Å; L792-R797 WeakPolarHBondContact O-CG 3.49Å; L792-I836 HydrophobicContact CD2-CD1 3.77Å; L792-I836 HydrophobicContact CD2-CG2 4.48Å; L792-F910 HydrophobicContact CD2-CZ 4.11Å; L792-L955 HydrophobicContact CB-CD1 4.34Å; L792-L955 HydrophobicContact CB-CD2 4.2Å; L792-M957 HydrophobicContact CB-CE 3.56Å; L792-M957 HydrophobicContact CB-SD 4.06Å; L792-M957 HydrophobicContact CD1-SD 4.29Å; L792-M957 HydrophobicContact CD2-SD 4.35Å; L792-M957 HydrophobicContact CG-SD 4.47Å
793K93.8Very high94.8Very high185 Ų18558 Ų5880%0.80429%0.285SS*.  trans-84.665.2-176.5-60.3-174.5179.7-172.90112
794I95.7Very high94.7Very high30 Ų3059.4 Ų59.415%0.15429%0.29CS..  trans-103.6161171.663.6179.6000109.9L792 G796 R797 F910L792-I794 VanDerWaalsContact C-N 3.27Å; L792-I794 HydrophobicContact CD1-CG2 4.05Å; L792-I794 HydrophobicContact CD2-CD1 3.81Å; L792-I794 HydrophobicContact CD2-CG1 4.37Å; L792-I794 HydrophobicContact CG-CD1 4.04Å; L792-I794 HydrophobicContact CG-CG1 4.07Å; L792-I794 HydrophobicContact CG-CG2 4.07Å; L792-I794 PolarHBondContact O-N 2.8Å; I794-G796 PolarHBondContact O-N 3.47Å; I794-R797 VanDerWaalsContact O-CB 3.3Å; I794-R797 WeakPolarHBondContact O-CB 3.45Å; I794-R797 PolarHBondContact O-N 3.16Å; I794-F910 HydrophobicContact CD1-CD2 3.96Å; I794-F910 HydrophobicContact CD1-CE1 4.34Å; I794-F910 HydrophobicContact CD1-CE2 3.62Å; I794-F910 HydrophobicContact CD1-CZ 3.82Å; I794-F910 HydrophobicContact CG1-CD2 3.61Å; I794-F910 HydrophobicContact CG1-CE2 3.35Å; I794-F910 HydrophobicContact CG1-CZ 4.07Å
795P97.4Very high94.7Very high91 Ų9157.7 Ų57.759%0.59128%0.282SS*.THydrogen-bonded Turntrans-50.1135.9178.2-28.736.1000112.8T908 K909 F910P795-T908 WeakPolarHBondContact CD-O 3.4Å; P795-K909 HydrophobicContact CB-CB 4.17Å; P795-F910 PolarHBondContact O-N 3.4Å
796G95.8Very high94.7Very high9 Ų958.3 Ų58.39%0.09328%0.28CS..THydrogen-bonded Turntrans85.27.2-177.600000114.9I794 E798 L799 I802I794-G796 PolarHBondContact O-N 3.47Å; G796-E798 WeakPolarHBondContact CA-OE1 3.31Å; G796-E798 PolarHBondContact O-N 3.38Å; G796-L799 VanDerWaalsContact O-CB 3.29Å; G796-L799 WeakPolarHBondContact O-CB 3.41Å; G796-L799 WeakPolarHBondContact O-CD1 3.39Å; G796-L799 WeakPolarHBondContact O-CG 3.32Å; G796-L799 PolarHBondContact O-N 2.94Å; G796-L799 VanDerWaalsContact O-N 3.08Å; G796-I802 WeakPolarHBondContact O-CD1 3.39Å
797R96.2Very high94.7Very high43 Ų4361.9 Ų61.916%0.16230%0.295CS..THydrogen-bonded Turntrans-60.4-26.4179.8174.356.9-171.7104.4-7.5113.1D791 L792 I794 L799 I802 F910D791-R797 IonicContact OD1-CZ 3.63Å; D791-R797 IonicContact OD1-NE 3.56Å; D791-R797 PolarHBondContact OD1-NE 3.49Å; D791-R797 IonicContact OD1-NH2 2.72Å; D791-R797 PolarHBondContact OD1-NH2 3.08Å; D791-R797 VanDerWaalsContact OD1-NH2 3.15Å; D791-R797 IonicContact OD2-NE 3.8Å; L792-R797 WeakPolarHBondContact O-CD 3.3Å; L792-R797 WeakPolarHBondContact O-CG 3.49Å; I794-R797 VanDerWaalsContact O-CB 3.3Å; I794-R797 WeakPolarHBondContact O-CB 3.45Å; I794-R797 PolarHBondContact O-N 3.16Å; R797-L799 VanDerWaalsContact C-N 3.27Å; R797-L799 PolarHBondContact O-N 3.33Å; R797-I802 PolarHBondContact NH1-O 3.14Å; R797-F910 HydrophobicContact CB-CD2 4.35Å; R797-F910 HydrophobicContact CB-CE2 4.32Å
798E94.7Very high95Very high154 Ų15460.1 Ų60.172%0.7229%0.285SS*.THydrogen-bonded Turntrans-72.9-12.4177.167.1-74.617300114.4G796G796-E798 WeakPolarHBondContact CA-OE1 3.31Å; G796-E798 PolarHBondContact O-N 3.38Å
799L96.2Very high95.1Very high14 Ų1455.4 Ų55.47%0.07326%0.264CS..SBendtrans-63.9144.8178.7-64.4171.5000111.5G796 R797 I802 F910 D912 V918G796-L799 VanDerWaalsContact O-CB 3.29Å; G796-L799 WeakPolarHBondContact O-CB 3.41Å; G796-L799 WeakPolarHBondContact O-CD1 3.39Å; G796-L799 WeakPolarHBondContact O-CG 3.32Å; G796-L799 PolarHBondContact O-N 2.94Å; G796-L799 VanDerWaalsContact O-N 3.08Å; R797-L799 VanDerWaalsContact C-N 3.27Å; R797-L799 PolarHBondContact O-N 3.33Å; L799-I802 HydrophobicContact CB-CD1 4.05Å; L799-F910 HydrophobicContact CD1-CB 4.12Å; L799-D912 HydrophobicContact CD1-CB 4.02Å; L799-D912 HydrophobicContact CD2-CB 3.7Å; L799-D912 WeakPolarHBondContact CD2-OD2 3.36Å; L799-V918 HydrophobicContact CB-CB 4.46Å
800R94.5Very high95.2Very high142 Ų14257.3 Ų57.354%0.53627%0.268SS..BIsolated β-bridgetrans-67.8148.7172.9-66.2-177.1-72.2-179.4-3.9110.3S915 G916 H917 V918R800-S915 PolarHBondContact NH2-O 3.33Å; R800-G916 WeakPolarHBondContact CB-O 3.49Å; R800-G916 PolarHBondContact N-O 3.31Å; R800-H917 WeakPolarHBondContact CB-CD2 3.39Å; R800-H917 PolarHBondContact NE-CE1 3.22Å; R800-H917 VanDerWaalsContact NE-CE1 3.34Å; R800-H917 PolarHBondContact NE-NE2 3.01Å; R800-H917 PolarHBondContact NH2-CE1 2.73Å; R800-H917 PolarHBondContact NH2-ND1 3.04Å; R800-H917 CarbonylContact O-C 3.54Å; R800-H917 WeakPolarHBondContact O-CA 3.37Å; R800-V918 PolarHBondContact O-N 3.21Å
801G94.1Very high95.3Very high12 Ų1251.3 Ų51.312%0.12425%0.247CC..THydrogen-bonded Turntrans93.6-1.4-176.500000114.6H803 M952 V953G801-H803 VanDerWaalsContact C-CD2 3.46Å; G801-H803 WeakPolarHBondContact CA-NE2 3.32Å; G801-H803 PolarHBondContact O-CD2 2.8Å; G801-M952 CarbonylContact O-C 3.59Å; G801-M952 WeakPolarHBondContact O-CA 3.38Å; G801-V953 PolarHBondContact O-N 2.87Å
802I96.5Very high95.4Very high9 Ų949.6 Ų49.65%0.04624%0.236CC..EExtended strand (participates in β ladder)trans-102.6108.7174.5-51.8171.2000109.7G796 R797 L799 F910 V918 V953 L955G796-I802 WeakPolarHBondContact O-CD1 3.39Å; R797-I802 PolarHBondContact NH1-O 3.14Å; L799-I802 HydrophobicContact CB-CD1 4.05Å; I802-F910 HydrophobicContact CD1-CB 3.84Å; I802-F910 HydrophobicContact CD1-CD1 3.84Å; I802-F910 HydrophobicContact CD1-CD2 3.6Å; I802-F910 HydrophobicContact CD1-CE1 4.3Å; I802-F910 HydrophobicContact CD1-CE2 4.02Å; I802-F910 HydrophobicContact CD1-CG 3.47Å; I802-F910 VanDerWaalsContact CD1-CG 3.47Å; I802-F910 HydrophobicContact CD1-CZ 4.36Å; I802-F910 HydrophobicContact CG1-CD1 4.48Å; I802-F910 HydrophobicContact CG2-CZ 4.29Å; I802-V918 HydrophobicContact CD1-CB 4.45Å; I802-V918 HydrophobicContact CG1-CB 4.09Å; I802-V918 HydrophobicContact CG1-CG1 4.18Å; I802-V918 HydrophobicContact CG1-CG2 4.4Å; I802-V953 HydrophobicContact CB-CB 4.46Å; I802-V953 HydrophobicContact CG1-CB 4.19Å; I802-V953 HydrophobicContact CG1-CG2 4.45Å; I802-V953 HydrophobicContact CG2-CB 4.22Å; I802-V953 HydrophobicContact CG2-CG1 4.31Å; I802-L955 HydrophobicContact CG2-CD1 4.19Å; I802-L955 HydrophobicContact CG2-CD2 4.45Å; I802-L955 HydrophobicContact CG2-CG 4.25Å
803H96Very high95.4Very high38 Ų3848 Ų4818%0.17623%0.228CC..EExtended strand (participates in β ladder)trans-123.4153.3-170.2-59.6-74.7000112.3G801 E807 L826 V953 L954 L955G801-H803 VanDerWaalsContact C-CD2 3.46Å; G801-H803 WeakPolarHBondContact CA-NE2 3.32Å; G801-H803 PolarHBondContact O-CD2 2.8Å; H803-E807 IonicContact ND1-OE2 2.96Å; H803-L826 HydrophobicContact CB-CD2 3.77Å; H803-L826 WeakPolarHBondContact ND1-CD2 3.49Å; H803-V953 PolarHBondContact N-O 2.87Å; H803-L954 HydrophobicContact CB-CD2 4.09Å; H803-L954 CarbonylContact O-C 3.57Å; H803-L954 WeakPolarHBondContact O-CA 3.26Å; H803-L955 PolarHBondContact O-N 2.71Å
804F96.3Very high95.4Very high36 Ų3640.8 Ų40.816%0.15820%0.197CC..EExtended strand (participates in β ladder)trans-74142.9167.6-68-66.5000110.1P789 D791 M806 E807 F808 L955P789-F804 HydrophobicContact CB-CD1 3.67Å; P789-F804 HydrophobicContact CB-CE1 3.92Å; P789-F804 HydrophobicContact CB-CG 4.07Å; P789-F804 HydrophobicContact CG-CD1 3.82Å; P789-F804 HydrophobicContact CG-CD2 3.99Å; P789-F804 HydrophobicContact CG-CE1 3.85Å; P789-F804 HydrophobicContact CG-CE2 4.02Å; P789-F804 HydrophobicContact CG-CG 3.89Å; P789-F804 HydrophobicContact CG-CZ 3.95Å; D791-F804 HydrophobicContact CB-CE1 3.97Å; D791-F804 HydrophobicContact CB-CZ 3.88Å; D791-F804 WeakPolarHBondContact OD1-CZ 3.35Å; F804-M806 PolarHBondContact O-N 3.02Å; F804-M806 VanDerWaalsContact O-N 3.11Å; F804-E807 HydrophobicContact CB-CG 4.18Å; F804-E807 PolarHBondContact N-OE2 3.4Å; F804-E807 VanDerWaalsContact N-OE2 3.16Å; F804-E807 WeakPolarHBondContact O-CB 3.36Å; F804-E807 PolarHBondContact O-N 3.22Å; F804-F808 PolarHBondContact O-N 3.02Å; F804-L955 HydrophobicContact CD1-CB 4.08Å; F804-L955 HydrophobicContact CD1-CD1 4.24Å; F804-L955 HydrophobicContact CE1-CD1 4.05Å
805A96Very high95.4Very high3 Ų342.3 Ų42.33%0.02520%0.204CC..Hα-helixtrans-53.8-36.9-179.800000113.2E807 F808 L809 T841 C845 L955 A956A805-E807 VanDerWaalsContact C-N 3.34Å; A805-E807 PolarHBondContact O-N 3.01Å; A805-F808 PolarHBondContact O-N 3.22Å; A805-L809 WeakPolarHBondContact O-CG 3.45Å; A805-L809 PolarHBondContact O-N 3.25Å; A805-T841 HydrophobicContact CB-CG2 3.69Å; A805-C845 VanDerWaalsContact CB-SG 3.58Å; A805-L955 WeakPolarHBondContact CB-O 3.43Å; A805-L955 PolarHBondContact N-O 2.88Å; A805-A956 HydrophobicContact CB-CB 3.86Å
806M93.7Very high95.2Very high33 Ų3340.8 Ų40.816%0.16319%0.188CC..Hα-helixtrans-70-27.4179.4-75.6-53.5-4400114.2L729 F804 K810 F959L729-M806 HydrophobicContact CD2-CE 3.42Å; L729-M806 VanDerWaalsContact CD2-CE 3.42Å; L729-M806 HydrophobicContact CD2-SD 4.2Å; F804-M806 PolarHBondContact O-N 3.02Å; F804-M806 VanDerWaalsContact O-N 3.11Å; M806-K810 WeakPolarHBondContact O-CB 3.22Å; M806-K810 PolarHBondContact O-N 2.88Å; M806-F959 HydrophobicContact CG-CE1 3.82Å; M806-F959 HydrophobicContact CG-CZ 3.42Å; M806-F959 VanDerWaalsContact CG-CZ 3.42Å; M806-F959 HydrophobicContact SD-CZ 4.17Å
807E94.5Very high95Very high87 Ų8743 Ų4341%0.40719%0.194SC..Hα-helixtrans-65.5-48.1174.5-65.8169.6170.800109.4H803 F804 A805 S811 L826H803-E807 IonicContact ND1-OE2 2.96Å; F804-E807 HydrophobicContact CB-CG 4.18Å; F804-E807 PolarHBondContact N-OE2 3.4Å; F804-E807 VanDerWaalsContact N-OE2 3.16Å; F804-E807 WeakPolarHBondContact O-CB 3.36Å; F804-E807 PolarHBondContact O-N 3.22Å; A805-E807 VanDerWaalsContact C-N 3.34Å; A805-E807 PolarHBondContact O-N 3.01Å; E807-S811 VanDerWaalsContact O-CB 3.31Å; E807-S811 WeakPolarHBondContact O-CB 3.39Å; E807-S811 PolarHBondContact O-N 3.36Å; E807-S811 PolarHBondContact O-OG 3.24Å; E807-L826 HydrophobicContact CB-CD1 4.22Å
808F96.1Very high94.9Very high0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-59.9-48.9177.5175.1-109.5000112.7F804 A805 S811 W812 L826 A828 C845 T848 A849 L954F804-F808 PolarHBondContact O-N 3.02Å; A805-F808 PolarHBondContact O-N 3.22Å; F808-S811 PolarHBondContact O-OG 3.05Å; F808-W812 WeakPolarHBondContact O-CB 3.29Å; F808-W812 PolarHBondContact O-N 3.2Å; F808-L826 HydrophobicContact CD2-CB 4.37Å; F808-L826 WeakPolarHBondContact CD2-O 3.49Å; F808-L826 WeakPolarHBondContact CE2-O 3.5Å; F808-A828 HydrophobicContact CE2-CB 4.26Å; F808-A828 HydrophobicContact CZ-CB 4.38Å; F808-C845 HydrophobicContact CD1-CB 4.36Å; F808-C845 HydrophobicContact CE1-CB 4.38Å; F808-T848 HydrophobicContact CD1-CG2 4.47Å; F808-T848 HydrophobicContact CE1-CG2 3.55Å; F808-T848 HydrophobicContact CZ-CG2 3.61Å; F808-A849 HydrophobicContact CZ-CB 4.24Å; F808-L954 HydrophobicContact CB-CD1 4.43Å; F808-L954 HydrophobicContact CB-CD2 3.84Å; F808-L954 HydrophobicContact CD1-CD1 3.64Å; F808-L954 HydrophobicContact CD2-CD1 4.39Å; F808-L954 HydrophobicContact CD2-CD2 4.39Å; F808-L954 HydrophobicContact CE1-CD1 3.89Å; F808-L954 HydrophobicContact CG-CD1 3.91Å; F808-L954 HydrophobicContact CG-CD2 4.04Å; F808-L954 HydrophobicContact CZ-CD1 4.39Å
809L96Very high94.7Very high3 Ų339.8 Ų39.82%0.01620%0.196CC..Hα-helixtrans-69-46.5-179.7-65.7173.9000111.6P735 A805 W812 Q813 T841 D844P735-L809 HydrophobicContact CG-CD2 4.2Å; A805-L809 WeakPolarHBondContact O-CG 3.45Å; A805-L809 PolarHBondContact O-N 3.25Å; L809-W812 PolarHBondContact O-N 3.03Å; L809-Q813 WeakPolarHBondContact O-CB 3.41Å; L809-Q813 VanDerWaalsContact O-CG 3.25Å; L809-Q813 WeakPolarHBondContact O-CG 3.32Å; L809-Q813 PolarHBondContact O-N 2.98Å; L809-T841 HydrophobicContact CD1-CG2 4.09Å; L809-D844 HydrophobicContact CD1-CB 4.26Å; L809-D844 HydrophobicContact CD2-CB 4.46Å
810K94.9Very high94.4Very high84 Ų8448.7 Ų48.737%0.36524%0.237SC..Hα-helixtrans-63.4-48.7-178.3176.8172.7-179.6-173.40111.9Y732 M806 W812 Q813 M814Y732-K810 HydrophobicContact CG-CG 4.32Å; Y732-K810 VanDerWaalsContact O-CA 3.24Å; Y732-K810 WeakPolarHBondContact O-CA 3.36Å; Y732-K810 PolarHBondContact O-N 3.01Å; M806-K810 WeakPolarHBondContact O-CB 3.22Å; M806-K810 PolarHBondContact O-N 2.88Å; K810-W812 PolarHBondContact O-N 3.33Å; K810-Q813 PolarHBondContact O-N 3.44Å; K810-M814 HydrophobicContact CD-SD 4.39Å; K810-M814 HydrophobicContact CG-CG 4.3Å; K810-M814 HydrophobicContact CG-SD 3.84Å; K810-M814 WeakPolarHBondContact O-CB 3.3Å; K810-M814 VanDerWaalsContact O-CG 3.3Å; K810-M814 WeakPolarHBondContact O-CG 3.42Å; K810-M814 PolarHBondContact O-N 2.72Å
811S94.6Very high94.1Very high11 Ų1144 Ų448%0.07723%0.225CC..Hα-helixtrans-59.3-41.6-178.671.40000110.9E807 F808 M814 H815 V821 L826E807-S811 VanDerWaalsContact O-CB 3.31Å; E807-S811 WeakPolarHBondContact O-CB 3.39Å; E807-S811 PolarHBondContact O-N 3.36Å; E807-S811 PolarHBondContact O-OG 3.24Å; F808-S811 PolarHBondContact O-OG 3.05Å; S811-M814 PolarHBondContact O-N 2.97Å; S811-H815 WeakPolarHBondContact O-CB 3.5Å; S811-H815 PolarHBondContact O-N 2.8Å; S811-V821 WeakPolarHBondContact O-CG1 3.41Å; S811-L826 WeakPolarHBondContact OG-CD1 3.35Å
812W95.8Very high93.8Very high24 Ų2451 Ų519%0.09125%0.254CS..Hα-helixtrans-68.8-44.2-179.8-171.9-111.1000112.4W572 F808 L809 K810 M814 H815 Q816 W823 T848 Q852W572-W812 AromaticContact CE2-NE1 3.79Å; W572-W812 AromaticContact CH2-CD1 3.73Å; W572-W812 AromaticContact CH2-CE2 3.82Å; W572-W812 HydrophobicContact CH2-CZ2 4.26Å; W572-W812 AromaticContact CH2-NE1 2.95Å; W572-W812 AromaticContact CZ2-CE2 3.59Å; W572-W812 AromaticContact CZ2-CZ2 3.56Å; W572-W812 HydrophobicContact CZ2-CZ2 3.56Å; W572-W812 AromaticContact CZ2-NE1 3.12Å; W572-W812 AromaticContact CZ3-CD1 3.99Å; W572-W812 AromaticContact CZ3-NE1 3.48Å; F808-W812 WeakPolarHBondContact O-CB 3.29Å; F808-W812 PolarHBondContact O-N 3.2Å; L809-W812 PolarHBondContact O-N 3.03Å; K810-W812 PolarHBondContact O-N 3.33Å; W812-M814 VanDerWaalsContact C-N 3.33Å; W812-M814 PolarHBondContact O-N 3.16Å; W812-H815 AromaticContact CE3-CD2 3.92Å; W812-H815 AromaticContact CZ3-CD2 3.59Å; W812-H815 PolarHBondContact O-N 2.85Å; W812-Q816 WeakPolarHBondContact O-CG 3.33Å; W812-Q816 PolarHBondContact O-N 2.84Å; W812-W823 HydrophobicContact CE3-CE3 4.22Å; W812-W823 HydrophobicContact CZ3-CD2 4.45Å; W812-W823 AromaticContact CZ3-CE3 3.79Å; W812-W823 HydrophobicContact CZ3-CE3 3.79Å; W812-W823 AromaticContact CZ3-CZ3 3.86Å; W812-W823 HydrophobicContact CZ3-CZ3 3.86Å; W812-T848 HydrophobicContact CG-CG2 4.16Å; W812-Q852 HydrophobicContact CD2-CG 4.37Å; W812-Q852 VanDerWaalsContact CE3-NE2 3.29Å; W812-Q852 VanDerWaalsContact CG-NE2 3.31Å; W812-Q852 HydrophobicContact CH2-CG 4.09Å; W812-Q852 HydrophobicContact CZ2-CG 3.91Å; W812-Q852 HydrophobicContact CZ3-CG 4.38Å
813Q94.8Very high93.4Very high1 Ų153.1 Ų53.11%0.00526%0.261CS..Hα-helixtrans-63.5-39176.2-68.8-55.6124.800112.1Y732 S736 L809 K810 Q816 R817Y732-Q813 HydrophobicContact CD1-CB 4.19Å; S736-Q813 PolarHBondContact OG-NE2 3.31Å; L809-Q813 WeakPolarHBondContact O-CB 3.41Å; L809-Q813 VanDerWaalsContact O-CG 3.25Å; L809-Q813 WeakPolarHBondContact O-CG 3.32Å; L809-Q813 PolarHBondContact O-N 2.98Å; K810-Q813 PolarHBondContact O-N 3.44Å; Q813-Q816 PolarHBondContact O-N 3.3Å; Q813-R817 WeakPolarHBondContact O-CG 3.46Å; Q813-R817 PolarHBondContact O-N 3Å; Q813-R817 VanDerWaalsContact O-N 3.09Å
814M94.7Very high93Very high33 Ų3358.9 Ų58.916%0.16329%0.286CS..Hα-helixtrans-63.6-44.7173.4-72.6-179.778.800111.7Y732 K810 S811 W812 Q816 R817 G818 Y819 V821Y732-M814 HydrophobicContact CD1-CG 3.62Å; Y732-M814 HydrophobicContact CE1-CB 4.42Å; Y732-M814 HydrophobicContact CE1-CG 3.38Å; K810-M814 HydrophobicContact CD-SD 4.39Å; K810-M814 HydrophobicContact CG-CG 4.3Å; K810-M814 HydrophobicContact CG-SD 3.84Å; K810-M814 WeakPolarHBondContact O-CB 3.3Å; K810-M814 VanDerWaalsContact O-CG 3.3Å; K810-M814 WeakPolarHBondContact O-CG 3.42Å; K810-M814 PolarHBondContact O-N 2.72Å; S811-M814 PolarHBondContact O-N 2.97Å; W812-M814 VanDerWaalsContact C-N 3.33Å; W812-M814 PolarHBondContact O-N 3.16Å; M814-Q816 PolarHBondContact O-N 3.01Å; M814-R817 WeakPolarHBondContact O-CB 3.45Å; M814-R817 PolarHBondContact O-N 3.46Å; M814-R817 VanDerWaalsContact O-N 3.16Å; M814-G818 PolarHBondContact O-N 3.18Å; M814-Y819 HydrophobicContact CB-CD2 4.42Å; M814-Y819 WeakPolarHBondContact O-CB 3.35Å; M814-Y819 WeakPolarHBondContact O-CD2 3.47Å; M814-Y819 PolarHBondContact O-N 3.39Å; M814-Y819 VanDerWaalsContact O-N 3.08Å; M814-V821 HydrophobicContact CB-CB 4.43Å; M814-V821 HydrophobicContact CB-CG1 3.96Å
815H94.1Very high92.6Very high62 Ų6260 Ų6029%0.28730%0.297SS..Hα-helixtrans-60.3-45.1175.8174.851.5000112S811 W812 R817 G818 V821 W823S811-H815 WeakPolarHBondContact O-CB 3.5Å; S811-H815 PolarHBondContact O-N 2.8Å; W812-H815 AromaticContact CE3-CD2 3.92Å; W812-H815 AromaticContact CZ3-CD2 3.59Å; W812-H815 PolarHBondContact O-N 2.85Å; H815-R817 PolarHBondContact O-N 3.38Å; H815-G818 WeakPolarHBondContact O-CA 3.13Å; H815-G818 PolarHBondContact O-N 2.94Å; H815-V821 HydrophobicContact CB-CG1 4.09Å; H815-W823 HydrophobicContact CB-CB 4.29Å; H815-W823 HydrophobicContact CB-CG 3.94Å; H815-W823 AromaticContact CD2-CD2 3.96Å; H815-W823 AromaticContact CD2-CE2 3.79Å; H815-W823 AromaticContact CD2-NE1 3.96Å; H815-W823 AromaticContact CE1-CE2 3.58Å; H815-W823 AromaticContact CE1-CZ2 3.69Å; H815-W823 AromaticContact CE1-NE1 3.41Å; H815-W823 PolarHBondContact CE1-NE1 2.83Å; H815-W823 AromaticContact CG-CD1 3.5Å; H815-W823 AromaticContact CG-CE2 3.82Å; H815-W823 AromaticContact CG-CG 3.85Å; H815-W823 AromaticContact CG-NE1 3.51Å; H815-W823 AromaticContact ND1-CD1 3.5Å; H815-W823 AromaticContact ND1-CE2 3.7Å; H815-W823 AromaticContact ND1-NE1 3.14Å; H815-W823 PolarHBondContact ND1-NE1 2.96Å; H815-W823 VanDerWaalsContact ND1-NE1 3.14Å; H815-W823 AromaticContact NE2-CE2 3.64Å; H815-W823 AromaticContact NE2-CZ2 3.58Å; H815-W823 AromaticContact NE2-NE1 3.9Å
816Q93.4Very high92.4Very high58 Ų5860.8 Ų60.827%0.27130%0.3SS..Hα-helixtrans-61.8-29.5176.1-75.1-168.9-17.300113.5W572 S736 W812 Q813 M814 G818W572-Q816 VanDerWaalsContact CG-NE2 3.31Å; S736-Q816 PolarHBondContact OG-OE1 3.26Å; W812-Q816 WeakPolarHBondContact O-CG 3.33Å; W812-Q816 PolarHBondContact O-N 2.84Å; Q813-Q816 PolarHBondContact O-N 3.3Å; M814-Q816 PolarHBondContact O-N 3.01Å; Q816-G818 PolarHBondContact O-N 3.44Å
817R93Very high92.5Very high56 Ų5661.2 Ų61.221%0.21130%0.302CS..THydrogen-bonded Turntrans-76.8-3.2173.1-75-66.4-149.1161.113.6113.3E731 K741 D745 Q813 M814 H815 Y819E731-R817 VanDerWaalsContact CD-NH2 3.3Å; E731-R817 IonicContact OE1-CZ 2.73Å; E731-R817 IonicContact OE1-NE 3.14Å; E731-R817 PolarHBondContact OE1-NE 3.24Å; E731-R817 IonicContact OE1-NH2 3.92Å; E731-R817 PolarHBondContact OE1-NH2 3.23Å; E731-R817 IonicContact OE2-CZ 2.69Å; E731-R817 IonicContact OE2-NE 3.4Å; E731-R817 IonicContact OE2-NH2 2.79Å; E731-R817 PolarHBondContact OE2-NH2 3.37Å; K741-R817 VanDerWaalsContact CB-NH2 3.27Å; D745-R817 IonicContact OD1-CZ 3.87Å; D745-R817 IonicContact OD1-NH1 2.84Å; D745-R817 IonicContact OD1-NH2 3.34Å; D745-R817 PolarHBondContact OD1-NH2 2.9Å; D745-R817 IonicContact OD2-CZ 3.07Å; D745-R817 IonicContact OD2-NH1 3.82Å; D745-R817 PolarHBondContact OD2-NH1 3.47Å; D745-R817 IonicContact OD2-NH2 2.98Å; D745-R817 PolarHBondContact OD2-NH2 3.32Å; Q813-R817 WeakPolarHBondContact O-CG 3.46Å; Q813-R817 PolarHBondContact O-N 3Å; Q813-R817 VanDerWaalsContact O-N 3.09Å; M814-R817 WeakPolarHBondContact O-CB 3.45Å; M814-R817 PolarHBondContact O-N 3.46Å; M814-R817 VanDerWaalsContact O-N 3.16Å; H815-R817 PolarHBondContact O-N 3.38Å; R817-Y819 HydrophobicContact CB-CD2 3.56Å; R817-Y819 HydrophobicContact CB-CE2 3.5Å; R817-Y819 VanDerWaalsContact CB-CE2 3.5Å; R817-Y819 HydrophobicContact CG-CE2 4.28Å
818G93.1Very high92.5Very high65 Ų6557 Ų5767%0.6728%0.282SS*.THydrogen-bonded Turntrans85.813.7179.700000114.3M814 H815 Q816M814-G818 PolarHBondContact O-N 3.18Å; H815-G818 WeakPolarHBondContact O-CA 3.13Å; H815-G818 PolarHBondContact O-N 2.94Å; Q816-G818 PolarHBondContact O-N 3.44Å
819Y91.5Very high92.5Very high64 Ų6464 Ų6425%0.25131%0.312SS..  trans-80.4143.1177-63.1-63.4000111.8N724 R725 M814 R817 V821N724-Y819 WeakPolarHBondContact ND2-CE1 3.22Å; N724-Y819 WeakPolarHBondContact ND2-CE2 3.27Å; R725-Y819 PolarHBondContact NE-OH 2.99Å; R725-Y819 PolarHBondContact NH2-OH 3.2Å; M814-Y819 HydrophobicContact CB-CD2 4.42Å; M814-Y819 WeakPolarHBondContact O-CB 3.35Å; M814-Y819 WeakPolarHBondContact O-CD2 3.47Å; M814-Y819 PolarHBondContact O-N 3.39Å; M814-Y819 VanDerWaalsContact O-N 3.08Å; R817-Y819 HydrophobicContact CB-CD2 3.56Å; R817-Y819 HydrophobicContact CB-CE2 3.5Å; R817-Y819 VanDerWaalsContact CB-CE2 3.5Å; R817-Y819 HydrophobicContact CG-CE2 4.28Å; Y819-V821 PolarHBondContact O-N 2.7Å
820E89.4Confident92.5Very high202 Ų20266.1 Ų66.194%0.94434%0.336SS*.  trans-71.9106.1169.4-66.2-172.6172.800109.4
821V88.3Confident92.6Very high44 Ų4464.9 Ų64.927%0.26733%0.33SS..  trans-141.2147.9178.8630000108.9S811 M814 H815 Y819 W823S811-V821 WeakPolarHBondContact O-CG1 3.41Å; M814-V821 HydrophobicContact CB-CB 4.43Å; M814-V821 HydrophobicContact CB-CG1 3.96Å; H815-V821 HydrophobicContact CB-CG1 4.09Å; Y819-V821 PolarHBondContact O-N 2.7Å; V821-W823 VanDerWaalsContact C-N 3.3Å; V821-W823 HydrophobicContact CG1-CB 4.29Å; V821-W823 PolarHBondContact O-N 3.25Å
822E87.9Confident92.7Very high159 Ų15966.4 Ų66.474%0.74333%0.334SS*.  trans-76.281.8175.4-163.1-176.3179.700110.6P825E822-P825 HydrophobicContact CG-CG 4.05Å
823W88Confident92.8Very high52 Ų5265.4 Ų65.420%0.19733%0.331CS..  trans-95.6-17.9179.962.4-93.2000113.2W812 H815 V821 L826 H827W812-W823 HydrophobicContact CE3-CE3 4.22Å; W812-W823 HydrophobicContact CZ3-CD2 4.45Å; W812-W823 AromaticContact CZ3-CE3 3.79Å; W812-W823 HydrophobicContact CZ3-CE3 3.79Å; W812-W823 AromaticContact CZ3-CZ3 3.86Å; W812-W823 HydrophobicContact CZ3-CZ3 3.86Å; H815-W823 HydrophobicContact CB-CB 4.29Å; H815-W823 HydrophobicContact CB-CG 3.94Å; H815-W823 AromaticContact CD2-CD2 3.96Å; H815-W823 AromaticContact CD2-CE2 3.79Å; H815-W823 AromaticContact CD2-NE1 3.96Å; H815-W823 AromaticContact CE1-CE2 3.58Å; H815-W823 AromaticContact CE1-CZ2 3.69Å; H815-W823 AromaticContact CE1-NE1 3.41Å; H815-W823 PolarHBondContact CE1-NE1 2.83Å; H815-W823 AromaticContact CG-CD1 3.5Å; H815-W823 AromaticContact CG-CE2 3.82Å; H815-W823 AromaticContact CG-CG 3.85Å; H815-W823 AromaticContact CG-NE1 3.51Å; H815-W823 AromaticContact ND1-CD1 3.5Å; H815-W823 AromaticContact ND1-CE2 3.7Å; H815-W823 AromaticContact ND1-NE1 3.14Å; H815-W823 PolarHBondContact ND1-NE1 2.96Å; H815-W823 VanDerWaalsContact ND1-NE1 3.14Å; H815-W823 AromaticContact NE2-CE2 3.64Å; H815-W823 AromaticContact NE2-CZ2 3.58Å; H815-W823 AromaticContact NE2-NE1 3.9Å; V821-W823 VanDerWaalsContact C-N 3.3Å; V821-W823 HydrophobicContact CG1-CB 4.29Å; V821-W823 PolarHBondContact O-N 3.25Å; W823-L826 CarbonylContact O-C 3.55Å; W823-L826 WeakPolarHBondContact O-CA 3.49Å; W823-L826 WeakPolarHBondContact O-CB 3.34Å; W823-L826 PolarHBondContact O-N 3.27Å; W823-H827 HydrophobicContact CE3-CB 4.03Å; W823-H827 HydrophobicContact CZ3-CB 3.92Å; W823-H827 AromaticContact CZ3-CD2 3.63Å; W823-H827 AromaticContact CZ3-CG 3.62Å; W823-H827 PolarHBondContact O-N 3.09Å; W823-H827 VanDerWaalsContact O-N 3.13Å
824K86.3Confident92.9Very high159 Ų15965.5 Ų65.569%0.69133%0.331SS*.SBendtrans-57.2-43.1-174.9-67.8178.2179.8174.90113.9L826 H827K824-L826 PolarHBondContact O-N 3.15Å; K824-H827 WeakPolarHBondContact O-CB 3.37Å; K824-H827 PolarHBondContact O-N 2.86Å; K824-H827 VanDerWaalsContact O-N 3.14Å
825P87.7Confident93.1Very high60 Ų6063.9 Ų63.939%0.3932%0.324SS..THydrogen-bonded Turntrans-61-33.9176.4-23.234.9000112.5E822 H827 K831E822-P825 HydrophobicContact CG-CG 4.05Å; P825-H827 VanDerWaalsContact C-N 3.33Å; P825-K831 PolarHBondContact O-NZ 3.14Å
826L92.9Very high93.3Very high19 Ų1961.7 Ų61.710%0.09931%0.314CS..THydrogen-bonded Turntrans-874.5-179.7-66.1168.9000113.3H803 E807 F808 S811 W823 K824H803-L826 HydrophobicContact CB-CD2 3.77Å; H803-L826 WeakPolarHBondContact ND1-CD2 3.49Å; E807-L826 HydrophobicContact CB-CD1 4.22Å; F808-L826 HydrophobicContact CD2-CB 4.37Å; F808-L826 WeakPolarHBondContact CD2-O 3.49Å; F808-L826 WeakPolarHBondContact CE2-O 3.5Å; S811-L826 WeakPolarHBondContact OG-CD1 3.35Å; W823-L826 CarbonylContact O-C 3.55Å; W823-L826 WeakPolarHBondContact O-CA 3.49Å; W823-L826 WeakPolarHBondContact O-CB 3.34Å; W823-L826 PolarHBondContact O-N 3.27Å; K824-L826 PolarHBondContact O-N 3.15Å
827H94.8Very high93.3Very high42 Ų4259.5 Ų59.519%0.19431%0.307CS..  trans-76.8128178.1-164.429.9000111W823 K824 P825 K831 Q852W823-H827 HydrophobicContact CE3-CB 4.03Å; W823-H827 HydrophobicContact CZ3-CB 3.92Å; W823-H827 AromaticContact CZ3-CD2 3.63Å; W823-H827 AromaticContact CZ3-CG 3.62Å; W823-H827 PolarHBondContact O-N 3.09Å; W823-H827 VanDerWaalsContact O-N 3.13Å; K824-H827 WeakPolarHBondContact O-CB 3.37Å; K824-H827 PolarHBondContact O-N 2.86Å; K824-H827 VanDerWaalsContact O-N 3.14Å; P825-H827 VanDerWaalsContact C-N 3.33Å; H827-K831 WeakPolarHBondContact O-CD 3.24Å; H827-K831 VanDerWaalsContact O-CE 3.25Å; H827-K831 WeakPolarHBondContact O-CE 3.26Å; H827-K831 PolarHBondContact O-NZ 2.93Å; H827-Q852 PolarHBondContact ND1-OE1 3.07Å
828A96.2Very high93.1Very high0 Ų058.7 Ų58.70%032%0.315CS..  trans-83.2-9.9-175.600000114.3F808 G830 K831 V833 A849 Q852 A854F808-A828 HydrophobicContact CE2-CB 4.26Å; F808-A828 HydrophobicContact CZ-CB 4.38Å; A828-G830 PolarHBondContact O-N 3.3Å; A828-K831 WeakPolarHBondContact O-CB 3.44Å; A828-K831 PolarHBondContact O-N 3.27Å; A828-V833 HydrophobicContact CB-CG2 3.93Å; A828-A849 HydrophobicContact CB-CB 4.08Å; A828-Q852 HydrophobicContact CB-CB 4.12Å; A828-A854 HydrophobicContact CB-CB 4.28Å; A828-A854 WeakPolarHBondContact O-CA 3.4Å
829K96.1Very high92.9Very high145 Ų14557.6 Ų57.663%0.6330%0.304SS*.THydrogen-bonded Turntrans-52.7124.1-174.9-171.3173.1-179.6175.90112.1K831 Q852 G853K829-K831 PolarHBondContact O-N 3.02Å; K829-Q852 WeakPolarHBondContact CA-O 3.41Å; K829-Q852 VanDerWaalsContact CB-O 3.22Å; K829-Q852 WeakPolarHBondContact CB-O 3.38Å; K829-G853 WeakPolarHBondContact CA-O 3.24Å
830G94.9Very high92.8Very high49 Ų4958 Ų5851%0.50531%0.311SS..THydrogen-bonded Turntrans72.11.4178.200000115.8A828 G853A828-G830 PolarHBondContact O-N 3.3Å; G830-G853 PolarHBondContact N-O 3.27Å
831K96.4Very high93Very high57 Ų5749.8 Ų49.825%0.24827%0.274CS..  trans-94.3151.1-179.4-63.6-177.8-177.4168.20111.8P825 H827 A828 K829 V833 K855 D951 M952P825-K831 PolarHBondContact O-NZ 3.14Å; H827-K831 WeakPolarHBondContact O-CD 3.24Å; H827-K831 VanDerWaalsContact O-CE 3.25Å; H827-K831 WeakPolarHBondContact O-CE 3.26Å; H827-K831 PolarHBondContact O-NZ 2.93Å; A828-K831 WeakPolarHBondContact O-CB 3.44Å; A828-K831 PolarHBondContact O-N 3.27Å; K829-K831 PolarHBondContact O-N 3.02Å; K831-V833 HydrophobicContact CB-CG2 4.35Å; K831-K855 PolarHBondContact O-N 3.49Å; K831-D951 HydrophobicContact CB-CB 4.08Å; K831-D951 HydrophobicContact CG-CB 4.27Å; K831-M952 HydrophobicContact CD-CB 4.24Å; K831-M952 HydrophobicContact CD-CE 3.83Å
832R97.3Very high93.4Very high43 Ų4347.8 Ų47.816%0.16226%0.262CS..EExtended strand (participates in β ladder)trans-81.9110.9162.5-63.3168.2-69.1-171.310108.3K855 E856 E949 D951 M952R832-K855 HydrophobicContact CG-CD 4.38Å; R832-E856 HydrophobicContact CG-CB 4.37Å; R832-E949 IonicContact CZ-OE2 3.5Å; R832-E949 VanDerWaalsContact NH1-CB 3.28Å; R832-E949 IonicContact NH1-OE1 3.62Å; R832-E949 PolarHBondContact NH1-OE1 3.17Å; R832-E949 IonicContact NH1-OE2 2.75Å; R832-E949 PolarHBondContact NH1-OE2 3.11Å; R832-D951 WeakPolarHBondContact CB-OD2 3.47Å; R832-D951 IonicContact CZ-OD1 2.59Å; R832-D951 IonicContact CZ-OD2 3.98Å; R832-D951 PolarHBondContact N-OD2 3.13Å; R832-D951 IonicContact NE-OD1 2.7Å; R832-D951 PolarHBondContact NE-OD1 3.13Å; R832-D951 IonicContact NE-OD2 2.72Å; R832-D951 PolarHBondContact NE-OD2 3.19Å; R832-D951 IonicContact NH2-OD1 3.27Å; R832-D951 PolarHBondContact NH2-OD1 3.33Å; R832-D951 IonicContact NH2-OD2 2.99Å; R832-D951 PolarHBondContact O-N 3.33Å; R832-M952 PolarHBondContact O-N 2.99Å
833V97.7Very high93.7Very high3 Ų340.5 Ų40.52%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-102.8125-174.5-176.10000110.1A828 K831 I835 A849 A854 E856 V857 V858 M952 L954A828-V833 HydrophobicContact CB-CG2 3.93Å; K831-V833 HydrophobicContact CB-CG2 4.35Å; V833-I835 HydrophobicContact CG1-CG1 4.17Å; V833-A849 HydrophobicContact CG1-CB 4.49Å; V833-A849 HydrophobicContact CG2-CB 4.46Å; V833-A854 HydrophobicContact CG2-CB 4.02Å; V833-E856 PolarHBondContact N-O 3.11Å; V833-V857 HydrophobicContact CB-CG1 4.28Å; V833-V857 HydrophobicContact CB-CG2 4.33Å; V833-V857 HydrophobicContact CG1-CG1 4.48Å; V833-V857 CarbonylContact O-C 3.4Å; V833-V857 VanDerWaalsContact O-CA 3.29Å; V833-V857 WeakPolarHBondContact O-CA 3.4Å; V833-V858 PolarHBondContact O-N 3.14Å; V833-M952 CarbonylContact C-O 3.56Å; V833-M952 WeakPolarHBondContact CA-O 3.3Å; V833-M952 HydrophobicContact CG1-SD 4.47Å; V833-M952 HydrophobicContact CG2-CB 4.39Å; V833-M952 HydrophobicContact CG2-SD 4.33Å; V833-L954 HydrophobicContact CG1-CD1 3.89Å; V833-L954 HydrophobicContact CG1-CG 4.12Å
834L97.9Very high94.1Very high3 Ų338.4 Ų38.42%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-111.9118.1174.6-171.1152.7000110.2I836 V858 F860 V921 F948 A950 M952 V953 L954L834-I836 HydrophobicContact CD2-CD1 4.04Å; L834-I836 HydrophobicContact CD2-CG1 3.47Å; L834-I836 VanDerWaalsContact CD2-CG1 3.47Å; L834-V858 CarbonylContact C-O 3.53Å; L834-V858 WeakPolarHBondContact CA-O 3.36Å; L834-F860 HydrophobicContact CD1-CE1 4.06Å; L834-F860 HydrophobicContact CD1-CE2 3.89Å; L834-F860 HydrophobicContact CD1-CZ 3.61Å; L834-F860 HydrophobicContact CD2-CD2 4.06Å; L834-F860 HydrophobicContact CD2-CE2 4.14Å; L834-F860 HydrophobicContact CD2-CG 4.39Å; L834-F860 HydrophobicContact CG-CE1 4.47Å; L834-F860 HydrophobicContact CG-CE2 4.44Å; L834-F860 HydrophobicContact CG-CZ 4.34Å; L834-V921 HydrophobicContact CD1-CB 3.98Å; L834-V921 HydrophobicContact CD1-CG2 3.77Å; L834-V921 HydrophobicContact CD2-CG2 4.18Å; L834-V921 HydrophobicContact CG-CG2 4.46Å; L834-F948 HydrophobicContact CD1-CB 3.96Å; L834-A950 HydrophobicContact CB-CB 3.79Å; L834-A950 HydrophobicContact CD1-CB 4.38Å; L834-M952 PolarHBondContact N-O 2.89Å; L834-V953 HydrophobicContact CB-CG2 4.48Å; L834-V953 HydrophobicContact CD2-CG1 4.31Å; L834-V953 CarbonylContact O-C 3.49Å; L834-V953 VanDerWaalsContact O-CA 3.25Å; L834-V953 WeakPolarHBondContact O-CA 3.43Å; L834-L954 PolarHBondContact O-N 3.26Å
835I98Very high94.6Very high0 Ų030.8 Ų30.80%019%0.188CC..EExtended strand (participates in β ladder)trans-103124.8-179.4-59164.7000108.8V833 A842 C845 L846 V857 V858 T859 F860 L954 A956V833-I835 HydrophobicContact CG1-CG1 4.17Å; I835-A842 HydrophobicContact CG2-CB 3.74Å; I835-C845 HydrophobicContact CD1-CB 3.77Å; I835-C845 HydrophobicContact CG1-CB 4.27Å; I835-C845 HydrophobicContact CG2-CB 4.48Å; I835-L846 HydrophobicContact CD1-CB 3.93Å; I835-V857 HydrophobicContact CD1-CG1 3.73Å; I835-V857 HydrophobicContact CG1-CG1 4.37Å; I835-V858 PolarHBondContact N-O 2.87Å; I835-T859 HydrophobicContact CB-CG2 3.7Å; I835-T859 HydrophobicContact CD1-CG2 3.89Å; I835-T859 HydrophobicContact CG1-CG2 4.31Å; I835-T859 HydrophobicContact CG2-CG2 4.14Å; I835-T859 CarbonylContact O-C 3.48Å; I835-T859 WeakPolarHBondContact O-CA 3.44Å; I835-F860 PolarHBondContact O-N 2.87Å; I835-L954 CarbonylContact C-O 3.56Å; I835-L954 WeakPolarHBondContact CA-O 3.47Å; I835-L954 HydrophobicContact CG1-CB 4.15Å; I835-L954 HydrophobicContact CG1-CD1 4.14Å; I835-A956 HydrophobicContact CG2-CB 3.99Å
836I97.6Very high95.1Very high16 Ų1628 Ų288%0.08217%0.17CC..EExtended strand (participates in β ladder)trans-100.7108.5177.6-56.5-179.6000109.4L792 L834 S907 F910 V953 L954 L955 A956 M957L792-I836 HydrophobicContact CD2-CD1 3.77Å; L792-I836 HydrophobicContact CD2-CG2 4.48Å; L834-I836 HydrophobicContact CD2-CD1 4.04Å; L834-I836 HydrophobicContact CD2-CG1 3.47Å; L834-I836 VanDerWaalsContact CD2-CG1 3.47Å; I836-S907 WeakPolarHBondContact CD1-OG 3.37Å; I836-F910 HydrophobicContact CD1-CE1 4.18Å; I836-F910 HydrophobicContact CD1-CZ 4.25Å; I836-V953 HydrophobicContact CD1-CG1 3.92Å; I836-V953 HydrophobicContact CG1-CG1 4.23Å; I836-L954 PolarHBondContact N-O 2.91Å; I836-L955 HydrophobicContact CB-CD2 4.32Å; I836-L955 HydrophobicContact CD1-CD2 3.88Å; I836-L955 HydrophobicContact CG1-CD2 4.42Å; I836-A956 CarbonylContact O-C 3.59Å; I836-A956 VanDerWaalsContact O-C 3.27Å; I836-A956 VanDerWaalsContact O-CA 3.31Å; I836-A956 WeakPolarHBondContact O-CA 3.33Å; I836-A956 PolarHBondContact O-N 3.14Å; I836-M957 HydrophobicContact CG2-CG 4.01Å; I836-M957 HydrophobicContact CG2-SD 3.97Å
837G94Very high95.2Very high12 Ų1227 Ų2712%0.12417%0.165CC..  trans131.5151-17700000111.7A842 F860G837-A842 WeakPolarHBondContact O-CB 3.25Å; G837-F860 CarbonylContact C-O 3.52Å; G837-F860 WeakPolarHBondContact CA-O 3.02Å; G837-F860 PolarHBondContact N-O 2.75Å
838G88.4Confident95.3Very high38 Ų3825 Ų2539%0.39216%0.156SC..  trans-122.720178.700000115.3E861G838-E861 WeakPolarHBondContact CA-OE2 3.36Å; G838-E861 PolarHBondContact N-OE2 3.25Å
839G89.3Confident95.3Very high42 Ų4225 Ų2543%0.43316%0.156SC..SBendtrans-83.4-176.617400000114T841 A842 T843G839-T841 VanDerWaalsContact C-N 3.25Å; G839-T841 PolarHBondContact O-N 3.21Å; G839-A842 WeakPolarHBondContact O-CB 3.4Å; G839-A842 PolarHBondContact O-N 3.42Å; G839-T843 PolarHBondContact O-N 2.99Å
840D90.7Very high95.3Very high73 Ų7318.5 Ų18.539%0.3913%0.128SC..Hα-helixtrans-55.8-38.4179.9-68.2-26.8000112.9A842 T843 D844D840-A842 VanDerWaalsContact C-N 3.27Å; D840-A842 PolarHBondContact O-N 2.94Å; D840-T843 WeakPolarHBondContact O-CB 3.39Å; D840-T843 PolarHBondContact O-N 3.41Å; D840-D844 WeakPolarHBondContact O-CB 3.44Å; D840-D844 VanDerWaalsContact O-CG 3.24Å; D840-D844 PolarHBondContact O-N 3.45Å
841T93.6Very high95.3Very high29 Ų2917.4 Ų17.418%0.17811%0.108CC..Hα-helixtrans-61.5-35.1176.6-53.20000112.2A805 L809 G839 D844 C845 A956A805-T841 HydrophobicContact CB-CG2 3.69Å; L809-T841 HydrophobicContact CD1-CG2 4.09Å; G839-T841 VanDerWaalsContact C-N 3.25Å; G839-T841 PolarHBondContact O-N 3.21Å; T841-D844 PolarHBondContact O-N 2.95Å; T841-C845 PolarHBondContact O-N 3.04Å; T841-C845 PolarHBondContact O-SG 2.65Å; T841-A956 HydrophobicContact CG2-CB 4.36Å
842A95.6Very high95.2Very high2 Ų215.2 Ų15.22%0.01710%0.099CC..Hα-helixtrans-70.7-41.9176.700000111.2I835 G837 G839 D840 D844 C845 L846 A956I835-A842 HydrophobicContact CG2-CB 3.74Å; G837-A842 WeakPolarHBondContact O-CB 3.25Å; G839-A842 WeakPolarHBondContact O-CB 3.4Å; G839-A842 PolarHBondContact O-N 3.42Å; D840-A842 VanDerWaalsContact C-N 3.27Å; D840-A842 PolarHBondContact O-N 2.94Å; A842-D844 VanDerWaalsContact C-N 3.29Å; A842-D844 PolarHBondContact O-N 3.39Å; A842-C845 WeakPolarHBondContact O-CB 3.39Å; A842-C845 PolarHBondContact O-N 3.13Å; A842-L846 WeakPolarHBondContact O-CB 3.31Å; A842-L846 PolarHBondContact O-N 3.36Å; A842-A956 HydrophobicContact CB-CB 3.97Å
843T94.7Very high95.1Very high6 Ų615 Ų154%0.03711%0.111CC..Hα-helixtrans-60.5-39.8172.3-52.50000111.6G839 D840 L846 G847 D886 Y887G839-T843 PolarHBondContact O-N 2.99Å; D840-T843 WeakPolarHBondContact O-CB 3.39Å; D840-T843 PolarHBondContact O-N 3.41Å; T843-L846 WeakPolarHBondContact O-CB 3.25Å; T843-L846 PolarHBondContact O-N 3.28Å; T843-G847 PolarHBondContact O-N 3.16Å; T843-D886 HydrophobicContact CG2-CB 3.91Å; T843-Y887 HydrophobicContact CG2-CD1 4.18Å; T843-Y887 HydrophobicContact CG2-CE1 3.84Å
844D96.1Very high95Very high8 Ų815.3 Ų15.34%0.04311%0.114CC..Hα-helixtrans-67.2-38.9178.1-70.5-6.6000111.4P735 K738 L809 D840 T841 A842 T848 Y887P735-D844 VanDerWaalsContact CD-CG 3.48Å; P735-D844 WeakPolarHBondContact CD-OD2 3.37Å; P735-D844 HydrophobicContact CG-CB 3.71Å; K738-D844 WeakPolarHBondContact CD-OD1 3.31Å; K738-D844 IonicContact NZ-OD1 3.21Å; K738-D844 PolarHBondContact NZ-OD1 3.46Å; K738-D844 IonicContact NZ-OD2 3.1Å; K738-D844 PolarHBondContact NZ-OD2 2.91Å; L809-D844 HydrophobicContact CD1-CB 4.26Å; L809-D844 HydrophobicContact CD2-CB 4.46Å; D840-D844 WeakPolarHBondContact O-CB 3.44Å; D840-D844 VanDerWaalsContact O-CG 3.24Å; D840-D844 PolarHBondContact O-N 3.45Å; T841-D844 PolarHBondContact O-N 2.95Å; A842-D844 VanDerWaalsContact C-N 3.29Å; A842-D844 PolarHBondContact O-N 3.39Å; D844-T848 WeakPolarHBondContact O-CB 3.29Å; D844-T848 PolarHBondContact O-N 3.1Å; D844-T848 VanDerWaalsContact O-N 3.1Å; D844-T848 PolarHBondContact O-OG1 3.47Å; D844-Y887 WeakPolarHBondContact CA-OH 3.32Å; D844-Y887 PolarHBondContact OD1-OH 2.99Å; D844-Y887 VanDerWaalsContact OD1-OH 3.09Å
845C97.3Very high94.8Very high0 Ų021.6 Ų21.60%014%0.141CC..Hα-helixtrans-64.1-45.6171-690000111.8A805 F808 I835 T841 A842 T848 A849 L954A805-C845 VanDerWaalsContact CB-SG 3.58Å; F808-C845 HydrophobicContact CD1-CB 4.36Å; F808-C845 HydrophobicContact CE1-CB 4.38Å; I835-C845 HydrophobicContact CD1-CB 3.77Å; I835-C845 HydrophobicContact CG1-CB 4.27Å; I835-C845 HydrophobicContact CG2-CB 4.48Å; T841-C845 PolarHBondContact O-N 3.04Å; T841-C845 PolarHBondContact O-SG 2.65Å; A842-C845 WeakPolarHBondContact O-CB 3.39Å; A842-C845 PolarHBondContact O-N 3.13Å; C845-T848 PolarHBondContact O-N 2.88Å; C845-A849 WeakPolarHBondContact O-CB 3.49Å; C845-A849 PolarHBondContact O-N 3.01Å; C845-L954 HydrophobicContact CB-CD1 3.96Å
846L96.7Very high94.7Very high0 Ų026 Ų260%016%0.161CC..Hα-helixtrans-56.9-56.1177.1171.163.1000110.5I835 A842 T843 T848 A849 L850 V857 G888 P900I835-L846 HydrophobicContact CD1-CB 3.93Å; A842-L846 WeakPolarHBondContact O-CB 3.31Å; A842-L846 PolarHBondContact O-N 3.36Å; T843-L846 WeakPolarHBondContact O-CB 3.25Å; T843-L846 PolarHBondContact O-N 3.28Å; L846-T848 PolarHBondContact O-N 2.79Å; L846-A849 PolarHBondContact O-N 3.13Å; L846-A849 VanDerWaalsContact O-N 3.17Å; L846-L850 HydrophobicContact CD1-CD1 3.97Å; L846-L850 HydrophobicContact CD1-CD2 4.34Å; L846-L850 HydrophobicContact CD1-CG 4.05Å; L846-L850 HydrophobicContact CG-CD1 4.16Å; L846-L850 VanDerWaalsContact O-CG 3.26Å; L846-L850 WeakPolarHBondContact O-CG 3.43Å; L846-L850 PolarHBondContact O-N 3.32Å; L846-V857 HydrophobicContact CD1-CB 3.77Å; L846-V857 HydrophobicContact CD1-CG1 3.47Å; L846-V857 VanDerWaalsContact CD1-CG1 3.47Å; L846-V857 HydrophobicContact CD1-CG2 4.38Å; L846-G888 VanDerWaalsContact CD2-C 3.48Å; L846-G888 WeakPolarHBondContact CD2-O 3.32Å; L846-P900 HydrophobicContact CD1-CB 4.36Å; L846-P900 HydrophobicContact CD1-CG 4.11Å; L846-P900 HydrophobicContact CD2-CG 3.67Å
847G95.5Very high94.7Very high0 Ų025.5 Ų25.50%016%0.159CC..Hα-helixtrans-61-30.8-179.600000113.8T843 R851T843-G847 PolarHBondContact O-N 3.16Å; G847-R851 WeakPolarHBondContact O-CG 3.12Å; G847-R851 PolarHBondContact O-N 3.48Å; G847-R851 PolarHBondContact O-NH1 3.29Å
848T96.5Very high94.8Very high0 Ų026 Ų260%016%0.16CC..Hα-helixtrans-74.2-45.2175.1-58.80000111.4W572 F808 W812 D844 C845 L846 L850 R851 Q852W572-T848 HydrophobicContact CH2-CG2 3.95Å; W572-T848 HydrophobicContact CZ3-CG2 4.38Å; F808-T848 HydrophobicContact CD1-CG2 4.47Å; F808-T848 HydrophobicContact CE1-CG2 3.55Å; F808-T848 HydrophobicContact CZ-CG2 3.61Å; W812-T848 HydrophobicContact CG-CG2 4.16Å; D844-T848 WeakPolarHBondContact O-CB 3.29Å; D844-T848 PolarHBondContact O-N 3.1Å; D844-T848 VanDerWaalsContact O-N 3.1Å; D844-T848 PolarHBondContact O-OG1 3.47Å; C845-T848 PolarHBondContact O-N 2.88Å; L846-T848 PolarHBondContact O-N 2.79Å; T848-L850 PolarHBondContact O-N 2.8Å; T848-R851 PolarHBondContact O-N 3.41Å; T848-Q852 WeakPolarHBondContact O-CG 3.39Å; T848-Q852 PolarHBondContact O-N 2.68Å
849A96.7Very high95.2Very high0 Ų024.4 Ų24.40%014%0.142CC..Hα-helixtrans-63.1-41.2179.200000112.1F808 A828 V833 C845 L846 Q852 G853 A854 V857F808-A849 HydrophobicContact CZ-CB 4.24Å; A828-A849 HydrophobicContact CB-CB 4.08Å; V833-A849 HydrophobicContact CG1-CB 4.49Å; V833-A849 HydrophobicContact CG2-CB 4.46Å; C845-A849 WeakPolarHBondContact O-CB 3.49Å; C845-A849 PolarHBondContact O-N 3.01Å; L846-A849 PolarHBondContact O-N 3.13Å; L846-A849 VanDerWaalsContact O-N 3.17Å; A849-Q852 PolarHBondContact O-N 2.93Å; A849-G853 PolarHBondContact O-N 3.02Å; A849-A854 HydrophobicContact CB-CB 4.28Å; A849-A854 WeakPolarHBondContact O-CB 3.15Å; A849-A854 PolarHBondContact O-N 2.9Å; A849-A854 VanDerWaalsContact O-N 3.09Å; A849-V857 HydrophobicContact CB-CG2 4.05Å
850L95.6Very high95.5Very high7 Ų722.6 Ų22.64%0.03712%0.122CC..Hα-helixtrans-59.7-48.4175.7-65.2175.9000111.6L846 T848 Q852 G853 V857 E891 L895 F896L846-L850 HydrophobicContact CD1-CD1 3.97Å; L846-L850 HydrophobicContact CD1-CD2 4.34Å; L846-L850 HydrophobicContact CD1-CG 4.05Å; L846-L850 HydrophobicContact CG-CD1 4.16Å; L846-L850 VanDerWaalsContact O-CG 3.26Å; L846-L850 WeakPolarHBondContact O-CG 3.43Å; L846-L850 PolarHBondContact O-N 3.32Å; T848-L850 PolarHBondContact O-N 2.8Å; L850-Q852 VanDerWaalsContact C-N 3.28Å; L850-Q852 PolarHBondContact O-N 2.94Å; L850-G853 PolarHBondContact O-N 3.12Å; L850-V857 HydrophobicContact CD2-CB 4.46Å; L850-V857 HydrophobicContact CD2-CG2 3.84Å; L850-V857 HydrophobicContact CG-CG2 4.49Å; L850-E891 HydrophobicContact CD1-CB 3.72Å; L850-L895 HydrophobicContact CB-CD1 4.13Å; L850-L895 HydrophobicContact CD2-CD1 3.99Å; L850-L895 HydrophobicContact CG-CD1 4.44Å; L850-F896 HydrophobicContact CD2-CD2 4.15Å; L850-F896 HydrophobicContact CD2-CE2 3.39Å; L850-F896 HydrophobicContact CD2-CZ 4.2Å
851R94.7Very high95.7Very high26 Ų2620.7 Ų20.710%0.09811%0.111CC..Hα-helixtrans-66.1-27.5178.2-73.3178.117269.65.4113.8R568 I569 D571 W572 G847 T848 G853 E891R568-R851 PolarHBondContact O-NE 3.34Å; R568-R851 PolarHBondContact O-NH2 3.36Å; I569-R851 WeakPolarHBondContact O-CG 3.27Å; D571-R851 WeakPolarHBondContact O-CD 3.39Å; D571-R851 PolarHBondContact O-NE 2.99Å; W572-R851 HydrophobicContact CH2-CB 3.56Å; W572-R851 HydrophobicContact CH2-CG 4.34Å; W572-R851 HydrophobicContact CZ2-CB 3.4Å; W572-R851 HydrophobicContact CZ2-CG 4.36Å; W572-R851 HydrophobicContact CZ3-CB 4.29Å; G847-R851 WeakPolarHBondContact O-CG 3.12Å; G847-R851 PolarHBondContact O-N 3.48Å; G847-R851 PolarHBondContact O-NH1 3.29Å; T848-R851 PolarHBondContact O-N 3.41Å; R851-G853 PolarHBondContact O-N 2.93Å; R851-E891 IonicContact CZ-OE1 3.54Å; R851-E891 IonicContact CZ-OE2 2.7Å; R851-E891 VanDerWaalsContact NH1-CD 3.31Å; R851-E891 IonicContact NH1-OE1 2.84Å; R851-E891 PolarHBondContact NH1-OE1 3.35Å; R851-E891 IonicContact NH1-OE2 2.69Å; R851-E891 PolarHBondContact NH1-OE2 3.45Å; R851-E891 IonicContact NH2-OE1 3.66Å; R851-E891 PolarHBondContact NH2-OE1 3.4Å; R851-E891 IonicContact NH2-OE2 3.98Å
852Q95.2Very high95.7Very high11 Ų1122.3 Ų22.35%0.05112%0.118CC..THydrogen-bonded Turntrans-77.3-5.8173.3-72.9-177.418.300113W572 W812 H827 A828 K829 T848 A849 L850W572-Q852 HydrophobicContact CZ2-CG 4.42Å; W812-Q852 HydrophobicContact CD2-CG 4.37Å; W812-Q852 VanDerWaalsContact CE3-NE2 3.29Å; W812-Q852 VanDerWaalsContact CG-NE2 3.31Å; W812-Q852 HydrophobicContact CH2-CG 4.09Å; W812-Q852 HydrophobicContact CZ2-CG 3.91Å; W812-Q852 HydrophobicContact CZ3-CG 4.38Å; H827-Q852 PolarHBondContact ND1-OE1 3.07Å; A828-Q852 HydrophobicContact CB-CB 4.12Å; K829-Q852 WeakPolarHBondContact CA-O 3.41Å; K829-Q852 VanDerWaalsContact CB-O 3.22Å; K829-Q852 WeakPolarHBondContact CB-O 3.38Å; T848-Q852 WeakPolarHBondContact O-CG 3.39Å; T848-Q852 PolarHBondContact O-N 2.68Å; A849-Q852 PolarHBondContact O-N 2.93Å; L850-Q852 VanDerWaalsContact C-N 3.28Å; L850-Q852 PolarHBondContact O-N 2.94Å
853G94.7Very high95.5Very high40 Ų4026.6 Ų26.641%0.41214%0.14SC..THydrogen-bonded Turntrans8238.4178.900000113.6K829 G830 A849 L850 R851K829-G853 WeakPolarHBondContact CA-O 3.24Å; G830-G853 PolarHBondContact N-O 3.27Å; A849-G853 PolarHBondContact O-N 3.02Å; L850-G853 PolarHBondContact O-N 3.12Å; R851-G853 PolarHBondContact O-N 2.93Å
854A96.1Very high95.3Very high9 Ų928.1 Ų28.17%0.07416%0.157CC..  trans-54.1141.6169.300000111.2A828 V833 A849 V857A828-A854 HydrophobicContact CB-CB 4.28Å; A828-A854 WeakPolarHBondContact O-CA 3.4Å; V833-A854 HydrophobicContact CG2-CB 4.02Å; A849-A854 HydrophobicContact CB-CB 4.28Å; A849-A854 WeakPolarHBondContact O-CB 3.15Å; A849-A854 PolarHBondContact O-N 2.9Å; A849-A854 VanDerWaalsContact O-N 3.09Å; A854-V857 HydrophobicContact CB-CG2 3.63Å
855K94.8Very high95.1Very high135 Ų13533 Ų3359%0.58718%0.179SC*.SBendtrans-68.3-39.9178.3178.3-179174.6-173.60111K831 R832 F896K831-K855 PolarHBondContact O-N 3.49Å; R832-K855 HydrophobicContact CG-CD 4.38Å; K855-F896 WeakPolarHBondContact O-CE1 3.45Å
856E94.9Very high94.8Very high92 Ų9235.5 Ų35.543%0.4320%0.196SC..EExtended strand (participates in β ladder)trans-155148.1179-176.8177.1-171.900108.2R832 V833 V858R832-E856 HydrophobicContact CG-CB 4.37Å; V833-E856 PolarHBondContact N-O 3.11Å; E856-V858 HydrophobicContact CG-CG2 4.35Å
857V96.6Very high94.5Very high5 Ų538.2 Ų38.23%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-133125.5172.6-168.30000109.9V833 I835 L846 A849 L850 A854 P900V833-V857 HydrophobicContact CB-CG1 4.28Å; V833-V857 HydrophobicContact CB-CG2 4.33Å; V833-V857 HydrophobicContact CG1-CG1 4.48Å; V833-V857 CarbonylContact O-C 3.4Å; V833-V857 VanDerWaalsContact O-CA 3.29Å; V833-V857 WeakPolarHBondContact O-CA 3.4Å; I835-V857 HydrophobicContact CD1-CG1 3.73Å; I835-V857 HydrophobicContact CG1-CG1 4.37Å; L846-V857 HydrophobicContact CD1-CB 3.77Å; L846-V857 HydrophobicContact CD1-CG1 3.47Å; L846-V857 VanDerWaalsContact CD1-CG1 3.47Å; L846-V857 HydrophobicContact CD1-CG2 4.38Å; A849-V857 HydrophobicContact CB-CG2 4.05Å; L850-V857 HydrophobicContact CD2-CB 4.46Å; L850-V857 HydrophobicContact CD2-CG2 3.84Å; L850-V857 HydrophobicContact CG-CG2 4.49Å; A854-V857 HydrophobicContact CB-CG2 3.63Å; V857-P900 VanDerWaalsContact O-CB 3.27Å; V857-P900 WeakPolarHBondContact O-CB 3.42Å
858V96.1Very high94.2Very high24 Ų2444.5 Ų44.515%0.14524%0.244CC..EExtended strand (participates in β ladder)trans-119.6142.8174.8179.40000109.1V833 L834 I835 E856 F860 P900 I902V833-V858 PolarHBondContact O-N 3.14Å; L834-V858 CarbonylContact C-O 3.53Å; L834-V858 WeakPolarHBondContact CA-O 3.36Å; I835-V858 PolarHBondContact N-O 2.87Å; E856-V858 HydrophobicContact CG-CG2 4.35Å; V858-F860 HydrophobicContact CG1-CD1 4.01Å; V858-F860 HydrophobicContact CG1-CE1 3.72Å; V858-P900 CarbonylContact C-O 3.58Å; V858-I902 HydrophobicContact CG1-CD1 3.8Å; V858-I902 HydrophobicContact CG1-CG1 4.08Å
859T97.1Very high93.7Very high4 Ų454.7 Ų54.73%0.02528%0.282CS..EExtended strand (participates in β ladder)trans-123.7126.9-179.235.90000109.9I835 P900 R901 I902I835-T859 HydrophobicContact CB-CG2 3.7Å; I835-T859 HydrophobicContact CD1-CG2 3.89Å; I835-T859 HydrophobicContact CG1-CG2 4.31Å; I835-T859 HydrophobicContact CG2-CG2 4.14Å; I835-T859 CarbonylContact O-C 3.48Å; I835-T859 WeakPolarHBondContact O-CA 3.44Å; T859-P900 PolarHBondContact N-O 3.48Å; T859-P900 PolarHBondContact OG1-O 2.79Å; T859-R901 CarbonylContact O-C 3.59Å; T859-R901 WeakPolarHBondContact O-CA 3.16Å; T859-R901 VanDerWaalsContact OG1-CA 3.25Å; T859-R901 WeakPolarHBondContact OG1-CA 3.41Å; T859-R901 WeakPolarHBondContact OG1-CG 3.34Å; T859-R901 PolarHBondContact OG1-N 2.88Å; T859-I902 PolarHBondContact O-N 2.81Å
860F97Very high93.3Very high4 Ų458.1 Ų58.12%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-100.3127.3177.8-775.2000110.9L834 I835 G837 V858 I902 I905 V921 A923 F948L834-F860 HydrophobicContact CD1-CE1 4.06Å; L834-F860 HydrophobicContact CD1-CE2 3.89Å; L834-F860 HydrophobicContact CD1-CZ 3.61Å; L834-F860 HydrophobicContact CD2-CD2 4.06Å; L834-F860 HydrophobicContact CD2-CE2 4.14Å; L834-F860 HydrophobicContact CD2-CG 4.39Å; L834-F860 HydrophobicContact CG-CE1 4.47Å; L834-F860 HydrophobicContact CG-CE2 4.44Å; L834-F860 HydrophobicContact CG-CZ 4.34Å; I835-F860 PolarHBondContact O-N 2.87Å; G837-F860 CarbonylContact C-O 3.52Å; G837-F860 WeakPolarHBondContact CA-O 3.02Å; G837-F860 PolarHBondContact N-O 2.75Å; V858-F860 HydrophobicContact CG1-CD1 4.01Å; V858-F860 HydrophobicContact CG1-CE1 3.72Å; F860-I902 HydrophobicContact CD1-CB 4.17Å; F860-I902 HydrophobicContact CE1-CB 4.44Å; F860-I902 HydrophobicContact CE1-CD1 4Å; F860-I905 HydrophobicContact CB-CG2 3.68Å; F860-I905 HydrophobicContact CD1-CD1 4.17Å; F860-I905 HydrophobicContact CD1-CG2 3.88Å; F860-I905 HydrophobicContact CD2-CD1 4.38Å; F860-I905 HydrophobicContact CD2-CG1 4.31Å; F860-I905 HydrophobicContact CD2-CG2 4.15Å; F860-I905 HydrophobicContact CE1-CD1 3.82Å; F860-I905 HydrophobicContact CE2-CD1 4.04Å; F860-I905 HydrophobicContact CE2-CG1 4.31Å; F860-I905 HydrophobicContact CG-CD1 4.45Å; F860-I905 HydrophobicContact CG-CG2 3.63Å; F860-I905 HydrophobicContact CZ-CD1 3.74Å; F860-I905 HydrophobicContact CZ-CG1 4.49Å; F860-V921 HydrophobicContact CE2-CG1 4.42Å; F860-A923 HydrophobicContact CD2-CB 4.49Å; F860-A923 HydrophobicContact CE2-CB 3.68Å; F860-A923 HydrophobicContact CZ-CB 4.21Å; F860-F948 HydrophobicContact CE1-CD1 4.19Å; F860-F948 HydrophobicContact CE1-CD2 4.3Å; F860-F948 HydrophobicContact CE1-CE1 4.26Å; F860-F948 HydrophobicContact CE1-CE2 4.35Å; F860-F948 HydrophobicContact CE1-CG 4.2Å; F860-F948 HydrophobicContact CE1-CZ 4.32Å; F860-F948 HydrophobicContact CE2-CD2 4.4Å; F860-F948 HydrophobicContact CZ-CB 4.18Å; F860-F948 HydrophobicContact CZ-CD1 4.12Å; F860-F948 AromaticContact CZ-CD2 3.5Å; F860-F948 HydrophobicContact CZ-CD2 3.5Å; F860-F948 HydrophobicContact CZ-CE1 4.38Å; F860-F948 AromaticContact CZ-CE2 3.79Å; F860-F948 HydrophobicContact CZ-CE2 3.79Å; F860-F948 AromaticContact CZ-CG 3.66Å; F860-F948 HydrophobicContact CZ-CG 3.66Å; F860-F948 HydrophobicContact CZ-CZ 4.21Å
861E94.4Very high92.9Very high32 Ų3259.9 Ų59.915%0.1531%0.311CS..  trans-118.7126.7172.3178.150.7-103.100109.7G838 L863 I902 Y903 S904 I905G838-E861 WeakPolarHBondContact CA-OE2 3.36Å; G838-E861 PolarHBondContact N-OE2 3.25Å; E861-L863 VanDerWaalsContact C-N 3.29Å; E861-L863 HydrophobicContact CG-CB 4.09Å; E861-L863 WeakPolarHBondContact OE1-CB 3.45Å; E861-L863 WeakPolarHBondContact OE1-CG 3.34Å; E861-L863 PolarHBondContact OE1-N 3Å; E861-I902 PolarHBondContact N-O 3.44Å; E861-Y903 HydrophobicContact CB-CD1 3.97Å; E861-Y903 HydrophobicContact CB-CE1 4.36Å; E861-Y903 HydrophobicContact CG-CD1 3.91Å; E861-Y903 HydrophobicContact CG-CE1 4.26Å; E861-Y903 CarbonylContact O-C 3.45Å; E861-Y903 WeakPolarHBondContact O-CA 3.2Å; E861-S904 PolarHBondContact O-N 3.48Å; E861-I905 PolarHBondContact O-N 2.75Å
862I92.8Very high92.3Very high64 Ų6469.2 Ų69.233%0.32835%0.352SS..SBendtrans-75.6-22.3-178.8-161.7172.7000111.9V926 W928 L938I862-V926 HydrophobicContact CG1-CG2 4.08Å; I862-W928 HydrophobicContact CD1-CZ2 4.29Å; I862-W928 HydrophobicContact CG1-CZ2 4.48Å; I862-W928 PolarHBondContact O-NE1 3.34Å; I862-L938 HydrophobicContact CD1-CD1 4.35Å; I862-L938 HydrophobicContact CD1-CD2 3.76Å; I862-L938 HydrophobicContact CG1-CD1 4.12Å; I862-L938 HydrophobicContact CG1-CD2 4.21Å
863L91.4Very high91.9Very high92 Ų9275.1 Ų75.148%0.48239%0.385SS..SBendtrans-82.2157.4175.7-61.5175.3000111.7E861 S904E861-L863 VanDerWaalsContact C-N 3.29Å; E861-L863 HydrophobicContact CG-CB 4.09Å; E861-L863 WeakPolarHBondContact OE1-CB 3.45Å; E861-L863 WeakPolarHBondContact OE1-CG 3.34Å; E861-L863 PolarHBondContact OE1-N 3Å; L863-S904 PolarHBondContact O-N 3.27Å
864G90.2Very high91.7Very high37 Ų3774.2 Ų74.238%0.38137%0.37SS..PPolyproline II helixtrans-64.5154.4169.500000112.1P866 S904G864-P866 VanDerWaalsContact O-CD 3.3Å; G864-P866 WeakPolarHBondContact O-CD 3.4Å; G864-S904 VanDerWaalsContact CA-OG 3.31Å; G864-S904 WeakPolarHBondContact CA-OG 3.43Å
865Q92.4Very high91.2Very high110 Ų11076.7 Ų76.751%0.51439%0.386SS..PPolyproline II helixtrans-59.4122.9173.9-174.4177.9-13.500109.5Y883 Y903Q865-Y883 HydrophobicContact CG-CD2 3.78Å; Q865-Y883 HydrophobicContact CG-CE2 3.98Å; Q865-Y883 VanDerWaalsContact NE2-CE2 3.32Å; Q865-Y903 HydrophobicContact CB-CD1 4.04Å; Q865-Y903 HydrophobicContact CB-CD2 3.79Å; Q865-Y903 HydrophobicContact CB-CE1 4.31Å; Q865-Y903 HydrophobicContact CB-CE2 4.1Å; Q865-Y903 HydrophobicContact CB-CG 3.76Å; Q865-Y903 HydrophobicContact CG-CD2 4.07Å; Q865-Y903 HydrophobicContact CG-CE1 4.36Å; Q865-Y903 HydrophobicContact CG-CE2 3.86Å; Q865-Y903 HydrophobicContact CG-CG 4.42Å
866P90.5Very high90.9Very high53 Ų5373 Ų7334%0.34437%0.368SS..PPolyproline II helixtrans-62.2152.1177.2-23.634.6000111.8G864G864-P866 VanDerWaalsContact O-CD 3.3Å; G864-P866 WeakPolarHBondContact O-CD 3.4Å
867S90.6Very high90.6Very high58 Ų5869.9 Ų69.941%0.40636%0.356SS..PPolyproline II helixtrans-70158.317851.30000112.5R869 I882 Y883S867-R869 VanDerWaalsContact C-N 3.25Å; S867-R869 WeakPolarHBondContact CB-O 3.24Å; S867-R869 PolarHBondContact O-N 2.97Å; S867-R869 PolarHBondContact OG-O 3.01Å; S867-I882 CarbonylContact O-C 3.52Å; S867-I882 WeakPolarHBondContact O-CA 3.17Å; S867-I882 WeakPolarHBondContact O-CB 3.41Å; S867-Y883 PolarHBondContact O-N 3.46Å
868Q89.6Confident90.3Very high131 Ų13174 Ų7461%0.61237%0.374SS*.SBendtrans-69.5-23.1176.6-64.4-62.8-28.600113.2
869R86.6Confident90Very high214 Ų21477.6 Ų77.681%0.80839%0.386SS*.SBendtrans-128.5160.3179.7-61.2-176.1-176.6-174.41.6109.9S867 A871S867-R869 VanDerWaalsContact C-N 3.25Å; S867-R869 WeakPolarHBondContact CB-O 3.24Å; S867-R869 PolarHBondContact O-N 2.97Å; S867-R869 PolarHBondContact OG-O 3.01Å; R869-A871 PolarHBondContact O-N 3.27Å
870R87.9Confident89.6Confident72 Ų7278 Ų7827%0.27239%0.388SS..  trans-58.2134.3176.2-71176.1177.5-89.16.5110.6G651 N874 Q878 P880 I882G651-R870 PolarHBondContact O-NH2 3Å; G651-R870 VanDerWaalsContact O-NH2 3.09Å; R870-N874 PolarHBondContact NH1-O 3.16Å; R870-N874 PolarHBondContact NH1-OD1 2.74Å; R870-Q878 PolarHBondContact NH1-O 3.04Å; R870-Q878 PolarHBondContact NH2-O 2.75Å; R870-P880 HydrophobicContact CG-CB 4.27Å; R870-P880 VanDerWaalsContact CZ-CB 3.46Å; R870-P880 VanDerWaalsContact NH2-CG 3.29Å; R870-I882 HydrophobicContact CG-CG2 4.27Å
871A86.5Confident89.3Confident45 Ų4580.6 Ų80.637%0.37241%0.41SS..  trans-73.2160.5168.200000110.6R869 D873 N874R869-A871 PolarHBondContact O-N 3.27Å; A871-D873 WeakPolarHBondContact CB-OD1 3.45Å; A871-D873 PolarHBondContact O-N 3.07Å; A871-N874 PolarHBondContact O-N 2.83Å
872K83.9Confident89.2Confident221 Ų22181.3 Ų81.396%0.96142%0.415SS*.THydrogen-bonded Turntrans-60.9-26.7-177.8-68.3-176.7179.6178.70113
873D86.8Confident89.1Confident136 Ų13680.4 Ų80.473%0.72741%0.407SS*.THydrogen-bonded Turntrans-89.9-0.5178.765.5-27.6000114A871 P875A871-D873 WeakPolarHBondContact CB-OD1 3.45Å; A871-D873 PolarHBondContact O-N 3.07Å; D873-P875 WeakPolarHBondContact O-CD 3.15Å
874N89Confident88.9Confident20 Ų2080.7 Ų80.711%0.10740%0.402CS..SBendtrans-11565.7171.3-179.6-129.7000111.4R870 A871 Q878 W879 P880 A881R870-N874 PolarHBondContact NH1-O 3.16Å; R870-N874 PolarHBondContact NH1-OD1 2.74Å; A871-N874 PolarHBondContact O-N 2.83Å; N874-Q878 PolarHBondContact ND2-OE1 3.5Å; N874-W879 PolarHBondContact ND2-O 2.88Å; N874-W879 PolarHBondContact OD1-O 3.32Å; N874-P880 WeakPolarHBondContact OD1-CA 3.34Å; N874-A881 PolarHBondContact OD1-N 3.45Å
875P86.5Confident88.9Confident62 Ų6282.4 Ų82.440%0.40341%0.405SS..  trans-65.8147.5-173.428.6-36.3000111.9D873 Q878D873-P875 WeakPolarHBondContact O-CD 3.15Å; P875-Q878 WeakPolarHBondContact O-CB 3.46Å; P875-Q878 WeakPolarHBondContact O-CG 3.43Å; P875-Q878 PolarHBondContact O-N 3.46Å
876W88.9Confident88.7Confident58 Ų5879.1 Ų79.122%0.2239%0.391CS..THydrogen-bonded Turntrans-61.9140.8164.117896.3000109.4F599 C653 C654 I657F599-W876 HydrophobicContact CB-CH2 4.32Å; F599-W876 HydrophobicContact CB-CZ2 4.06Å; F599-W876 HydrophobicContact CD1-CH2 4.28Å; F599-W876 AromaticContact CD2-CH2 3.35Å; F599-W876 HydrophobicContact CD2-CH2 3.35Å; F599-W876 AromaticContact CD2-CZ2 3.89Å; F599-W876 HydrophobicContact CD2-CZ2 3.89Å; F599-W876 HydrophobicContact CD2-CZ3 4.32Å; F599-W876 HydrophobicContact CE1-CH2 4.44Å; F599-W876 AromaticContact CE2-CH2 3.54Å; F599-W876 HydrophobicContact CE2-CH2 3.54Å; F599-W876 HydrophobicContact CE2-CZ2 4.5Å; F599-W876 HydrophobicContact CE2-CZ3 4.15Å; F599-W876 AromaticContact CG-CH2 3.73Å; F599-W876 HydrophobicContact CG-CH2 3.73Å; F599-W876 AromaticContact CG-CZ2 3.98Å; F599-W876 HydrophobicContact CG-CZ2 3.98Å; F599-W876 HydrophobicContact CZ-CH2 4.09Å; F599-W876 HydrophobicContact CZ-CZ3 4.3Å; C653-W876 PolarHBondContact O-NE1 2.98Å; C653-W876 VanDerWaalsContact O-NE1 3.08Å; C654-W876 HydrophobicContact CB-CZ2 4.15Å; I657-W876 HydrophobicContact CD1-CD2 3.55Å; I657-W876 HydrophobicContact CD1-CE3 3.68Å; I657-W876 HydrophobicContact CD1-CG 4.16Å; I657-W876 HydrophobicContact CD1-CH2 3.87Å; I657-W876 HydrophobicContact CD1-CZ2 3.79Å; I657-W876 HydrophobicContact CD1-CZ3 3.83Å; I657-W876 HydrophobicContact CG1-CB 4.35Å; I657-W876 HydrophobicContact CG1-CD2 3.59Å; I657-W876 HydrophobicContact CG1-CE3 4.17Å; I657-W876 HydrophobicContact CG1-CG 3.65Å; I657-W876 HydrophobicContact CG1-CZ2 4.36Å
877P88.5Confident88.8Confident26 Ų2676.6 Ų76.617%0.16938%0.375CS..THydrogen-bonded Turncis-9823.310.739.5-38000114.7F599 T604 A652F599-P877 HydrophobicContact CB-CB 4.38Å; F599-P877 HydrophobicContact CD1-CB 4.15Å; F599-P877 HydrophobicContact CD1-CG 3.73Å; F599-P877 HydrophobicContact CE1-CG 4.14Å; F599-P877 HydrophobicContact CG-CB 4.47Å; T604-P877 WeakPolarHBondContact CB-O 3.32Å; T604-P877 HydrophobicContact CG2-CG 4.37Å; T604-P877 WeakPolarHBondContact OG1-CG 3.37Å; T604-P877 PolarHBondContact OG1-O 2.97Å; A652-P877 HydrophobicContact CB-CB 4.14Å
878Q89.6Confident88.8Confident90 Ų9073.9 Ų73.942%0.42136%0.355SS..SBendtrans-61.9162.7177.4-60.4-178.71.800111.4R870 N874 P875R870-Q878 PolarHBondContact NH1-O 3.04Å; R870-Q878 PolarHBondContact NH2-O 2.75Å; N874-Q878 PolarHBondContact ND2-OE1 3.5Å; P875-Q878 WeakPolarHBondContact O-CB 3.46Å; P875-Q878 WeakPolarHBondContact O-CG 3.43Å; P875-Q878 PolarHBondContact O-N 3.46Å
879W89Confident89Confident101 Ų10168.4 Ų68.438%0.38333%0.33SS..PPolyproline II helixtrans-55.7129.1173.7179.4-110.9000110.8P646 P648 N874 A881 R884P646-W879 HydrophobicContact CB-CH2 3.79Å; P646-W879 HydrophobicContact CB-CZ2 4.23Å; P646-W879 HydrophobicContact CG-CH2 4.39Å; P646-W879 VanDerWaalsContact O-CH2 3.31Å; P646-W879 WeakPolarHBondContact O-CH2 3.16Å; P648-W879 HydrophobicContact CB-CE3 4Å; P648-W879 HydrophobicContact CB-CZ3 4.1Å; N874-W879 PolarHBondContact ND2-O 2.88Å; N874-W879 PolarHBondContact OD1-O 3.32Å; W879-A881 PolarHBondContact O-N 2.51Å; W879-R884 VanDerWaalsContact CZ2-NH2 3.28Å
880P90.6Very high89.3Confident11 Ų1161.9 Ų61.97%0.07131%0.309CS..PPolyproline II helixtrans-70.5117-179.38.7-3.2000110.6R870 N874 I882 R884R870-P880 HydrophobicContact CG-CB 4.27Å; R870-P880 VanDerWaalsContact CZ-CB 3.46Å; R870-P880 VanDerWaalsContact NH2-CG 3.29Å; N874-P880 WeakPolarHBondContact OD1-CA 3.34Å; P880-I882 VanDerWaalsContact C-N 3.26Å; P880-I882 HydrophobicContact CB-CD1 4.14Å; P880-I882 HydrophobicContact CB-CG1 4.11Å; P880-I882 HydrophobicContact CB-CG2 4.13Å; P880-I882 PolarHBondContact O-N 3.21Å; P880-I882 VanDerWaalsContact O-N 3.13Å; P880-R884 PolarHBondContact O-NH1 2.91Å; P880-R884 PolarHBondContact O-NH2 2.83Å
881A90.4Very high89.6Confident59 Ų5958.4 Ų58.449%0.48830%0.296SS..  trans-84.170.5170.300000109.6N874 W879N874-A881 PolarHBondContact OD1-N 3.45Å; W879-A881 PolarHBondContact O-N 2.51Å
882I91.1Very high89.9Confident47 Ų4756.3 Ų56.324%0.24128%0.278CS..  trans-121.9161.6-176.966.2179.2000111.6S867 R870 P880 R884S867-I882 CarbonylContact O-C 3.52Å; S867-I882 WeakPolarHBondContact O-CA 3.17Å; S867-I882 WeakPolarHBondContact O-CB 3.41Å; R870-I882 HydrophobicContact CG-CG2 4.27Å; P880-I882 VanDerWaalsContact C-N 3.26Å; P880-I882 HydrophobicContact CB-CD1 4.14Å; P880-I882 HydrophobicContact CB-CG1 4.11Å; P880-I882 HydrophobicContact CB-CG2 4.13Å; P880-I882 PolarHBondContact O-N 3.21Å; P880-I882 VanDerWaalsContact O-N 3.13Å; I882-R884 HydrophobicContact CG1-CG 4.35Å; I882-R884 PolarHBondContact O-N 3.23Å
883Y91.3Very high90.3Very high45 Ų4552.3 Ų52.318%0.17626%0.261CS..  trans-61.1124.4174.2-172.9-103.6000110.2Q865 S867 V885 D899 R901 Y903Q865-Y883 HydrophobicContact CG-CD2 3.78Å; Q865-Y883 HydrophobicContact CG-CE2 3.98Å; Q865-Y883 VanDerWaalsContact NE2-CE2 3.32Å; S867-Y883 PolarHBondContact O-N 3.46Å; Y883-V885 HydrophobicContact CD1-CG2 4.33Å; Y883-V885 HydrophobicContact CE1-CG2 3.66Å; Y883-D899 PolarHBondContact OH-OD2 2.76Å; Y883-R901 VanDerWaalsContact CZ-NH2 3.3Å; Y883-R901 PolarHBondContact OH-NH2 2.57Å; Y883-Y903 HydrophobicContact CE2-CE2 4.42Å; Y883-Y903 VanDerWaalsContact CE2-OH 3.32Å; Y883-Y903 WeakPolarHBondContact CE2-OH 3.49Å
884R87.8Confident90.6Very high98 Ų9847.8 Ų47.837%0.3724%0.243SC..  trans-123.1140.3176.1-64.3-171.1-178.696.51.5110.3W879 P880 I882 R901W879-R884 VanDerWaalsContact CZ2-NH2 3.28Å; P880-R884 PolarHBondContact O-NH1 2.91Å; P880-R884 PolarHBondContact O-NH2 2.83Å; I882-R884 HydrophobicContact CG1-CG 4.35Å; I882-R884 PolarHBondContact O-N 3.23Å; R884-R901 PolarHBondContact O-NH1 3.05Å
885V89Confident90.7Very high74 Ų7450.9 Ų50.945%0.44826%0.259SS..  trans-105.3131.8166.8-171.90000105.7Y883 H889 E890Y883-V885 HydrophobicContact CD1-CG2 4.33Å; Y883-V885 HydrophobicContact CE1-CG2 3.66Å; V885-H889 HydrophobicContact CG1-CB 3.7Å; V885-E890 HydrophobicContact CG1-CG 3.59Å
886D89.5Confident91Very high40 Ų4051.8 Ų51.821%0.21426%0.256CS..  trans-120.2171.7-178.5-156.1-21000107.7T843 G888 H889 E890T843-D886 HydrophobicContact CG2-CB 3.91Å; D886-G888 VanDerWaalsContact C-N 3.29Å; D886-G888 PolarHBondContact O-N 3.48Å; D886-H889 PolarHBondContact N-ND1 2.96Å; D886-H889 VanDerWaalsContact N-ND1 3.19Å; D886-H889 WeakPolarHBondContact O-CB 3.29Å; D886-H889 PolarHBondContact O-N 3.09Å; D886-E890 PolarHBondContact O-N 3.08Å; D886-E890 VanDerWaalsContact O-N 3.08Å
887Y91Very high91.1Very high1 Ų152 Ų520%0.00428%0.277CS..Hα-helixtrans-53.6-43.4-170.676.5-86.3000112.7R568 L575 M737 K738 T843 D844 H889 E890 E891R568-Y887 PolarHBondContact NH2-O 2.99Å; L575-Y887 HydrophobicContact CD1-CD1 3.73Å; L575-Y887 HydrophobicContact CD1-CD2 3.69Å; L575-Y887 HydrophobicContact CD1-CE1 4.19Å; L575-Y887 HydrophobicContact CD1-CE2 4.16Å; L575-Y887 HydrophobicContact CD1-CG 3.45Å; L575-Y887 VanDerWaalsContact CD1-CG 3.45Å; L575-Y887 HydrophobicContact CD2-CD2 3.76Å; L575-Y887 HydrophobicContact CD2-CE2 4.45Å; L575-Y887 HydrophobicContact CD2-CG 4.16Å; L575-Y887 HydrophobicContact CG-CD2 4.39Å; L575-Y887 HydrophobicContact CG-CG 4.45Å; M737-Y887 HydrophobicContact CE-CE2 3.88Å; M737-Y887 WeakPolarHBondContact CE-OH 3.27Å; M737-Y887 HydrophobicContact CG-CE2 4.4Å; K738-Y887 HydrophobicContact CD-CE1 4.11Å; T843-Y887 HydrophobicContact CG2-CD1 4.18Å; T843-Y887 HydrophobicContact CG2-CE1 3.84Å; D844-Y887 WeakPolarHBondContact CA-OH 3.32Å; D844-Y887 PolarHBondContact OD1-OH 2.99Å; D844-Y887 VanDerWaalsContact OD1-OH 3.09Å; Y887-H889 VanDerWaalsContact C-N 3.34Å; Y887-H889 PolarHBondContact O-N 3.39Å; Y887-E890 PolarHBondContact O-N 2.91Å; Y887-E891 WeakPolarHBondContact O-CB 3.21Å; Y887-E891 WeakPolarHBondContact O-CG 3.25Å; Y887-E891 PolarHBondContact O-N 3.49Å
888G92.4Very high91.2Very high0 Ų053.9 Ų53.90%029%0.29CS..Hα-helixtrans-65.6-34.9179.400000113.2L846 D886 E891 S892L846-G888 VanDerWaalsContact CD2-C 3.48Å; L846-G888 WeakPolarHBondContact CD2-O 3.32Å; D886-G888 VanDerWaalsContact C-N 3.29Å; D886-G888 PolarHBondContact O-N 3.48Å; G888-E891 PolarHBondContact O-N 2.86Å; G888-S892 WeakPolarHBondContact O-CB 3.42Å; G888-S892 PolarHBondContact O-N 3.03Å
889H93.4Very high91.3Very high16 Ų1652.1 Ų52.17%0.07428%0.284CS..Hα-helixtrans-68.7-42.1176.1-55.5123.4000111.3V885 D886 Y887 K893 R901V885-H889 HydrophobicContact CG1-CB 3.7Å; D886-H889 PolarHBondContact N-ND1 2.96Å; D886-H889 VanDerWaalsContact N-ND1 3.19Å; D886-H889 WeakPolarHBondContact O-CB 3.29Å; D886-H889 PolarHBondContact O-N 3.09Å; Y887-H889 VanDerWaalsContact C-N 3.34Å; Y887-H889 PolarHBondContact O-N 3.39Å; H889-K893 WeakPolarHBondContact O-CB 3.46Å; H889-K893 PolarHBondContact O-N 3.31Å; H889-R901 PolarHBondContact CD2-NE 2.96Å; H889-R901 PolarHBondContact CE1-NH1 3.07Å; H889-R901 VanDerWaalsContact NE2-CD 3.29Å; H889-R901 WeakPolarHBondContact NE2-CD 3.06Å; H889-R901 PolarHBondContact NE2-NE 3.44Å
890E91.9Very high91.5Very high77 Ų7747.7 Ų47.736%0.3627%0.268SS..Hα-helixtrans-64.5-40.7175-66.7179.716700111.7R568 V885 D886 Y887 K893 A894R568-E890 IonicContact CZ-OE2 3.59Å; R568-E890 IonicContact NH1-OE2 3.57Å; R568-E890 PolarHBondContact NH1-OE2 2.92Å; R568-E890 VanDerWaalsContact NH2-CB 3.27Å; R568-E890 IonicContact NH2-OE2 2.75Å; R568-E890 PolarHBondContact NH2-OE2 3.17Å; V885-E890 HydrophobicContact CG1-CG 3.59Å; D886-E890 PolarHBondContact O-N 3.08Å; D886-E890 VanDerWaalsContact O-N 3.08Å; Y887-E890 PolarHBondContact O-N 2.91Å; E890-K893 PolarHBondContact O-N 3.44Å; E890-A894 WeakPolarHBondContact O-CB 3.36Å; E890-A894 PolarHBondContact O-N 3.5Å
891E93.9Very high91.7Very high0 Ų048.8 Ų48.80%027%0.271CS..Hα-helixtrans-64.5-46.7177.1-73.2170.117600111.8R568 I569 L850 R851 Y887 G888 K893 A894 L895R568-E891 VanDerWaalsContact CD-OE1 3.3Å; R568-E891 WeakPolarHBondContact CD-OE1 3.35Å; R568-E891 HydrophobicContact CG-CG 4.44Å; R568-E891 WeakPolarHBondContact CG-OE1 3.39Å; R568-E891 IonicContact CZ-OE1 3.26Å; R568-E891 IonicContact NE-OE1 2.79Å; R568-E891 PolarHBondContact NE-OE1 3.3Å; I569-E891 HydrophobicContact CD1-CB 3.59Å; I569-E891 HydrophobicContact CD1-CG 3.79Å; I569-E891 HydrophobicContact CG1-CB 3.86Å; I569-E891 HydrophobicContact CG1-CG 3.62Å; L850-E891 HydrophobicContact CD1-CB 3.72Å; R851-E891 IonicContact CZ-OE1 3.54Å; R851-E891 IonicContact CZ-OE2 2.7Å; R851-E891 VanDerWaalsContact NH1-CD 3.31Å; R851-E891 IonicContact NH1-OE1 2.84Å; R851-E891 PolarHBondContact NH1-OE1 3.35Å; R851-E891 IonicContact NH1-OE2 2.69Å; R851-E891 PolarHBondContact NH1-OE2 3.45Å; R851-E891 IonicContact NH2-OE1 3.66Å; R851-E891 PolarHBondContact NH2-OE1 3.4Å; R851-E891 IonicContact NH2-OE2 3.98Å; Y887-E891 WeakPolarHBondContact O-CB 3.21Å; Y887-E891 WeakPolarHBondContact O-CG 3.25Å; Y887-E891 PolarHBondContact O-N 3.49Å; G888-E891 PolarHBondContact O-N 2.86Å; E891-K893 VanDerWaalsContact C-N 3.31Å; E891-K893 PolarHBondContact O-N 2.92Å; E891-A894 WeakPolarHBondContact O-CB 3.41Å; E891-A894 PolarHBondContact O-N 2.87Å; E891-A894 VanDerWaalsContact O-N 3.12Å; E891-L895 PolarHBondContact O-N 3.49Å
892S94Very high92Very high1 Ų148.6 Ų48.61%0.00726%0.261CS..Hα-helixtrans-58.5-45.1175.4-174.50000111.3G888 A894 L895 F896 P900G888-S892 WeakPolarHBondContact O-CB 3.42Å; G888-S892 PolarHBondContact O-N 3.03Å; S892-A894 VanDerWaalsContact C-N 3.3Å; S892-A894 PolarHBondContact O-N 2.84Å; S892-L895 PolarHBondContact O-N 3.32Å; S892-F896 PolarHBondContact O-N 3.05Å; S892-P900 WeakPolarHBondContact OG-CB 3.22Å; S892-P900 WeakPolarHBondContact OG-CD 3.21Å; S892-P900 WeakPolarHBondContact OG-CG 3.34Å
893K92.7Very high92.1Very high136 Ų13648.1 Ų48.159%0.59126%0.257SS*.Hα-helixtrans-64-35.9177-172.8177.1-179.5178.50112.1H889 E890 E891 G897 S898H889-K893 WeakPolarHBondContact O-CB 3.46Å; H889-K893 PolarHBondContact O-N 3.31Å; E890-K893 PolarHBondContact O-N 3.44Å; E891-K893 VanDerWaalsContact C-N 3.31Å; E891-K893 PolarHBondContact O-N 2.92Å; K893-G897 WeakPolarHBondContact O-CA 3.48Å; K893-G897 PolarHBondContact O-N 3.04Å; K893-S898 WeakPolarHBondContact CA-O 3.33Å; K893-S898 PolarHBondContact N-O 2.8Å
894A91.5Very high92.3Very high42 Ų4247.7 Ų47.735%0.34726%0.26SS..Hα-helixtrans-69.2-33.1177.800000113A565 E890 E891 S892A565-A894 HydrophobicContact CB-CB 3.75Å; E890-A894 WeakPolarHBondContact O-CB 3.36Å; E890-A894 PolarHBondContact O-N 3.5Å; E891-A894 WeakPolarHBondContact O-CB 3.41Å; E891-A894 PolarHBondContact O-N 2.87Å; E891-A894 VanDerWaalsContact O-N 3.12Å; S892-A894 VanDerWaalsContact C-N 3.3Å; S892-A894 PolarHBondContact O-N 2.84Å
895L91.7Very high92.7Very high85 Ų8543.5 Ų43.545%0.44525%0.245SC..Hα-helixtrans-85-48.1178.5-73171.7000113.2I569 L850 E891 S892I569-L895 HydrophobicContact CD1-CD1 3.71Å; I569-L895 HydrophobicContact CD1-CD2 4.18Å; I569-L895 HydrophobicContact CD1-CG 3.63Å; I569-L895 HydrophobicContact CG2-CD1 4Å; I569-L895 HydrophobicContact CG2-CD2 4.35Å; L850-L895 HydrophobicContact CB-CD1 4.13Å; L850-L895 HydrophobicContact CD2-CD1 3.99Å; L850-L895 HydrophobicContact CG-CD1 4.44Å; E891-L895 PolarHBondContact O-N 3.49Å; S892-L895 PolarHBondContact O-N 3.32Å
896F91.9Very high93Very high80 Ų8041.6 Ų41.635%0.35124%0.235SC..Hα-helixtrans-109.5-0.5-169.1-56.6-54.8000113.9L850 K855 S892 S898L850-F896 HydrophobicContact CD2-CD2 4.15Å; L850-F896 HydrophobicContact CD2-CE2 3.39Å; L850-F896 HydrophobicContact CD2-CZ 4.2Å; K855-F896 WeakPolarHBondContact O-CE1 3.45Å; S892-F896 PolarHBondContact O-N 3.05Å; F896-S898 PolarHBondContact O-N 3.26Å; F896-S898 VanDerWaalsContact O-N 3.16Å
897G91.6Very high93.3Very high63 Ų6340 Ų4065%0.64923%0.227SC*.SBendtrans74-1.917800000115.5K893K893-G897 WeakPolarHBondContact O-CA 3.48Å; K893-G897 PolarHBondContact O-N 3.04Å
898S90.4Very high93.4Very high65 Ų6542.3 Ų42.346%0.45524%0.241SC..SBendtrans-135.2158.8-173.557.60000112.9K893 F896K893-S898 WeakPolarHBondContact CA-O 3.33Å; K893-S898 PolarHBondContact N-O 2.8Å; F896-S898 PolarHBondContact O-N 3.26Å; F896-S898 VanDerWaalsContact O-N 3.16Å
899D91.4Very high93.6Very high53 Ų5346.2 Ų46.228%0.28326%0.258SS..  trans-76.8128170.4-164.4-53000108.5Y883 R901Y883-D899 PolarHBondContact OH-OD2 2.76Å; D899-R901 PolarHBondContact O-N 2.86Å; D899-R901 WeakPolarHBondContact OD1-CB 3.31Å; D899-R901 WeakPolarHBondContact OD1-CG 3.27Å; D899-R901 IonicContact OD1-CZ 3.38Å; D899-R901 PolarHBondContact OD1-N 3.47Å; D899-R901 VanDerWaalsContact OD1-N 3.09Å; D899-R901 IonicContact OD1-NE 3.9Å; D899-R901 PolarHBondContact OD1-NE 3.35Å; D899-R901 IonicContact OD1-NH2 3.17Å; D899-R901 IonicContact OD2-CZ 2.68Å; D899-R901 IonicContact OD2-NE 3.81Å; D899-R901 IonicContact OD2-NH2 2.74Å; D899-R901 PolarHBondContact OD2-NH2 3.43Å
900P94Very high93.9Very high9 Ų945.9 Ų45.96%0.05826%0.257CS..  trans-75.4-5.8-174.530.8-35.6000113.2L846 V857 V858 T859 S892L846-P900 HydrophobicContact CD1-CB 4.36Å; L846-P900 HydrophobicContact CD1-CG 4.11Å; L846-P900 HydrophobicContact CD2-CG 3.67Å; V857-P900 VanDerWaalsContact O-CB 3.27Å; V857-P900 WeakPolarHBondContact O-CB 3.42Å; V858-P900 CarbonylContact C-O 3.58Å; T859-P900 PolarHBondContact N-O 3.48Å; T859-P900 PolarHBondContact OG1-O 2.79Å; S892-P900 WeakPolarHBondContact OG-CB 3.22Å; S892-P900 WeakPolarHBondContact OG-CD 3.21Å; S892-P900 WeakPolarHBondContact OG-CG 3.34Å
901R95.7Very high94.1Very high34 Ų3444.3 Ų44.313%0.12825%0.25CS..EExtended strand (participates in β ladder)trans-88.2134.4-171.6-67.3172.3-71.4-174-0.2113T859 Y883 R884 H889 D899 Y903T859-R901 CarbonylContact O-C 3.59Å; T859-R901 WeakPolarHBondContact O-CA 3.16Å; T859-R901 VanDerWaalsContact OG1-CA 3.25Å; T859-R901 WeakPolarHBondContact OG1-CA 3.41Å; T859-R901 WeakPolarHBondContact OG1-CG 3.34Å; T859-R901 PolarHBondContact OG1-N 2.88Å; Y883-R901 VanDerWaalsContact CZ-NH2 3.3Å; Y883-R901 PolarHBondContact OH-NH2 2.57Å; R884-R901 PolarHBondContact O-NH1 3.05Å; H889-R901 PolarHBondContact CD2-NE 2.96Å; H889-R901 PolarHBondContact CE1-NH1 3.07Å; H889-R901 VanDerWaalsContact NE2-CD 3.29Å; H889-R901 WeakPolarHBondContact NE2-CD 3.06Å; H889-R901 PolarHBondContact NE2-NE 3.44Å; D899-R901 PolarHBondContact O-N 2.86Å; D899-R901 WeakPolarHBondContact OD1-CB 3.31Å; D899-R901 WeakPolarHBondContact OD1-CG 3.27Å; D899-R901 IonicContact OD1-CZ 3.38Å; D899-R901 PolarHBondContact OD1-N 3.47Å; D899-R901 VanDerWaalsContact OD1-N 3.09Å; D899-R901 IonicContact OD1-NE 3.9Å; D899-R901 PolarHBondContact OD1-NE 3.35Å; D899-R901 IonicContact OD1-NH2 3.17Å; D899-R901 IonicContact OD2-CZ 2.68Å; D899-R901 IonicContact OD2-NE 3.81Å; D899-R901 IonicContact OD2-NH2 2.74Å; D899-R901 PolarHBondContact OD2-NH2 3.43Å; R901-Y903 HydrophobicContact CB-CE2 3.9Å; R901-Y903 WeakPolarHBondContact CD-OH 3.4Å; R901-Y903 PolarHBondContact NE-OH 3.06Å; R901-Y903 PolarHBondContact NH1-OH 2.89Å
902I95.6Very high94.2Very high54 Ų5448.1 Ų48.128%0.27727%0.27SS..EExtended strand (participates in β ladder)trans-116.4122.9167.9-51.8-173.3000107.6V858 T859 F860 E861 I905 F948V858-I902 HydrophobicContact CG1-CD1 3.8Å; V858-I902 HydrophobicContact CG1-CG1 4.08Å; T859-I902 PolarHBondContact O-N 2.81Å; F860-I902 HydrophobicContact CD1-CB 4.17Å; F860-I902 HydrophobicContact CE1-CB 4.44Å; F860-I902 HydrophobicContact CE1-CD1 4Å; E861-I902 PolarHBondContact N-O 3.44Å; I902-I905 HydrophobicContact CB-CD1 4.49Å; I902-I905 HydrophobicContact CB-CG2 4.2Å; I902-I905 HydrophobicContact CG2-CB 4.16Å; I902-I905 HydrophobicContact CG2-CD1 3.75Å; I902-I905 HydrophobicContact CG2-CG2 4.01Å; I902-I905 VanDerWaalsContact O-CG2 3.26Å; I902-I905 WeakPolarHBondContact O-CG2 3.29Å; I902-F948 HydrophobicContact CD1-CD1 4.18Å; I902-F948 HydrophobicContact CD1-CE1 3.32Å; I902-F948 HydrophobicContact CD1-CZ 3.81Å
903Y94.4Very high94.2Very high38 Ų3852 Ų5215%0.14929%0.292CS..  trans-97163.4-176.9-64.4-85.2000111.5E861 Q865 Y883 R901 I905E861-Y903 HydrophobicContact CB-CD1 3.97Å; E861-Y903 HydrophobicContact CB-CE1 4.36Å; E861-Y903 HydrophobicContact CG-CD1 3.91Å; E861-Y903 HydrophobicContact CG-CE1 4.26Å; E861-Y903 CarbonylContact O-C 3.45Å; E861-Y903 WeakPolarHBondContact O-CA 3.2Å; Q865-Y903 HydrophobicContact CB-CD1 4.04Å; Q865-Y903 HydrophobicContact CB-CD2 3.79Å; Q865-Y903 HydrophobicContact CB-CE1 4.31Å; Q865-Y903 HydrophobicContact CB-CE2 4.1Å; Q865-Y903 HydrophobicContact CB-CG 3.76Å; Q865-Y903 HydrophobicContact CG-CD2 4.07Å; Q865-Y903 HydrophobicContact CG-CE1 4.36Å; Q865-Y903 HydrophobicContact CG-CE2 3.86Å; Q865-Y903 HydrophobicContact CG-CG 4.42Å; Y883-Y903 HydrophobicContact CE2-CE2 4.42Å; Y883-Y903 VanDerWaalsContact CE2-OH 3.32Å; Y883-Y903 WeakPolarHBondContact CE2-OH 3.49Å; R901-Y903 HydrophobicContact CB-CE2 3.9Å; R901-Y903 WeakPolarHBondContact CD-OH 3.4Å; R901-Y903 PolarHBondContact NE-OH 3.06Å; R901-Y903 PolarHBondContact NH1-OH 2.89Å; Y903-I905 PolarHBondContact O-N 3.49Å
904S94.7Very high94.1Very high36 Ų3649 Ų4925%0.25230%0.299SS..SBendtrans53.542.9176-60.50000111.6E861 L863 G864 Q925 V926E861-S904 PolarHBondContact O-N 3.48Å; L863-S904 PolarHBondContact O-N 3.27Å; G864-S904 VanDerWaalsContact CA-OG 3.31Å; G864-S904 WeakPolarHBondContact CA-OG 3.43Å; S904-Q925 CarbonylContact O-C 3.59Å; S904-Q925 WeakPolarHBondContact O-CA 3.31Å; S904-V926 VanDerWaalsContact CB-O 3.26Å; S904-V926 WeakPolarHBondContact CB-O 3.2Å; S904-V926 PolarHBondContact O-N 3.31Å
905I95.7Very high94.1Very high10 Ų1049.9 Ų49.95%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-128.5138.2-175.5-169.4163.3000110.7F860 E861 I902 Y903 A923 V924 F948F860-I905 HydrophobicContact CB-CG2 3.68Å; F860-I905 HydrophobicContact CD1-CD1 4.17Å; F860-I905 HydrophobicContact CD1-CG2 3.88Å; F860-I905 HydrophobicContact CD2-CD1 4.38Å; F860-I905 HydrophobicContact CD2-CG1 4.31Å; F860-I905 HydrophobicContact CD2-CG2 4.15Å; F860-I905 HydrophobicContact CE1-CD1 3.82Å; F860-I905 HydrophobicContact CE2-CD1 4.04Å; F860-I905 HydrophobicContact CE2-CG1 4.31Å; F860-I905 HydrophobicContact CG-CD1 4.45Å; F860-I905 HydrophobicContact CG-CG2 3.63Å; F860-I905 HydrophobicContact CZ-CD1 3.74Å; F860-I905 HydrophobicContact CZ-CG1 4.49Å; E861-I905 PolarHBondContact O-N 2.75Å; I902-I905 HydrophobicContact CB-CD1 4.49Å; I902-I905 HydrophobicContact CB-CG2 4.2Å; I902-I905 HydrophobicContact CG2-CB 4.16Å; I902-I905 HydrophobicContact CG2-CD1 3.75Å; I902-I905 HydrophobicContact CG2-CG2 4.01Å; I902-I905 VanDerWaalsContact O-CG2 3.26Å; I902-I905 WeakPolarHBondContact O-CG2 3.29Å; Y903-I905 PolarHBondContact O-N 3.49Å; I905-A923 HydrophobicContact CD1-CB 3.81Å; I905-A923 HydrophobicContact CG1-CB 3.67Å; I905-V924 WeakPolarHBondContact CA-O 3.47Å; I905-F948 HydrophobicContact CD1-CE2 3.66Å; I905-F948 HydrophobicContact CD1-CZ 3.75Å
906S94.7Very high94.2Very high33 Ų3347 Ų4723%0.23129%0.293CS..EExtended strand (participates in β ladder)trans-131.3129.5176.9-174.40000110.4A923 V924S906-A923 CarbonylContact O-C 3.39Å; S906-A923 VanDerWaalsContact O-CA 3.25Å; S906-A923 WeakPolarHBondContact O-CA 3.15Å; S906-A923 WeakPolarHBondContact O-CB 3.31Å; S906-V924 PolarHBondContact N-O 2.9Å; S906-V924 PolarHBondContact O-N 2.97Å
907S95.7Very high94.3Very high7 Ų746.4 Ų46.45%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-70.4136.9175.5-49.30000111I836I836-S907 WeakPolarHBondContact CD1-OG 3.37Å
908T95.1Very high94.6Very high50 Ų5043.7 Ų43.731%0.30726%0.262SS..EExtended strand (participates in β ladder)trans-111.9-33.8-17956.90000113.3P795 T922 V924P795-T908 WeakPolarHBondContact CD-O 3.4Å; T908-T922 PolarHBondContact N-O 3.15Å; T908-T922 PolarHBondContact OG1-O 3Å; T908-V924 HydrophobicContact CG2-CB 4.33Å; T908-V924 HydrophobicContact CG2-CG1 3.83Å; T908-V924 HydrophobicContact CG2-CG2 3.65Å
909K96.5Very high94.9Very high82 Ų8242.5 Ų42.536%0.35725%0.253SS..EExtended strand (participates in β ladder)trans-154.9150.6173.657.1176.4177.6-175.10112P795 L911 T922P795-K909 HydrophobicContact CB-CB 4.17Å; K909-L911 HydrophobicContact CD-CD2 4Å; K909-L911 HydrophobicContact CG-CD2 4.24Å; K909-T922 WeakPolarHBondContact CE-OG1 3.25Å; K909-T922 HydrophobicContact CG-CG2 4.42Å; K909-T922 PolarHBondContact N-O 3.04Å; K909-T922 PolarHBondContact O-N 3.49Å
910F97.8Very high95.1Very high9 Ų940 Ų404%0.03924%0.24CC..EExtended strand (participates in β ladder)trans-92141.7165.9-58.3-67.9000109.6L792 I794 P795 R797 L799 I802 I836 V918 V921 V953 L955L792-F910 HydrophobicContact CD2-CZ 4.11Å; I794-F910 HydrophobicContact CD1-CD2 3.96Å; I794-F910 HydrophobicContact CD1-CE1 4.34Å; I794-F910 HydrophobicContact CD1-CE2 3.62Å; I794-F910 HydrophobicContact CD1-CZ 3.82Å; I794-F910 HydrophobicContact CG1-CD2 3.61Å; I794-F910 HydrophobicContact CG1-CE2 3.35Å; I794-F910 HydrophobicContact CG1-CZ 4.07Å; P795-F910 PolarHBondContact O-N 3.4Å; R797-F910 HydrophobicContact CB-CD2 4.35Å; R797-F910 HydrophobicContact CB-CE2 4.32Å; L799-F910 HydrophobicContact CD1-CB 4.12Å; I802-F910 HydrophobicContact CD1-CB 3.84Å; I802-F910 HydrophobicContact CD1-CD1 3.84Å; I802-F910 HydrophobicContact CD1-CD2 3.6Å; I802-F910 HydrophobicContact CD1-CE1 4.3Å; I802-F910 HydrophobicContact CD1-CE2 4.02Å; I802-F910 HydrophobicContact CD1-CG 3.47Å; I802-F910 VanDerWaalsContact CD1-CG 3.47Å; I802-F910 HydrophobicContact CD1-CZ 4.36Å; I802-F910 HydrophobicContact CG1-CD1 4.48Å; I802-F910 HydrophobicContact CG2-CZ 4.29Å; I836-F910 HydrophobicContact CD1-CE1 4.18Å; I836-F910 HydrophobicContact CD1-CZ 4.25Å; F910-V918 HydrophobicContact CB-CG2 4.35Å; F910-V918 HydrophobicContact CD1-CG2 4.46Å; F910-V921 HydrophobicContact CD1-CG1 4.21Å; F910-V921 HydrophobicContact CD1-CG2 3.83Å; F910-V921 HydrophobicContact CE1-CG1 4.19Å; F910-V921 HydrophobicContact CE1-CG2 4.05Å; F910-V953 HydrophobicContact CD1-CG2 4.29Å; F910-V953 HydrophobicContact CE1-CB 4.41Å; F910-V953 HydrophobicContact CE1-CG1 3.84Å; F910-V953 HydrophobicContact CE1-CG2 4.17Å; F910-V953 HydrophobicContact CZ-CG1 4.39Å; F910-L955 HydrophobicContact CZ-CD2 4.41Å
911L96.9Very high95.3Very high43 Ų4339.6 Ų39.623%0.22524%0.238CC..EExtended strand (participates in β ladder)trans-105.2134.8-176.5-57.3179.5000110.4K909 V918 C919 G920 T947K909-L911 HydrophobicContact CD-CD2 4Å; K909-L911 HydrophobicContact CG-CD2 4.24Å; L911-V918 CarbonylContact O-C 3.59Å; L911-V918 WeakPolarHBondContact O-CA 3.49Å; L911-C919 PolarHBondContact O-N 3.5Å; L911-C919 PolarHBondContact O-SG 3.38Å; L911-C919 VanDerWaalsContact O-SG 3.42Å; L911-G920 PolarHBondContact N-O 2.95Å; L911-T947 HydrophobicContact CD1-CG2 3.33Å
912D95.5Very high95.3Very high80 Ų8038 Ų3843%0.42823%0.232SC..EExtended strand (participates in β ladder)trans-84.4140.4178-165-16.1000110.7L799 G914 G916 H917 C919L799-D912 HydrophobicContact CD1-CB 4.02Å; L799-D912 HydrophobicContact CD2-CB 3.7Å; L799-D912 WeakPolarHBondContact CD2-OD2 3.36Å; D912-G914 PolarHBondContact O-N 2.96Å; D912-G914 PolarHBondContact OD1-N 2.96Å; D912-G916 VanDerWaalsContact OD1-CA 3.31Å; D912-G916 WeakPolarHBondContact OD1-CA 3.46Å; D912-G916 PolarHBondContact OD1-N 2.96Å; D912-H917 CarbonylContact C-O 3.5Å; D912-H917 WeakPolarHBondContact CA-O 3.26Å; D912-H917 PolarHBondContact OD1-N 2.86Å; D912-C919 VanDerWaalsContact C-SG 3.51Å; D912-C919 PolarHBondContact O-SG 3.32Å
913D93.8Very high95.4Very high84 Ų8435.5 Ų35.545%0.44922%0.219SC..  trans-76.9-4.7169.875.5-21.9000113.2S915 G916 H917 C919D913-S915 VanDerWaalsContact C-N 3.35Å; D913-S915 VanDerWaalsContact OD1-CA 3.29Å; D913-S915 WeakPolarHBondContact OD1-CA 3.44Å; D913-S915 WeakPolarHBondContact OD1-CB 3.38Å; D913-S915 PolarHBondContact OD1-N 3.42Å; D913-S915 PolarHBondContact OD1-OG 3.1Å; D913-S915 PolarHBondContact OD2-OG 3.15Å; D913-G916 PolarHBondContact OD1-N 3.14Å; D913-H917 PolarHBondContact N-O 3.31Å; D913-H917 PolarHBondContact OD1-N 3.11Å; D913-C919 HydrophobicContact CB-CB 3.85Å
914G91.6Very high95.5Very high72 Ų7234.2 Ų34.274%0.74222%0.215SC*.SBendtrans90.4-3.7-175.100000113.6D912D912-G914 PolarHBondContact O-N 2.96Å; D912-G914 PolarHBondContact OD1-N 2.96Å
915S91.8Very high95.5Very high61 Ų6137.1 Ų37.143%0.42723%0.225SC..SBendtrans-110.16174.787.40000112.7R800 D913 H917R800-S915 PolarHBondContact NH2-O 3.33Å; D913-S915 VanDerWaalsContact C-N 3.35Å; D913-S915 VanDerWaalsContact OD1-CA 3.29Å; D913-S915 WeakPolarHBondContact OD1-CA 3.44Å; D913-S915 WeakPolarHBondContact OD1-CB 3.38Å; D913-S915 PolarHBondContact OD1-N 3.42Å; D913-S915 PolarHBondContact OD1-OG 3.1Å; D913-S915 PolarHBondContact OD2-OG 3.15Å; S915-H917 PolarHBondContact OG-ND1 3.28Å
916G93.2Very high95.4Very high24 Ų2436.7 Ų36.725%0.24722%0.222CC..SBendtrans80.124.3-175.800000113.2R800 D912 D913R800-G916 WeakPolarHBondContact CB-O 3.49Å; R800-G916 PolarHBondContact N-O 3.31Å; D912-G916 VanDerWaalsContact OD1-CA 3.31Å; D912-G916 WeakPolarHBondContact OD1-CA 3.46Å; D912-G916 PolarHBondContact OD1-N 2.96Å; D913-G916 PolarHBondContact OD1-N 3.14Å
917H95Very high95.2Very high68 Ų6840.8 Ų40.832%0.31524%0.238SC..BIsolated β-bridgetrans-113.4152.3170.4-6791.2000111.1R800 D912 D913 S915 C919R800-H917 WeakPolarHBondContact CB-CD2 3.39Å; R800-H917 PolarHBondContact NE-CE1 3.22Å; R800-H917 VanDerWaalsContact NE-CE1 3.34Å; R800-H917 PolarHBondContact NE-NE2 3.01Å; R800-H917 PolarHBondContact NH2-CE1 2.73Å; R800-H917 PolarHBondContact NH2-ND1 3.04Å; R800-H917 CarbonylContact O-C 3.54Å; R800-H917 WeakPolarHBondContact O-CA 3.37Å; D912-H917 CarbonylContact C-O 3.5Å; D912-H917 WeakPolarHBondContact CA-O 3.26Å; D912-H917 PolarHBondContact OD1-N 2.86Å; D913-H917 PolarHBondContact N-O 3.31Å; D913-H917 PolarHBondContact OD1-N 3.11Å; S915-H917 PolarHBondContact OG-ND1 3.28Å; H917-C919 PolarHBondContact O-N 3.01Å
918V96.5Very high94.8Very high5 Ų544.9 Ų44.93%0.0325%0.252CS..EExtended strand (participates in β ladder)trans-67.9129.2173.268.90000110.5L799 R800 I802 F910 L911 G920 A950 V953L799-V918 HydrophobicContact CB-CB 4.46Å; R800-V918 PolarHBondContact O-N 3.21Å; I802-V918 HydrophobicContact CD1-CB 4.45Å; I802-V918 HydrophobicContact CG1-CB 4.09Å; I802-V918 HydrophobicContact CG1-CG1 4.18Å; I802-V918 HydrophobicContact CG1-CG2 4.4Å; F910-V918 HydrophobicContact CB-CG2 4.35Å; F910-V918 HydrophobicContact CD1-CG2 4.46Å; L911-V918 CarbonylContact O-C 3.59Å; L911-V918 WeakPolarHBondContact O-CA 3.49Å; V918-G920 WeakPolarHBondContact CG2-O 3.29Å; V918-A950 CarbonylContact C-O 3.32Å; V918-A950 VanDerWaalsContact O-O 3.06Å; V918-V953 HydrophobicContact CG1-CG2 4.27Å; V918-V953 HydrophobicContact CG2-CG2 4.05Å
919C96.6Very high94.2Very high41 Ų4143.8 Ų43.828%0.27725%0.247SC..EExtended strand (participates in β ladder)trans-110.6-13.2170.367.60000113.1L911 D912 D913 H917 E949 A950L911-C919 PolarHBondContact O-N 3.5Å; L911-C919 PolarHBondContact O-SG 3.38Å; L911-C919 VanDerWaalsContact O-SG 3.42Å; D912-C919 VanDerWaalsContact C-SG 3.51Å; D912-C919 PolarHBondContact O-SG 3.32Å; D913-C919 HydrophobicContact CB-CB 3.85Å; H917-C919 PolarHBondContact O-N 3.01Å; C919-E949 WeakPolarHBondContact O-CA 3.47Å; C919-A950 CarbonylContact C-O 3.22Å; C919-A950 VanDerWaalsContact CA-O 3.27Å; C919-A950 WeakPolarHBondContact CA-O 3.41Å; C919-A950 PolarHBondContact O-N 3.29Å
920G96.4Very high93.5Very high1 Ų149 Ų491%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-178.6176179.600000114.6L911 V918 F948 A950L911-G920 PolarHBondContact N-O 2.95Å; V918-G920 WeakPolarHBondContact CG2-O 3.29Å; G920-F948 CarbonylContact C-O 3.51Å; G920-F948 WeakPolarHBondContact CA-O 3.38Å; G920-A950 PolarHBondContact N-O 3.03Å
921V97Very high92.7Very high0 Ų051.2 Ų51.20%028%0.276CS..EExtended strand (participates in β ladder)trans-132122.5179.9-170.50000108.4L834 F860 F910 F948 A950 V953L834-V921 HydrophobicContact CD1-CB 3.98Å; L834-V921 HydrophobicContact CD1-CG2 3.77Å; L834-V921 HydrophobicContact CD2-CG2 4.18Å; L834-V921 HydrophobicContact CG-CG2 4.46Å; F860-V921 HydrophobicContact CE2-CG1 4.42Å; F910-V921 HydrophobicContact CD1-CG1 4.21Å; F910-V921 HydrophobicContact CD1-CG2 3.83Å; F910-V921 HydrophobicContact CE1-CG1 4.19Å; F910-V921 HydrophobicContact CE1-CG2 4.05Å; V921-F948 PolarHBondContact N-O 2.7Å; V921-F948 PolarHBondContact O-N 2.69Å; V921-A950 HydrophobicContact CG2-CB 4.32Å; V921-V953 HydrophobicContact CG2-CG2 3.74Å
922T96.9Very high91.9Very high0 Ų059.2 Ų59.20%031%0.312CS..EExtended strand (participates in β ladder)trans-83.2134.1166-55.10000108.5T908 K909 E945 K946 T947T908-T922 PolarHBondContact N-O 3.15Å; T908-T922 PolarHBondContact OG1-O 3Å; K909-T922 WeakPolarHBondContact CE-OG1 3.25Å; K909-T922 HydrophobicContact CG-CG2 4.42Å; K909-T922 PolarHBondContact N-O 3.04Å; K909-T922 PolarHBondContact O-N 3.49Å; T922-E945 VanDerWaalsContact CG2-CD 3.41Å; T922-E945 HydrophobicContact CG2-CG 3.29Å; T922-K946 WeakPolarHBondContact CA-O 3.48Å; T922-T947 PolarHBondContact OG1-OG1 2.89Å
923A96.6Very high91.2Very high1 Ų160 Ų601%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-141.2156.8-179.600000110.8F860 I905 S906 E945 K946 F948F860-A923 HydrophobicContact CD2-CB 4.49Å; F860-A923 HydrophobicContact CE2-CB 3.68Å; F860-A923 HydrophobicContact CZ-CB 4.21Å; I905-A923 HydrophobicContact CD1-CB 3.81Å; I905-A923 HydrophobicContact CG1-CB 3.67Å; S906-A923 CarbonylContact O-C 3.39Å; S906-A923 VanDerWaalsContact O-CA 3.25Å; S906-A923 WeakPolarHBondContact O-CA 3.15Å; S906-A923 WeakPolarHBondContact O-CB 3.31Å; A923-E945 WeakPolarHBondContact O-CA 3.24Å; A923-K946 PolarHBondContact N-O 3.4Å; A923-K946 PolarHBondContact O-N 3.24Å; A923-F948 HydrophobicContact CB-CD2 4.39Å; A923-F948 HydrophobicContact CB-CE2 4.25Å
924V96.4Very high90.3Very high11 Ų1158 Ų587%0.06732%0.323CS..EExtended strand (participates in β ladder)trans-123.8151.8179.2-65.90000109I905 S906 T908 V926 T940 E945I905-V924 WeakPolarHBondContact CA-O 3.47Å; S906-V924 PolarHBondContact N-O 2.9Å; S906-V924 PolarHBondContact O-N 2.97Å; T908-V924 HydrophobicContact CG2-CB 4.33Å; T908-V924 HydrophobicContact CG2-CG1 3.83Å; T908-V924 HydrophobicContact CG2-CG2 3.65Å; V924-V926 HydrophobicContact CG2-CG1 4.17Å; V924-T940 HydrophobicContact CB-CG2 3.69Å; V924-T940 HydrophobicContact CG1-CG2 4.13Å; V924-T940 HydrophobicContact CG2-CG2 3.45Å; V924-T940 VanDerWaalsContact CG2-CG2 3.45Å; V924-E945 HydrophobicContact CG1-CB 4.04Å; V924-E945 HydrophobicContact CG1-CG 4.28Å
925Q95.4Very high89.7Confident98 Ų9863.2 Ų63.246%0.45832%0.321SS..EExtended strand (participates in β ladder)trans-72.9145.8168.5-66.3-177-1100110.3S904 L941 T944S904-Q925 CarbonylContact O-C 3.59Å; S904-Q925 WeakPolarHBondContact O-CA 3.31Å; Q925-L941 HydrophobicContact CB-CB 4.26Å; Q925-L941 HydrophobicContact CB-CD1 3.88Å; Q925-L941 HydrophobicContact CB-CG 4.36Å; Q925-L941 PolarHBondContact O-N 3.39Å; Q925-T944 HydrophobicContact CB-CG2 3.97Å; Q925-T944 WeakPolarHBondContact CB-OG1 3.14Å; Q925-T944 HydrophobicContact CG-CG2 4.24Å; Q925-T944 PolarHBondContact N-OG1 2.98Å
926V93.8Very high89.1Confident1 Ų164.8 Ų64.81%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-134.9145.9-176-670000111.1I862 S904 V924 L938 K939I862-V926 HydrophobicContact CG1-CG2 4.08Å; S904-V926 VanDerWaalsContact CB-O 3.26Å; S904-V926 WeakPolarHBondContact CB-O 3.2Å; S904-V926 PolarHBondContact O-N 3.31Å; V924-V926 HydrophobicContact CG2-CG1 4.17Å; V926-L938 HydrophobicContact CB-CD1 3.66Å; V926-L938 HydrophobicContact CB-CD2 4.18Å; V926-L938 HydrophobicContact CB-CG 3.83Å; V926-L938 HydrophobicContact CG1-CD1 4.4Å; V926-L938 HydrophobicContact CG1-CD2 4.01Å; V926-L938 HydrophobicContact CG1-CG 4.08Å; V926-L938 HydrophobicContact CG2-CD1 3.72Å; V926-L938 HydrophobicContact CG2-CD2 4.37Å; V926-L938 HydrophobicContact CG2-CG 4.29Å; V926-K939 CarbonylContact C-O 3.35Å; V926-K939 VanDerWaalsContact CA-O 3.27Å; V926-K939 WeakPolarHBondContact CA-O 3.44Å
927Q90.9Very high88.7Confident119 Ų11965.8 Ų65.856%0.55632%0.324SS*.EExtended strand (participates in β ladder)trans-127.3134.7175.7-172.3176.9-1.800110K939 L941Q927-K939 PolarHBondContact N-O 3.28Å; Q927-K939 PolarHBondContact O-N 2.89Å; Q927-L941 HydrophobicContact CB-CD2 4.26Å
928W86Confident88.3Confident93 Ų9365.5 Ų65.535%0.35232%0.324SS..EExtended strand (participates in β ladder)trans-80.5128.6172.2-71.391.5000110.4I862 M936 L938I862-W928 HydrophobicContact CD1-CZ2 4.29Å; I862-W928 HydrophobicContact CG1-CZ2 4.48Å; I862-W928 PolarHBondContact O-NE1 3.34Å; W928-M936 HydrophobicContact CB-CE 3.69Å; W928-M936 HydrophobicContact CE3-CB 3.92Å; W928-M936 HydrophobicContact CG-CE 4.45Å; W928-M936 HydrophobicContact CZ3-CB 4.2Å; W928-L938 HydrophobicContact CD2-CD1 3.78Å; W928-L938 VanDerWaalsContact CE2-CD1 3.44Å; W928-L938 HydrophobicContact CE3-CB 4.43Å; W928-L938 HydrophobicContact CE3-CD1 4.36Å; W928-L938 HydrophobicContact CG-CD1 4.11Å; W928-L938 HydrophobicContact CH2-CB 4.42Å; W928-L938 HydrophobicContact CH2-CD1 4.41Å; W928-L938 HydrophobicContact CZ2-CD1 3.81Å; W928-L938 HydrophobicContact CZ3-CB 4.32Å
929S83.4Confident87.9Confident27 Ų2771.3 Ų71.319%0.18935%0.349CS..EExtended strand (participates in β ladder)trans-132.4148.5175.965.20000110.5M936 T937 K939S929-M936 CarbonylContact O-C 3.54Å; S929-M936 WeakPolarHBondContact O-CA 3.5Å; S929-T937 PolarHBondContact N-O 3.38Å; S929-T937 PolarHBondContact O-N 2.98Å; S929-T937 PolarHBondContact O-OG1 3.02Å; S929-T937 PolarHBondContact OG-OG1 2.81Å; S929-K939 WeakPolarHBondContact OG-CD 3.24Å; S929-K939 WeakPolarHBondContact OG-CE 3.25Å
930R81.4Confident87.6Confident192 Ų19273.5 Ų73.573%0.72536%0.361SS*.EExtended strand (participates in β ladder)trans-79.8130.8169.5-70.2-175.6-176.6-167.42.4108.7R935 M936R930-R935 WeakPolarHBondContact CA-O 3.37Å; R930-M936 HydrophobicContact CG-SD 3.38Å; R930-M936 WeakPolarHBondContact CG-SD 3.4Å
931D81.7Confident87.3Confident55 Ų5576.1 Ų76.129%0.29438%0.375SS..  trans-74.8177.3165.566.224.9000111S933 G934 R935 T937D931-S933 PolarHBondContact O-N 3.42Å; D931-S933 VanDerWaalsContact O-N 3.16Å; D931-S933 WeakPolarHBondContact OD1-CA 3.5Å; D931-S933 WeakPolarHBondContact OD1-CB 3.34Å; D931-S933 PolarHBondContact OD1-N 2.98Å; D931-S933 PolarHBondContact OD1-OG 3.01Å; D931-S933 PolarHBondContact OD2-OG 3.07Å; D931-G934 WeakPolarHBondContact O-CA 3.3Å; D931-G934 PolarHBondContact O-N 3.26Å; D931-G934 PolarHBondContact OD1-N 3.1Å; D931-G934 VanDerWaalsContact OD1-N 3.16Å; D931-R935 VanDerWaalsContact CG-O 3.29Å; D931-R935 PolarHBondContact N-O 3.41Å; D931-R935 PolarHBondContact OD1-N 2.77Å; D931-R935 WeakPolarHBondContact OD2-CB 3.26Å; D931-T937 HydrophobicContact CB-CG2 4.02Å; D931-T937 WeakPolarHBondContact OD2-CG2 3.41Å
932E80.8Confident86.9Confident210 Ų21081.3 Ų81.398%0.98141%0.409SS*.THydrogen-bonded Turntrans-60.2-23.2-179.9-63.8175.7-177.500113.1G934E932-G934 VanDerWaalsContact C-N 3.28Å
933S80.1Confident86.6Confident96 Ų9691.1 Ų91.167%0.67145%0.454SS*.THydrogen-bonded Turntrans-84.4-2.1175.177.80000113.4D931 R935D931-S933 PolarHBondContact O-N 3.42Å; D931-S933 VanDerWaalsContact O-N 3.16Å; D931-S933 WeakPolarHBondContact OD1-CA 3.5Å; D931-S933 WeakPolarHBondContact OD1-CB 3.34Å; D931-S933 PolarHBondContact OD1-N 2.98Å; D931-S933 PolarHBondContact OD1-OG 3.01Å; D931-S933 PolarHBondContact OD2-OG 3.07Å; S933-R935 VanDerWaalsContact C-N 3.26Å; S933-R935 PolarHBondContact O-N 2.96Å; S933-R935 WeakPolarHBondContact OG-CB 3.31Å
934G75.6Confident86.5Confident42 Ų4292.6 Ų92.643%0.43346%0.463SS..SBendtrans79.44.5-174.300000113.9D931 E932D931-G934 WeakPolarHBondContact O-CA 3.3Å; D931-G934 PolarHBondContact O-N 3.26Å; D931-G934 PolarHBondContact OD1-N 3.1Å; D931-G934 VanDerWaalsContact OD1-N 3.16Å; E932-G934 VanDerWaalsContact C-N 3.28Å
935R78.1Confident86.4Confident183 Ų18398 Ų9869%0.69149%0.488SS*.  trans-79.7136.1178.1-176-177.7-177178.40.7109.5R930 D931 S933 T937R930-R935 WeakPolarHBondContact CA-O 3.37Å; D931-R935 VanDerWaalsContact CG-O 3.29Å; D931-R935 PolarHBondContact N-O 3.41Å; D931-R935 PolarHBondContact OD1-N 2.77Å; D931-R935 WeakPolarHBondContact OD2-CB 3.26Å; S933-R935 VanDerWaalsContact C-N 3.26Å; S933-R935 PolarHBondContact O-N 2.96Å; S933-R935 WeakPolarHBondContact OG-CB 3.31Å; R935-T937 PolarHBondContact O-N 3.31Å
936M79.1Confident86.4Confident94 Ų9499.5 Ų99.546%0.46349%0.493SS..EExtended strand (participates in β ladder)trans-72.2120.9177.4-65.5-66.9-76.300109.7W928 S929 R930W928-M936 HydrophobicContact CB-CE 3.69Å; W928-M936 HydrophobicContact CE3-CB 3.92Å; W928-M936 HydrophobicContact CG-CE 4.45Å; W928-M936 HydrophobicContact CZ3-CB 4.2Å; S929-M936 CarbonylContact O-C 3.54Å; S929-M936 WeakPolarHBondContact O-CA 3.5Å; R930-M936 HydrophobicContact CG-SD 3.38Å; R930-M936 WeakPolarHBondContact CG-SD 3.4Å
937T84.1Confident86.5Confident44 Ų44102.9 Ų102.927%0.2751%0.514SS..EExtended strand (participates in β ladder)trans-117.3140.5176.856.60000109.9S929 D931 R935S929-T937 PolarHBondContact N-O 3.38Å; S929-T937 PolarHBondContact O-N 2.98Å; S929-T937 PolarHBondContact O-OG1 3.02Å; S929-T937 PolarHBondContact OG-OG1 2.81Å; D931-T937 HydrophobicContact CB-CG2 4.02Å; D931-T937 WeakPolarHBondContact OD2-CG2 3.41Å; R935-T937 PolarHBondContact O-N 3.31Å
938L86.5Confident86.8Confident63 Ų6398.6 Ų98.633%0.3349%0.493SS..EExtended strand (participates in β ladder)trans-89.1118.5177.6-168.575.8000108.9I862 V926 W928I862-L938 HydrophobicContact CD1-CD1 4.35Å; I862-L938 HydrophobicContact CD1-CD2 3.76Å; I862-L938 HydrophobicContact CG1-CD1 4.12Å; I862-L938 HydrophobicContact CG1-CD2 4.21Å; V926-L938 HydrophobicContact CB-CD1 3.66Å; V926-L938 HydrophobicContact CB-CD2 4.18Å; V926-L938 HydrophobicContact CB-CG 3.83Å; V926-L938 HydrophobicContact CG1-CD1 4.4Å; V926-L938 HydrophobicContact CG1-CD2 4.01Å; V926-L938 HydrophobicContact CG1-CG 4.08Å; V926-L938 HydrophobicContact CG2-CD1 3.72Å; V926-L938 HydrophobicContact CG2-CD2 4.37Å; V926-L938 HydrophobicContact CG2-CG 4.29Å; W928-L938 HydrophobicContact CD2-CD1 3.78Å; W928-L938 VanDerWaalsContact CE2-CD1 3.44Å; W928-L938 HydrophobicContact CE3-CB 4.43Å; W928-L938 HydrophobicContact CE3-CD1 4.36Å; W928-L938 HydrophobicContact CG-CD1 4.11Å; W928-L938 HydrophobicContact CH2-CB 4.42Å; W928-L938 HydrophobicContact CH2-CD1 4.41Å; W928-L938 HydrophobicContact CZ2-CD1 3.81Å; W928-L938 HydrophobicContact CZ3-CB 4.32Å
939K88.9Confident87.3Confident127 Ų127100.4 Ų100.455%0.55251%0.506SS*.EExtended strand (participates in β ladder)trans-104.2129.2175-69.3-174.3177.1177.80109.9V926 Q927 S929V926-K939 CarbonylContact C-O 3.35Å; V926-K939 VanDerWaalsContact CA-O 3.27Å; V926-K939 WeakPolarHBondContact CA-O 3.44Å; Q927-K939 PolarHBondContact N-O 3.28Å; Q927-K939 PolarHBondContact O-N 2.89Å; S929-K939 WeakPolarHBondContact OG-CD 3.24Å; S929-K939 WeakPolarHBondContact OG-CE 3.25Å
940T91.1Very high87.9Confident87 Ų8799.1 Ų99.153%0.53450%0.497SS..EExtended strand (participates in β ladder)trans-74.8135.5170.5-58.70000110V924V924-T940 HydrophobicContact CB-CG2 3.69Å; V924-T940 HydrophobicContact CG1-CG2 4.13Å; V924-T940 HydrophobicContact CG2-CG2 3.45Å; V924-T940 VanDerWaalsContact CG2-CG2 3.45Å
941L90.1Very high88.6Confident56 Ų5692.6 Ų92.629%0.29348%0.476SS..PPolyproline II helixtrans-84.7120173.7-60.9-178.4000109.2Q925 Q927 T944Q925-L941 HydrophobicContact CB-CB 4.26Å; Q925-L941 HydrophobicContact CB-CD1 3.88Å; Q925-L941 HydrophobicContact CB-CG 4.36Å; Q925-L941 PolarHBondContact O-N 3.39Å; Q927-L941 HydrophobicContact CB-CD2 4.26Å; L941-T944 HydrophobicContact CB-CG2 3.69Å; L941-T944 PolarHBondContact O-OG1 3Å
942P88.1Confident89.3Confident109 Ų10990 Ų9071%0.70846%0.462SS*.THydrogen-bonded Turntrans-56.3153.1175.8-23.233.6000111.9T944P942-T944 WeakPolarHBondContact O-CG2 3.47Å; P942-T944 PolarHBondContact O-N 3.21Å; P942-T944 VanDerWaalsContact O-N 3.13Å
943E90.5Very high90.2Very high205 Ų20580 Ų8096%0.95842%0.415SS*.THydrogen-bonded Turntrans61.818.7175.1-54179.2176.200115.2
944T93.8Very high91Very high33 Ų3375.4 Ų75.420%0.20238%0.383CS..  trans-10910.3177.667.10000113.9Q925 L941 P942 K946Q925-T944 HydrophobicContact CB-CG2 3.97Å; Q925-T944 WeakPolarHBondContact CB-OG1 3.14Å; Q925-T944 HydrophobicContact CG-CG2 4.24Å; Q925-T944 PolarHBondContact N-OG1 2.98Å; L941-T944 HydrophobicContact CB-CG2 3.69Å; L941-T944 PolarHBondContact O-OG1 3Å; P942-T944 WeakPolarHBondContact O-CG2 3.47Å; P942-T944 PolarHBondContact O-N 3.21Å; P942-T944 VanDerWaalsContact O-N 3.13Å; T944-K946 PolarHBondContact O-N 3.47Å
945E95.2Very high92Very high125 Ų12573.6 Ų73.658%0.58436%0.364SS*.  trans-65.7124.8178.8-172.2169.8110.400110.6T922 A923 V924T922-E945 VanDerWaalsContact CG2-CD 3.41Å; T922-E945 HydrophobicContact CG2-CG 3.29Å; A923-E945 WeakPolarHBondContact O-CA 3.24Å; V924-E945 HydrophobicContact CG1-CB 4.04Å; V924-E945 HydrophobicContact CG1-CG 4.28Å
946K95.2Very high92.9Very high128 Ų12865.4 Ų65.456%0.55734%0.335SS*.EExtended strand (participates in β ladder)trans-139.2142177.6-173.9174.2179.1-177.10110.3T922 A923 T944 F948T922-K946 WeakPolarHBondContact CA-O 3.48Å; A923-K946 PolarHBondContact N-O 3.4Å; A923-K946 PolarHBondContact O-N 3.24Å; T944-K946 PolarHBondContact O-N 3.47Å; K946-F948 HydrophobicContact CB-CE2 3.9Å; K946-F948 HydrophobicContact CB-CZ 4.38Å; K946-F948 HydrophobicContact CD-CE1 4.27Å; K946-F948 HydrophobicContact CD-CE2 4.09Å; K946-F948 HydrophobicContact CD-CZ 3.76Å; K946-F948 HydrophobicContact CG-CD2 4.43Å; K946-F948 HydrophobicContact CG-CE2 3.93Å; K946-F948 HydrophobicContact CG-CZ 4.13Å
947T96Very high93.6Very high73 Ų7363.1 Ų63.145%0.44832%0.324SS..EExtended strand (participates in β ladder)trans-96132.9172.5-64.90000110.3L911 T922L911-T947 HydrophobicContact CD1-CG2 3.33Å; T922-T947 PolarHBondContact OG1-OG1 2.89Å
948F96.5Very high93.9Very high29 Ų2962 Ų6213%0.12732%0.322CS..EExtended strand (participates in β ladder)trans-115.3126.1175.5-64.5-97.8000108.5L834 F860 I902 I905 G920 V921 A923 K946L834-F948 HydrophobicContact CD1-CB 3.96Å; F860-F948 HydrophobicContact CE1-CD1 4.19Å; F860-F948 HydrophobicContact CE1-CD2 4.3Å; F860-F948 HydrophobicContact CE1-CE1 4.26Å; F860-F948 HydrophobicContact CE1-CE2 4.35Å; F860-F948 HydrophobicContact CE1-CG 4.2Å; F860-F948 HydrophobicContact CE1-CZ 4.32Å; F860-F948 HydrophobicContact CE2-CD2 4.4Å; F860-F948 HydrophobicContact CZ-CB 4.18Å; F860-F948 HydrophobicContact CZ-CD1 4.12Å; F860-F948 AromaticContact CZ-CD2 3.5Å; F860-F948 HydrophobicContact CZ-CD2 3.5Å; F860-F948 HydrophobicContact CZ-CE1 4.38Å; F860-F948 AromaticContact CZ-CE2 3.79Å; F860-F948 HydrophobicContact CZ-CE2 3.79Å; F860-F948 AromaticContact CZ-CG 3.66Å; F860-F948 HydrophobicContact CZ-CG 3.66Å; F860-F948 HydrophobicContact CZ-CZ 4.21Å; I902-F948 HydrophobicContact CD1-CD1 4.18Å; I902-F948 HydrophobicContact CD1-CE1 3.32Å; I902-F948 HydrophobicContact CD1-CZ 3.81Å; I905-F948 HydrophobicContact CD1-CE2 3.66Å; I905-F948 HydrophobicContact CD1-CZ 3.75Å; G920-F948 CarbonylContact C-O 3.51Å; G920-F948 WeakPolarHBondContact CA-O 3.38Å; V921-F948 PolarHBondContact N-O 2.7Å; V921-F948 PolarHBondContact O-N 2.69Å; A923-F948 HydrophobicContact CB-CD2 4.39Å; A923-F948 HydrophobicContact CB-CE2 4.25Å; K946-F948 HydrophobicContact CB-CE2 3.9Å; K946-F948 HydrophobicContact CB-CZ 4.38Å; K946-F948 HydrophobicContact CD-CE1 4.27Å; K946-F948 HydrophobicContact CD-CE2 4.09Å; K946-F948 HydrophobicContact CD-CZ 3.76Å; K946-F948 HydrophobicContact CG-CD2 4.43Å; K946-F948 HydrophobicContact CG-CE2 3.93Å; K946-F948 HydrophobicContact CG-CZ 4.13Å
949E96.8Very high94.1Very high130 Ų13060.6 Ų60.661%0.60731%0.313SS*.EExtended strand (participates in β ladder)trans-73136.5179.1-53.7-177.413300110.5R832 C919R832-E949 IonicContact CZ-OE2 3.5Å; R832-E949 VanDerWaalsContact NH1-CB 3.28Å; R832-E949 IonicContact NH1-OE1 3.62Å; R832-E949 PolarHBondContact NH1-OE1 3.17Å; R832-E949 IonicContact NH1-OE2 2.75Å; R832-E949 PolarHBondContact NH1-OE2 3.11Å; C919-E949 WeakPolarHBondContact O-CA 3.47Å
950A97.1Very high94.1Very high0 Ų056.9 Ų56.90%030%0.301CS..  trans-154.2125.8-177.900000109.9L834 V918 C919 G920 V921 V953L834-A950 HydrophobicContact CB-CB 3.79Å; L834-A950 HydrophobicContact CD1-CB 4.38Å; V918-A950 CarbonylContact C-O 3.32Å; V918-A950 VanDerWaalsContact O-O 3.06Å; C919-A950 CarbonylContact C-O 3.22Å; C919-A950 VanDerWaalsContact CA-O 3.27Å; C919-A950 WeakPolarHBondContact CA-O 3.41Å; C919-A950 PolarHBondContact O-N 3.29Å; G920-A950 PolarHBondContact N-O 3.03Å; V921-A950 HydrophobicContact CG2-CB 4.32Å; A950-V953 HydrophobicContact CB-CG2 4.16Å
951D95.9Very high94.2Very high55 Ų5552.8 Ų52.829%0.29428%0.276SS..SBendtrans-93-12.4173.7-45.6-56.2000111.2K831 R832K831-D951 HydrophobicContact CB-CB 4.08Å; K831-D951 HydrophobicContact CG-CB 4.27Å; R832-D951 WeakPolarHBondContact CB-OD2 3.47Å; R832-D951 IonicContact CZ-OD1 2.59Å; R832-D951 IonicContact CZ-OD2 3.98Å; R832-D951 PolarHBondContact N-OD2 3.13Å; R832-D951 IonicContact NE-OD1 2.7Å; R832-D951 PolarHBondContact NE-OD1 3.13Å; R832-D951 IonicContact NE-OD2 2.72Å; R832-D951 PolarHBondContact NE-OD2 3.19Å; R832-D951 IonicContact NH2-OD1 3.27Å; R832-D951 PolarHBondContact NH2-OD1 3.33Å; R832-D951 IonicContact NH2-OD2 2.99Å; R832-D951 PolarHBondContact O-N 3.33Å
952M96.9Very high94.3Very high0 Ų050.4 Ų50.40%026%0.263CS..EExtended strand (participates in β ladder)trans-149.3131.2177.6178.3179.6-77.100109.7G801 K831 R832 V833 L834 L954G801-M952 CarbonylContact O-C 3.59Å; G801-M952 WeakPolarHBondContact O-CA 3.38Å; K831-M952 HydrophobicContact CD-CB 4.24Å; K831-M952 HydrophobicContact CD-CE 3.83Å; R832-M952 PolarHBondContact O-N 2.99Å; V833-M952 CarbonylContact C-O 3.56Å; V833-M952 WeakPolarHBondContact CA-O 3.3Å; V833-M952 HydrophobicContact CG1-SD 4.47Å; V833-M952 HydrophobicContact CG2-CB 4.39Å; V833-M952 HydrophobicContact CG2-SD 4.33Å; L834-M952 PolarHBondContact N-O 2.89Å; M952-L954 HydrophobicContact CG-CD2 4.12Å; M952-L954 HydrophobicContact CG-CG 4.38Å; M952-L954 HydrophobicContact SD-CD2 4.09Å; M952-L954 HydrophobicContact SD-CG 4.47Å
953V97.8Very high94.5Very high0 Ų049.1 Ų49.10%025%0.248CC..EExtended strand (participates in β ladder)trans-115.5129.5173.7179.80000109.7G801 I802 H803 L834 I836 F910 V918 V921 A950 L955G801-V953 PolarHBondContact O-N 2.87Å; I802-V953 HydrophobicContact CB-CB 4.46Å; I802-V953 HydrophobicContact CG1-CB 4.19Å; I802-V953 HydrophobicContact CG1-CG2 4.45Å; I802-V953 HydrophobicContact CG2-CB 4.22Å; I802-V953 HydrophobicContact CG2-CG1 4.31Å; H803-V953 PolarHBondContact N-O 2.87Å; L834-V953 HydrophobicContact CB-CG2 4.48Å; L834-V953 HydrophobicContact CD2-CG1 4.31Å; L834-V953 CarbonylContact O-C 3.49Å; L834-V953 VanDerWaalsContact O-CA 3.25Å; L834-V953 WeakPolarHBondContact O-CA 3.43Å; I836-V953 HydrophobicContact CD1-CG1 3.92Å; I836-V953 HydrophobicContact CG1-CG1 4.23Å; F910-V953 HydrophobicContact CD1-CG2 4.29Å; F910-V953 HydrophobicContact CE1-CB 4.41Å; F910-V953 HydrophobicContact CE1-CG1 3.84Å; F910-V953 HydrophobicContact CE1-CG2 4.17Å; F910-V953 HydrophobicContact CZ-CG1 4.39Å; V918-V953 HydrophobicContact CG1-CG2 4.27Å; V918-V953 HydrophobicContact CG2-CG2 4.05Å; V921-V953 HydrophobicContact CG2-CG2 3.74Å; A950-V953 HydrophobicContact CB-CG2 4.16Å; V953-L955 HydrophobicContact CG1-CD2 4.08Å
954L97.8Very high94.4Very high0 Ų041.8 Ų41.80%022%0.218CC..EExtended strand (participates in β ladder)trans-112.6116.9177.1-59.7-179000110.6H803 F808 V833 L834 I835 I836 C845 M952 A956H803-L954 HydrophobicContact CB-CD2 4.09Å; H803-L954 CarbonylContact O-C 3.57Å; H803-L954 WeakPolarHBondContact O-CA 3.26Å; F808-L954 HydrophobicContact CB-CD1 4.43Å; F808-L954 HydrophobicContact CB-CD2 3.84Å; F808-L954 HydrophobicContact CD1-CD1 3.64Å; F808-L954 HydrophobicContact CD2-CD1 4.39Å; F808-L954 HydrophobicContact CD2-CD2 4.39Å; F808-L954 HydrophobicContact CE1-CD1 3.89Å; F808-L954 HydrophobicContact CG-CD1 3.91Å; F808-L954 HydrophobicContact CG-CD2 4.04Å; F808-L954 HydrophobicContact CZ-CD1 4.39Å; V833-L954 HydrophobicContact CG1-CD1 3.89Å; V833-L954 HydrophobicContact CG1-CG 4.12Å; L834-L954 PolarHBondContact O-N 3.26Å; I835-L954 CarbonylContact C-O 3.56Å; I835-L954 WeakPolarHBondContact CA-O 3.47Å; I835-L954 HydrophobicContact CG1-CB 4.15Å; I835-L954 HydrophobicContact CG1-CD1 4.14Å; I836-L954 PolarHBondContact N-O 2.91Å; C845-L954 HydrophobicContact CB-CD1 3.96Å; M952-L954 HydrophobicContact CG-CD2 4.12Å; M952-L954 HydrophobicContact CG-CG 4.38Å; M952-L954 HydrophobicContact SD-CD2 4.09Å; M952-L954 HydrophobicContact SD-CG 4.47Å; L954-A956 PolarHBondContact O-N 3.09Å
955L97.6Very high94.2Very high5 Ų544.3 Ų44.33%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-85.7102.3178.6-55.4-178000110.4L792 I802 H803 F804 A805 I836 F910 V953L792-L955 HydrophobicContact CB-CD1 4.34Å; L792-L955 HydrophobicContact CB-CD2 4.2Å; I802-L955 HydrophobicContact CG2-CD1 4.19Å; I802-L955 HydrophobicContact CG2-CD2 4.45Å; I802-L955 HydrophobicContact CG2-CG 4.25Å; H803-L955 PolarHBondContact O-N 2.71Å; F804-L955 HydrophobicContact CD1-CB 4.08Å; F804-L955 HydrophobicContact CD1-CD1 4.24Å; F804-L955 HydrophobicContact CE1-CD1 4.05Å; A805-L955 WeakPolarHBondContact CB-O 3.43Å; A805-L955 PolarHBondContact N-O 2.88Å; I836-L955 HydrophobicContact CB-CD2 4.32Å; I836-L955 HydrophobicContact CD1-CD2 3.88Å; I836-L955 HydrophobicContact CG1-CD2 4.42Å; F910-L955 HydrophobicContact CZ-CD2 4.41Å; V953-L955 HydrophobicContact CG1-CD2 4.08Å
956A96.1Very high93.9Very high11 Ų1138.9 Ų38.99%0.09120%0.203CC..  trans-111.541.5-178.900000112.2A805 I835 I836 T841 A842 L954 G958A805-A956 HydrophobicContact CB-CB 3.86Å; I835-A956 HydrophobicContact CG2-CB 3.99Å; I836-A956 CarbonylContact O-C 3.59Å; I836-A956 VanDerWaalsContact O-C 3.27Å; I836-A956 VanDerWaalsContact O-CA 3.31Å; I836-A956 WeakPolarHBondContact O-CA 3.33Å; I836-A956 PolarHBondContact O-N 3.14Å; T841-A956 HydrophobicContact CG2-CB 4.36Å; A842-A956 HydrophobicContact CB-CB 3.97Å; L954-A956 PolarHBondContact O-N 3.09Å; A956-G958 PolarHBondContact O-N 2.9Å
957M93.2Very high93.7Very high46 Ų4633 Ų3323%0.22718%0.177CC..  trans-91.512.7-169.6-54.4-174.1-59.400114.9R790 L792 I836R790-M957 HydrophobicContact CB-CB 4.31Å; R790-M957 HydrophobicContact CG-CB 4.47Å; R790-M957 HydrophobicContact CG-CE 4.19Å; R790-M957 VanDerWaalsContact O-CE 3.25Å; R790-M957 WeakPolarHBondContact O-CE 3.49Å; L792-M957 HydrophobicContact CB-CE 3.56Å; L792-M957 HydrophobicContact CB-SD 4.06Å; L792-M957 HydrophobicContact CD1-SD 4.29Å; L792-M957 HydrophobicContact CD2-SD 4.35Å; L792-M957 HydrophobicContact CG-SD 4.47Å; I836-M957 HydrophobicContact CG2-CG 4.01Å; I836-M957 HydrophobicContact CG2-SD 3.97Å
958G90.9Very high93.5Very high21 Ų2135.4 Ų35.422%0.21618%0.183CC..  trans85.6-169.1-177.400000114.3R790 A956R790-G958 WeakPolarHBondContact CB-O 3.42Å; R790-G958 PolarHBondContact N-O 3.43Å; A956-G958 PolarHBondContact O-N 2.9Å
959F90.9Very high93.2Very high33 Ų3337.2 Ų37.215%0.14519%0.192CC..EExtended strand (participates in β ladder)trans-124.9156.8-173.8-56.4-96.9000111.2T786 K788 P789 M806 Q1004T786-F959 HydrophobicContact CG2-CB 3.46Å; T786-F959 VanDerWaalsContact CG2-CB 3.46Å; T786-F959 WeakPolarHBondContact O-CB 3.49Å; T786-F959 WeakPolarHBondContact O-CD1 3.38Å; T786-F959 VanDerWaalsContact O-CG 3.31Å; T786-F959 WeakPolarHBondContact O-CG 3.36Å; K788-F959 CarbonylContact O-C 3.59Å; K788-F959 VanDerWaalsContact O-CA 3.29Å; K788-F959 WeakPolarHBondContact O-CA 3.42Å; K788-F959 WeakPolarHBondContact O-CB 3.45Å; P789-F959 HydrophobicContact CB-CD1 4.26Å; P789-F959 HydrophobicContact CB-CE1 4.35Å; M806-F959 HydrophobicContact CG-CE1 3.82Å; M806-F959 HydrophobicContact CG-CZ 3.42Å; M806-F959 VanDerWaalsContact CG-CZ 3.42Å; M806-F959 HydrophobicContact SD-CZ 4.17Å; F959-Q1004 VanDerWaalsContact CD2-CD 3.49Å; F959-Q1004 HydrophobicContact CD2-CG 4.3Å
960V89.4Confident92.9Very high49 Ų4931.7 Ų31.730%0.29717%0.167SC..EExtended strand (participates in β ladder)trans-100.8-36.5-177.9-64.90000113.4K788 R790K788-V960 HydrophobicContact CB-CG2 3.77Å; K788-V960 HydrophobicContact CD-CG2 3.54Å; K788-V960 HydrophobicContact CG-CG2 3.52Å; K788-V960 PolarHBondContact O-N 2.76Å; R790-V960 HydrophobicContact CB-CG1 4.32Å
961G92Very high92.6Very high1 Ų140.9 Ų40.91%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-177.3170.6-174.700000112.2T786 T787 K788T786-G961 CarbonylContact C-O 3.51Å; T786-G961 VanDerWaalsContact CG2-C 3.42Å; T786-G961 VanDerWaalsContact CG2-CA 3.4Å; T786-G961 WeakPolarHBondContact CG2-O 3.33Å; T787-G961 PolarHBondContact N-O 2.79Å; K788-G961 VanDerWaalsContact CB-O 3.29Å; K788-G961 WeakPolarHBondContact CB-O 3.45Å; K788-G961 PolarHBondContact N-O 2.88Å
962P93.4Very high92.4Very high5 Ų539 Ų393%0.03220%0.197CC..SBendtrans-59.2158.916125.9-35000112.2I784 G785 I967 D978 C1000I784-P962 HydrophobicContact CD1-CB 3.85Å; I784-P962 HydrophobicContact CG1-CB 4.16Å; G785-P962 WeakPolarHBondContact O-CB 3.4Å; P962-I967 HydrophobicContact CB-CD1 4.02Å; P962-I967 HydrophobicContact CG-CD1 3.43Å; P962-I967 VanDerWaalsContact CG-CD1 3.43Å; P962-D978 WeakPolarHBondContact CD-O 3.29Å; P962-C1000 HydrophobicContact CB-CB 4.23Å; P962-C1000 HydrophobicContact CG-CB 4.35Å
963E91.2Very high92.2Very high83 Ų8344.9 Ų44.939%0.38822%0.224SC..  trans-64.2138.3169.3-78.9154.5129.500111.3R722 T787 Q965R722-E963 IonicContact CZ-OE2 3.2Å; R722-E963 IonicContact NH1-OE1 2.7Å; R722-E963 IonicContact NH1-OE2 3.71Å; R722-E963 PolarHBondContact NH1-OE2 2.75Å; R722-E963 IonicContact NH2-OE2 2.92Å; T787-E963 WeakPolarHBondContact CB-OE2 3.19Å; T787-E963 VanDerWaalsContact OG1-CD 3.29Å; T787-E963 VanDerWaalsContact OG1-CG 3.31Å; T787-E963 WeakPolarHBondContact OG1-CG 3.29Å; T787-E963 PolarHBondContact OG1-N 3.1Å; T787-E963 PolarHBondContact OG1-OE2 3.35Å; E963-Q965 PolarHBondContact O-N 2.82Å
964P89.3Confident92Very high51 Ų5148.9 Ų48.933%0.33124%0.241SC..Hα-helixtrans-75.9-23-166.729.1-35.9000114.5L966 I967 E968P964-L966 PolarHBondContact O-N 2.93Å; P964-I967 WeakPolarHBondContact O-CB 3.45Å; P964-I967 PolarHBondContact O-N 2.85Å; P964-E968 HydrophobicContact CB-CG 4.4Å; P964-E968 WeakPolarHBondContact CB-OE1 3.22Å; P964-E968 WeakPolarHBondContact O-CG 3.39Å; P964-E968 PolarHBondContact O-N 3.4Å
965Q88.8Confident91.8Very high86 Ų8650.9 Ų50.940%0.40225%0.252SS..Hα-helixtrans-51.6-51.7-170.1-180177.3-6.900113.4G765 E963 I967 E968 Q969G765-Q965 PolarHBondContact O-NE2 2.81Å; E963-Q965 PolarHBondContact O-N 2.82Å; Q965-I967 VanDerWaalsContact C-N 3.35Å; Q965-I967 PolarHBondContact O-N 2.9Å; Q965-E968 PolarHBondContact O-N 3.49Å; Q965-Q969 VanDerWaalsContact O-CG 3.29Å; Q965-Q969 WeakPolarHBondContact O-CG 3.43Å; Q965-Q969 PolarHBondContact O-N 3.27Å
966L89.6Confident91.5Very high11 Ų1157.3 Ų57.36%0.05829%0.294CS..Hα-helixtrans-69-35.3-178.5-17458.9000112.2V697 V764 S770 L782 I784 P964 L970V697-L966 HydrophobicContact CG1-CD2 4.1Å; V764-L966 HydrophobicContact CG1-CD1 3.95Å; S770-L966 VanDerWaalsContact CB-CD1 3.41Å; L782-L966 HydrophobicContact CD2-CD2 3.76Å; L782-L966 HydrophobicContact CD2-CG 4.5Å; I784-L966 HydrophobicContact CD1-CD2 4.35Å; I784-L966 HydrophobicContact CG2-CD2 4.13Å; P964-L966 PolarHBondContact O-N 2.93Å; L966-L970 HydrophobicContact CD1-CD1 3.87Å; L966-L970 HydrophobicContact CD1-CG 4.24Å; L966-L970 HydrophobicContact CG-CD1 4.04Å; L966-L970 WeakPolarHBondContact O-CB 3.24Å; L966-L970 WeakPolarHBondContact O-CG 3.47Å; L966-L970 PolarHBondContact O-N 2.81Å; L966-L970 VanDerWaalsContact O-N 3.09Å
967I90.9Very high91.1Very high3 Ų366 Ų662%0.01533%0.325CS..Hα-helixtrans-66.6-43.9179.3-61.3177.9000110.1P962 P964 Q965 K971 L972 K974 I980P962-I967 HydrophobicContact CB-CD1 4.02Å; P962-I967 HydrophobicContact CG-CD1 3.43Å; P962-I967 VanDerWaalsContact CG-CD1 3.43Å; P964-I967 WeakPolarHBondContact O-CB 3.45Å; P964-I967 PolarHBondContact O-N 2.85Å; Q965-I967 VanDerWaalsContact C-N 3.35Å; Q965-I967 PolarHBondContact O-N 2.9Å; I967-K971 PolarHBondContact O-N 2.94Å; I967-L972 HydrophobicContact CG2-CB 3.95Å; I967-L972 PolarHBondContact O-N 2.88Å; I967-K974 HydrophobicContact CD1-CD 4.49Å; I967-K974 HydrophobicContact CG2-CD 4.02Å; I967-K974 HydrophobicContact CG2-CG 3.74Å; I967-I980 HydrophobicContact CD1-CD1 4.3Å; I967-I980 HydrophobicContact CD1-CG1 3.71Å; I967-I980 HydrophobicContact CG1-CD1 4.21Å; I967-I980 HydrophobicContact CG1-CG1 3.98Å
968E90.9Very high91.1Very high124 Ų12466.8 Ų66.858%0.57933%0.33SS*.Hα-helixtrans-67.8-45178.7-71.7172.7-17900111.6P964 Q965 L970 K971P964-E968 HydrophobicContact CB-CG 4.4Å; P964-E968 WeakPolarHBondContact CB-OE1 3.22Å; P964-E968 WeakPolarHBondContact O-CG 3.39Å; P964-E968 PolarHBondContact O-N 3.4Å; Q965-E968 PolarHBondContact O-N 3.49Å; E968-L970 VanDerWaalsContact C-N 3.31Å; E968-L970 PolarHBondContact O-N 3.36Å; E968-K971 PolarHBondContact O-N 2.77Å; E968-K971 VanDerWaalsContact O-N 3.08Å
969Q90.2Very high91.2Very high67 Ų6766 Ų6631%0.31332%0.321SS..Hα-helixtrans-61.7-38.7177.4-72.5-179.77.300112.8G765 S770 Q965 K971G765-Q969 PolarHBondContact O-NE2 3.13Å; S770-Q969 VanDerWaalsContact OG-CB 3.24Å; S770-Q969 WeakPolarHBondContact OG-CB 3.44Å; S770-Q969 PolarHBondContact OG-OE1 3.1Å; Q965-Q969 VanDerWaalsContact O-CG 3.29Å; Q965-Q969 WeakPolarHBondContact O-CG 3.43Å; Q965-Q969 PolarHBondContact O-N 3.27Å; Q969-K971 VanDerWaalsContact C-N 3.3Å
970L90.9Very high91.4Very high15 Ų1564.5 Ų64.58%0.07931%0.314CS..THydrogen-bonded Turntrans-85.90.3177.1-66.5176.5000113.5V774 L782 L966 E968 L972 L994V774-L970 HydrophobicContact CG2-CD2 3.7Å; L782-L970 HydrophobicContact CD1-CD1 3.86Å; L782-L970 HydrophobicContact CD2-CD1 4.28Å; L966-L970 HydrophobicContact CD1-CD1 3.87Å; L966-L970 HydrophobicContact CD1-CG 4.24Å; L966-L970 HydrophobicContact CG-CD1 4.04Å; L966-L970 WeakPolarHBondContact O-CB 3.24Å; L966-L970 WeakPolarHBondContact O-CG 3.47Å; L966-L970 PolarHBondContact O-N 2.81Å; L966-L970 VanDerWaalsContact O-N 3.09Å; E968-L970 VanDerWaalsContact C-N 3.31Å; E968-L970 PolarHBondContact O-N 3.36Å; L970-L972 VanDerWaalsContact C-N 3.28Å; L970-L972 HydrophobicContact CB-CD1 4.18Å; L970-L972 HydrophobicContact CB-CG 3.89Å; L970-L972 HydrophobicContact CD1-CD1 4.42Å; L970-L972 PolarHBondContact O-N 2.57Å; L970-L994 HydrophobicContact CD1-CD2 4.2Å; L970-L994 HydrophobicContact CD2-CD1 4.38Å
971K91.2Very high91.7Very high193 Ų19366.9 Ų66.984%0.83932%0.321SS*.THydrogen-bonded Turntrans52.143.6-179.9-56.3-179.9-179.1-179.90113I967 E968 Q969I967-K971 PolarHBondContact O-N 2.94Å; E968-K971 PolarHBondContact O-N 2.77Å; E968-K971 VanDerWaalsContact O-N 3.08Å; Q969-K971 VanDerWaalsContact C-N 3.3Å
972L92.1Very high91.7Very high15 Ų1567.9 Ų67.98%0.07933%0.326CS..  trans-85141180-62.3178.5000111.3L782 I967 L970 I980 A989 L994L782-L972 HydrophobicContact CD1-CD1 3.44Å; L782-L972 VanDerWaalsContact CD1-CD1 3.44Å; I967-L972 HydrophobicContact CG2-CB 3.95Å; I967-L972 PolarHBondContact O-N 2.88Å; L970-L972 VanDerWaalsContact C-N 3.28Å; L970-L972 HydrophobicContact CB-CD1 4.18Å; L970-L972 HydrophobicContact CB-CG 3.89Å; L970-L972 HydrophobicContact CD1-CD1 4.42Å; L970-L972 PolarHBondContact O-N 2.57Å; L972-I980 HydrophobicContact CB-CG2 4.5Å; L972-I980 HydrophobicContact CD1-CD1 4.39Å; L972-I980 HydrophobicContact CD1-CG2 4.18Å; L972-A989 HydrophobicContact CD2-CB 3.92Å; L972-L994 HydrophobicContact CD2-CD1 4.29Å
973E93.1Very high91.6Very high123 Ų12371.4 Ų71.458%0.57535%0.349SS*.  trans-69.9143173.6-70.7-172.9-164.600111.2K981E973-K981 HydrophobicContact CB-CB 4.16Å; E973-K981 HydrophobicContact CB-CD 4.21Å; E973-K981 WeakPolarHBondContact O-CB 3.44Å; E973-K981 PolarHBondContact O-N 3.45Å; E973-K981 IonicContact OE2-NZ 3.64Å; E973-K981 PolarHBondContact OE2-NZ 2.95Å
974K93.3Very high91.4Very high84 Ų8475.3 Ų75.337%0.36537%0.373SS..BIsolated β-bridgetrans-107.9150.6174-64.9-175.5-70.5165.20111.4I967 D978 N979I967-K974 HydrophobicContact CD1-CD 4.49Å; I967-K974 HydrophobicContact CG2-CD 4.02Å; I967-K974 HydrophobicContact CG2-CG 3.74Å; K974-D978 HydrophobicContact CD-CB 4.42Å; K974-D978 WeakPolarHBondContact CE-OD1 3.25Å; K974-D978 IonicContact NZ-OD1 3.88Å; K974-D978 PolarHBondContact NZ-OD1 3.42Å; K974-N979 CarbonylContact C-O 3.57Å; K974-N979 VanDerWaalsContact CA-O 3.22Å; K974-N979 WeakPolarHBondContact CA-O 3.35Å
975D92.4Very high91.2Very high43 Ų4376.1 Ų76.123%0.2339%0.39CS..  trans-79.7173.5167.781.5-1.2000111R977 D978 N979D975-R977 PolarHBondContact O-N 3.35Å; D975-R977 VanDerWaalsContact OD1-CA 3.23Å; D975-R977 WeakPolarHBondContact OD1-CA 3.49Å; D975-R977 WeakPolarHBondContact OD1-CB 3.35Å; D975-R977 PolarHBondContact OD1-N 2.9Å; D975-D978 PolarHBondContact O-N 3.24Å; D975-D978 PolarHBondContact OD1-N 2.92Å; D975-D978 VanDerWaalsContact OD1-N 3.09Å; D975-N979 PolarHBondContact N-O 3.26Å; D975-N979 PolarHBondContact OD1-N 3.29Å; D975-N979 PolarHBondContact OD1-ND2 3.33Å; D975-N979 PolarHBondContact OD2-ND2 3.04Å; D975-N979 VanDerWaalsContact OD2-ND2 3.09Å
976P91.5Very high91.4Very high140 Ų14079.2 Ų79.291%0.90940%0.398SS*.THydrogen-bonded Turntrans-62.7-7177.7-2535.7000115.4
977R88.2Confident91.6Very high193 Ų19379.5 Ų79.573%0.72840%0.398SS*.THydrogen-bonded Turntrans-109.420175.8-62.3-178.1179.2-172.8-0.2111.3D975 N979D975-R977 PolarHBondContact O-N 3.35Å; D975-R977 VanDerWaalsContact OD1-CA 3.23Å; D975-R977 WeakPolarHBondContact OD1-CA 3.49Å; D975-R977 WeakPolarHBondContact OD1-CB 3.35Å; D975-R977 PolarHBondContact OD1-N 2.9Å; R977-N979 WeakPolarHBondContact CB-ND2 3.5Å; R977-N979 PolarHBondContact O-N 3.25Å; R977-N979 VanDerWaalsContact O-N 3.11Å
978D92.6Very high91.8Very high63 Ų6380.6 Ų80.634%0.33741%0.406SS..SBendtrans61.311.6-179-77.4-46.6000115.7P962 K974 D975P962-D978 WeakPolarHBondContact CD-O 3.29Å; K974-D978 HydrophobicContact CD-CB 4.42Å; K974-D978 WeakPolarHBondContact CE-OD1 3.25Å; K974-D978 IonicContact NZ-OD1 3.88Å; K974-D978 PolarHBondContact NZ-OD1 3.42Å; D975-D978 PolarHBondContact O-N 3.24Å; D975-D978 PolarHBondContact OD1-N 2.92Å; D975-D978 VanDerWaalsContact OD1-N 3.09Å
979N94.3Very high91.6Very high4 Ų475.4 Ų75.42%0.02139%0.385CS..PPolyproline II helixtrans-78.3155.4172.7-50.8-64.1000110.6K974 D975 R977 K981 C1000 R1001 G1003K974-N979 CarbonylContact C-O 3.57Å; K974-N979 VanDerWaalsContact CA-O 3.22Å; K974-N979 WeakPolarHBondContact CA-O 3.35Å; D975-N979 PolarHBondContact N-O 3.26Å; D975-N979 PolarHBondContact OD1-N 3.29Å; D975-N979 PolarHBondContact OD1-ND2 3.33Å; D975-N979 PolarHBondContact OD2-ND2 3.04Å; D975-N979 VanDerWaalsContact OD2-ND2 3.09Å; R977-N979 WeakPolarHBondContact CB-ND2 3.5Å; R977-N979 PolarHBondContact O-N 3.25Å; R977-N979 VanDerWaalsContact O-N 3.11Å; N979-K981 PolarHBondContact O-N 3.45Å; N979-C1000 WeakPolarHBondContact CA-O 3.29Å; N979-C1000 WeakPolarHBondContact CB-O 3.44Å; N979-R1001 WeakPolarHBondContact CB-O 3.49Å; N979-G1003 WeakPolarHBondContact OD1-CA 3.16Å; N979-G1003 PolarHBondContact OD1-N 3.26Å
980I94.9Very high90.9Very high1 Ų175 Ų751%0.00539%0.385CS..BIsolated β-bridgetrans-65118.4174.6-59170.6000108.9L782 I967 L972 A989 A996 C1000L782-I980 HydrophobicContact CB-CD1 4.23Å; L782-I980 HydrophobicContact CD1-CD1 3.95Å; I967-I980 HydrophobicContact CD1-CD1 4.3Å; I967-I980 HydrophobicContact CD1-CG1 3.71Å; I967-I980 HydrophobicContact CG1-CD1 4.21Å; I967-I980 HydrophobicContact CG1-CG1 3.98Å; L972-I980 HydrophobicContact CB-CG2 4.5Å; L972-I980 HydrophobicContact CD1-CD1 4.39Å; L972-I980 HydrophobicContact CD1-CG2 4.18Å; I980-A989 HydrophobicContact CG2-CB 3.99Å; I980-A996 HydrophobicContact CB-CB 4.02Å; I980-A996 HydrophobicContact CD1-CB 4Å; I980-A996 HydrophobicContact CG2-CB 3.64Å; I980-C1000 HydrophobicContact CD1-CB 4.35Å; I980-C1000 PolarHBondContact N-O 3.45Å
981K94.4Very high89.4Confident100 Ų10080.8 Ų80.844%0.43543%0.426SS..PPolyproline II helixtrans-78.8131.4-176.5-174.4-179.3167.7-157.20110.3E973 N979E973-K981 HydrophobicContact CB-CB 4.16Å; E973-K981 HydrophobicContact CB-CD 4.21Å; E973-K981 WeakPolarHBondContact O-CB 3.44Å; E973-K981 PolarHBondContact O-N 3.45Å; E973-K981 IonicContact OE2-NZ 3.64Å; E973-K981 PolarHBondContact OE2-NZ 2.95Å; N979-K981 PolarHBondContact O-N 3.45Å
982T93.1Very high88.6Confident22 Ų2273.5 Ų73.514%0.13540%0.4CS..  trans-135.1159.6169.177.60000109.9R986 A989 A996 R1001T982-R986 WeakPolarHBondContact CB-O 3.27Å; T982-R986 PolarHBondContact OG1-O 2.93Å; T982-A989 HydrophobicContact CG2-CB 4.31Å; T982-A996 HydrophobicContact CG2-CB 4.44Å; T982-R1001 HydrophobicContact CG2-CG 4.11Å; T982-R1001 PolarHBondContact OG1-NE 3Å; T982-R1001 PolarHBondContact OG1-NH2 3.46Å
983P91.3Very high88.6Confident78 Ų7875.8 Ų75.851%0.50641%0.409SS..  trans-61151.3172.9-2031.6000112G985 R986 C988P983-G985 PolarHBondContact O-N 2.7Å; P983-R986 HydrophobicContact CB-CB 4.03Å; P983-R986 HydrophobicContact CB-CG 4.07Å; P983-R986 HydrophobicContact CG-CB 4.31Å; P983-R986 PolarHBondContact O-N 2.81Å; P983-R986 VanDerWaalsContact O-O 3.11Å; P983-C988 WeakPolarHBondContact CD-O 3.32Å
984N86.1Confident88.7Confident166 Ų16670.2 Ų70.289%0.88838%0.383SS*.THydrogen-bonded Turntrans-56.9127.6177.8-76.5-24.3000111.5R986N984-R986 PolarHBondContact O-N 2.92Å
985G85.8Confident88.9Confident67 Ų6766.3 Ų66.369%0.69137%0.366SS*.THydrogen-bonded Turntrans72.910.2-177.900000115.1P983P983-G985 PolarHBondContact O-N 2.7Å
986R92.2Very high89.1Confident151 Ų15164.2 Ų64.257%0.5736%0.355SS*.  trans-123.5154.7175.9-60.3-82.4-175.5152.21.3110T982 P983 N984 R1001 E1020T982-R986 WeakPolarHBondContact CB-O 3.27Å; T982-R986 PolarHBondContact OG1-O 2.93Å; P983-R986 HydrophobicContact CB-CB 4.03Å; P983-R986 HydrophobicContact CB-CG 4.07Å; P983-R986 HydrophobicContact CG-CB 4.31Å; P983-R986 PolarHBondContact O-N 2.81Å; P983-R986 VanDerWaalsContact O-O 3.11Å; N984-R986 PolarHBondContact O-N 2.92Å; R986-R1001 PolarHBondContact O-NE 3.37Å; R986-R1001 PolarHBondContact O-NH2 2.68Å; R986-E1020 WeakPolarHBondContact CA-OE2 3.3Å; R986-E1020 WeakPolarHBondContact CD-OE1 3.26Å
987Y95Very high89.3Confident17 Ų1757.6 Ų57.67%0.06731%0.312CS..  trans-116.9-11.3179.5-61.2-84.8000112.3A989 F995 A996 A997 E1013 Q1016 A1017 E1020Y987-A989 PolarHBondContact O-N 2.73Å; Y987-F995 CarbonylContact O-C 3.56Å; Y987-F995 VanDerWaalsContact O-CA 3.24Å; Y987-F995 WeakPolarHBondContact O-CA 3.44Å; Y987-A996 WeakPolarHBondContact CD1-O 3.29Å; Y987-A996 PolarHBondContact O-N 3.16Å; Y987-A997 HydrophobicContact CD1-CB 4.11Å; Y987-E1013 HydrophobicContact CE1-CB 3.69Å; Y987-E1013 HydrophobicContact CE1-CG 3.79Å; Y987-Q1016 HydrophobicContact CD2-CB 4.09Å; Y987-Q1016 HydrophobicContact CE2-CB 3.22Å; Y987-Q1016 HydrophobicContact CE2-CG 4.28Å; Y987-Q1016 VanDerWaalsContact CZ-CB 3.47Å; Y987-Q1016 WeakPolarHBondContact OH-CB 2.89Å; Y987-A1017 HydrophobicContact CD1-CB 4.04Å; Y987-A1017 HydrophobicContact CD2-CB 4.36Å; Y987-A1017 HydrophobicContact CG-CB 3.8Å; Y987-E1020 WeakPolarHBondContact CB-OE2 3.37Å; Y987-E1020 WeakPolarHBondContact CD2-OE2 3.49Å; Y987-E1020 PolarHBondContact N-OE2 2.92Å
988C93.8Very high89.7Confident26 Ų2648.4 Ų48.418%0.17628%0.278CS..BIsolated β-bridgetrans-65.1119.5171.8-158.60000109.8P983 N990 S992 F995 E1020P983-C988 WeakPolarHBondContact CD-O 3.32Å; C988-N990 PolarHBondContact SG-O 2.93Å; C988-S992 PolarHBondContact SG-O 3.22Å; C988-F995 HydrophobicContact CB-CD1 4Å; C988-F995 HydrophobicContact CB-CE1 3.8Å; C988-E1020 WeakPolarHBondContact CB-OE1 3.36Å
989A86.3Confident89.9Confident16 Ų1647 Ų4713%0.13227%0.27CS..SBendtrans-86.8-22.8-172.400000113.1L972 I980 T982 Y987 L994 A996L972-A989 HydrophobicContact CD2-CB 3.92Å; I980-A989 HydrophobicContact CG2-CB 3.99Å; T982-A989 HydrophobicContact CG2-CB 4.31Å; Y987-A989 PolarHBondContact O-N 2.73Å; A989-L994 PolarHBondContact N-O 3.14Å; A989-A996 HydrophobicContact CB-CB 4.48Å
990N76.5Confident90Very high58 Ų5846.8 Ų46.831%0.3127%0.269SS..SBendtrans-148.1174.2170.561.66.8000107.6C988 S992C988-N990 PolarHBondContact SG-O 2.93Å; N990-S992 PolarHBondContact ND2-OG 3Å; N990-S992 PolarHBondContact O-N 3.06Å; N990-S992 WeakPolarHBondContact OD1-CB 3.46Å; N990-S992 PolarHBondContact OD1-N 3.37Å; N990-S992 PolarHBondContact OD1-OG 3.09Å
991S60.1Low90Very high137 Ų13748.6 Ų48.696%0.95828%0.276SS*.SBendtrans-71.937.5177.747.60000113.9
992S73Confident89.9Confident40 Ų4048.6 Ų48.628%0.2827%0.273SS..SBendtrans-130.5-177.8-176.6910000111.3C988 N990 L994C988-S992 PolarHBondContact SG-O 3.22Å; N990-S992 PolarHBondContact ND2-OG 3Å; N990-S992 PolarHBondContact O-N 3.06Å; N990-S992 WeakPolarHBondContact OD1-CB 3.46Å; N990-S992 PolarHBondContact OD1-N 3.37Å; N990-S992 PolarHBondContact OD1-OG 3.09Å; S992-L994 PolarHBondContact O-N 3.28Å; S992-L994 PolarHBondContact OG-N 2.92Å
993K92.2Very high89.9Confident62 Ų6248.1 Ų48.127%0.2727%0.272SS..SBendtrans-69.325.3175.660.4180178.6169.30115V774 M775 N777 D778 A779 V780 F1024V774-K993 HydrophobicContact CG1-CG 4.26Å; V774-K993 WeakPolarHBondContact O-CE 3.44Å; V774-K993 PolarHBondContact O-NZ 2.75Å; M775-K993 PolarHBondContact O-NZ 3.46Å; N777-K993 WeakPolarHBondContact O-CD 3.36Å; N777-K993 PolarHBondContact O-NZ 2.89Å; D778-K993 WeakPolarHBondContact O-CB 3.42Å; D778-K993 WeakPolarHBondContact O-CD 3.27Å; A779-K993 WeakPolarHBondContact CA-O 3.38Å; V780-K993 PolarHBondContact N-O 3.49Å; K993-F1024 HydrophobicContact CB-CE1 3.88Å; K993-F1024 HydrophobicContact CB-CZ 4.07Å
994L95Very high89.8Confident7 Ų748.8 Ų48.84%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-112.7127.1-177.8-78.2170.9000111.5V774 V780 L970 L972 A989 S992V774-L994 HydrophobicContact CG2-CD1 4.4Å; V774-L994 HydrophobicContact CG2-CD2 3.62Å; V774-L994 HydrophobicContact CG2-CG 4.25Å; V780-L994 HydrophobicContact CB-CD2 4.01Å; V780-L994 HydrophobicContact CG1-CD2 4.46Å; L970-L994 HydrophobicContact CD1-CD2 4.2Å; L970-L994 HydrophobicContact CD2-CD1 4.38Å; L972-L994 HydrophobicContact CD2-CD1 4.29Å; A989-L994 PolarHBondContact N-O 3.14Å; S992-L994 PolarHBondContact O-N 3.28Å; S992-L994 PolarHBondContact OG-N 2.92Å
995F97.2Very high90.1Very high1 Ų143 Ų430%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-127.5155.1-178.3-60.3-97.1000110.5A779 V780 L781 L782 Y987 C988 E1020 I1021 F1024A779-F995 HydrophobicContact CB-CD2 4.48Å; A779-F995 HydrophobicContact CB-CE2 4.22Å; V780-F995 PolarHBondContact O-N 3.08Å; L781-F995 CarbonylContact C-O 3.41Å; L781-F995 WeakPolarHBondContact CA-O 3.41Å; L781-F995 HydrophobicContact CD1-CB 3.67Å; L782-F995 PolarHBondContact N-O 3.37Å; Y987-F995 CarbonylContact O-C 3.56Å; Y987-F995 VanDerWaalsContact O-CA 3.24Å; Y987-F995 WeakPolarHBondContact O-CA 3.44Å; C988-F995 HydrophobicContact CB-CD1 4Å; C988-F995 HydrophobicContact CB-CE1 3.8Å; F995-E1020 HydrophobicContact CE1-CB 4.43Å; F995-E1020 HydrophobicContact CE1-CG 3.96Å; F995-I1021 HydrophobicContact CB-CD1 4.17Å; F995-I1021 HydrophobicContact CB-CG1 4.29Å; F995-I1021 HydrophobicContact CD1-CG1 3.83Å; F995-I1021 HydrophobicContact CD2-CD1 4.05Å; F995-I1021 HydrophobicContact CD2-CG1 3.5Å; F995-I1021 HydrophobicContact CE1-CG1 4Å; F995-I1021 HydrophobicContact CE2-CG1 3.68Å; F995-I1021 HydrophobicContact CG-CD1 4.01Å; F995-I1021 HydrophobicContact CG-CG1 3.59Å; F995-I1021 HydrophobicContact CZ-CG1 3.93Å; F995-F1024 HydrophobicContact CE2-CD1 4.17Å; F995-F1024 HydrophobicContact CZ-CB 4.01Å; F995-F1024 HydrophobicContact CZ-CD1 4.03Å; F995-F1024 AromaticContact CZ-CG 3.93Å; F995-F1024 HydrophobicContact CZ-CG 3.93Å
996A96.9Very high90.4Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-135.8139.3173.500000110.7L782 I980 T982 Y987 A989 R1001L782-A996 HydrophobicContact CB-CB 4.4Å; L782-A996 WeakPolarHBondContact O-CA 3.14Å; I980-A996 HydrophobicContact CB-CB 4.02Å; I980-A996 HydrophobicContact CD1-CB 4Å; I980-A996 HydrophobicContact CG2-CB 3.64Å; T982-A996 HydrophobicContact CG2-CB 4.44Å; Y987-A996 WeakPolarHBondContact CD1-O 3.29Å; Y987-A996 PolarHBondContact O-N 3.16Å; A989-A996 HydrophobicContact CB-CB 4.48Å; A996-R1001 HydrophobicContact CB-CB 4.35Å; A996-R1001 VanDerWaalsContact O-CD 3.24Å; A996-R1001 WeakPolarHBondContact O-CD 3.37Å
997A97.1Very high90.6Very high0 Ų036.1 Ų36.10%020%0.201CC..  trans-149.8154.6-179.100000113.1L781 L782 Y987 C1000 E1013 A1017L781-A997 HydrophobicContact CD1-CB 3.87Å; L782-A997 PolarHBondContact O-N 3.09Å; Y987-A997 HydrophobicContact CD1-CB 4.11Å; A997-C1000 PolarHBondContact O-SG 3.14Å; A997-C1000 VanDerWaalsContact O-SG 3.38Å; A997-E1013 HydrophobicContact CB-CB 4.17Å; A997-A1017 HydrophobicContact CB-CB 3.72Å
998G96.5Very high90.6Very high1 Ų135.5 Ų35.51%0.0120%0.199CC..SBendtrans79.9-155.2179.400000111.7C1000 R1001 R1002 E1013G998-C1000 PolarHBondContact O-N 3.42Å; G998-C1000 VanDerWaalsContact O-N 3.14Å; G998-R1001 PolarHBondContact O-N 3.37Å; G998-R1002 PolarHBondContact O-N 2.8Å; G998-E1013 PolarHBondContact N-OE2 2.84Å
999D96.1Very high90.6Very high33 Ų3337 Ų3718%0.17620%0.201CC..Hα-helixtrans-61.5-29.8-167.1-70.625.3000113.5T786 R1001 G1003 Q1004 S1005T786-D999 VanDerWaalsContact OG1-C 3.3Å; T786-D999 PolarHBondContact OG1-O 2.75Å; D999-R1001 PolarHBondContact O-N 3.44Å; D999-G1003 WeakPolarHBondContact CA-O 2.93Å; D999-G1003 CarbonylContact O-C 3.26Å; D999-G1003 WeakPolarHBondContact O-CA 3.3Å; D999-G1003 PolarHBondContact O-N 2.83Å; D999-Q1004 WeakPolarHBondContact OD2-CA 3.31Å; D999-S1005 PolarHBondContact OD2-N 3.37Å; D999-S1005 VanDerWaalsContact OD2-N 3.1Å
1000C95.8Very high91.1Very high0 Ų036.6 Ų36.60%020%0.197CC..Hα-helixtrans-63.9-20.6175.468.60000114.4L782 I784 G785 P962 N979 I980 A997 G998L782-C1000 PolarHBondContact O-SG 3.41Å; L782-C1000 VanDerWaalsContact O-SG 3.39Å; I784-C1000 HydrophobicContact CG1-CB 3.69Å; G785-C1000 WeakPolarHBondContact O-CA 3.45Å; G785-C1000 VanDerWaalsContact O-CB 3.25Å; G785-C1000 WeakPolarHBondContact O-CB 3.46Å; P962-C1000 HydrophobicContact CB-CB 4.23Å; P962-C1000 HydrophobicContact CG-CB 4.35Å; N979-C1000 WeakPolarHBondContact CA-O 3.29Å; N979-C1000 WeakPolarHBondContact CB-O 3.44Å; I980-C1000 HydrophobicContact CD1-CB 4.35Å; I980-C1000 PolarHBondContact N-O 3.45Å; A997-C1000 PolarHBondContact O-SG 3.14Å; A997-C1000 VanDerWaalsContact O-SG 3.38Å; G998-C1000 PolarHBondContact O-N 3.42Å; G998-C1000 VanDerWaalsContact O-N 3.14Å
1001R95.8Very high92.1Very high39 Ų3933.8 Ų33.815%0.14718%0.182CC..Hα-helixtrans-103.1-44.2177.1172.1-170.8167-93.4-3.4111.5N979 T982 R986 A996 G998 D999 E1013N979-R1001 WeakPolarHBondContact CB-O 3.49Å; T982-R1001 HydrophobicContact CG2-CG 4.11Å; T982-R1001 PolarHBondContact OG1-NE 3Å; T982-R1001 PolarHBondContact OG1-NH2 3.46Å; R986-R1001 PolarHBondContact O-NE 3.37Å; R986-R1001 PolarHBondContact O-NH2 2.68Å; A996-R1001 HydrophobicContact CB-CB 4.35Å; A996-R1001 VanDerWaalsContact O-CD 3.24Å; A996-R1001 WeakPolarHBondContact O-CD 3.37Å; G998-R1001 PolarHBondContact O-N 3.37Å; D999-R1001 PolarHBondContact O-N 3.44Å; R1001-E1013 IonicContact NH1-OE1 3.55Å; R1001-E1013 PolarHBondContact NH1-OE1 2.91Å; R1001-E1013 IonicContact NH1-OE2 2.8Å; R1001-E1013 PolarHBondContact NH1-OE2 3.07Å
1002R92.6Very high93.7Very high99 Ų9928.5 Ų28.537%0.37414%0.142SC..Hα-helixtrans-83.8-25.5-173.5-174.4179.4-172.277.85.4113.5G998 S1005 E1013G998-R1002 PolarHBondContact O-N 2.8Å; R1002-S1005 PolarHBondContact NE-OG 2.78Å; R1002-E1013 WeakPolarHBondContact CD-OE1 3.23Å; R1002-E1013 IonicContact NH1-OE1 2.85Å; R1002-E1013 PolarHBondContact NH1-OE1 3.39Å
1003G92.9Very high94.8Very high12 Ų1226.7 Ų26.712%0.12413%0.129CC..  trans86167-155.600000111.7N979 D999 S1005N979-G1003 WeakPolarHBondContact OD1-CA 3.16Å; N979-G1003 PolarHBondContact OD1-N 3.26Å; D999-G1003 WeakPolarHBondContact CA-O 2.93Å; D999-G1003 CarbonylContact O-C 3.26Å; D999-G1003 WeakPolarHBondContact O-CA 3.3Å; D999-G1003 PolarHBondContact O-N 2.83Å; G1003-S1005 PolarHBondContact O-N 3.47Å
1004Q89.8Confident95Very high93 Ų9323.7 Ų23.744%0.43512%0.116SC..SBendtrans-51.4123.9-178.4-173.9-174.51400111.4F959 D999F959-Q1004 VanDerWaalsContact CD2-CD 3.49Å; F959-Q1004 HydrophobicContact CD2-CG 4.3Å; D999-Q1004 WeakPolarHBondContact OD2-CA 3.31Å
1005S91.6Very high95.1Very high43 Ų4323.9 Ų23.930%0.30112%0.116SC..  trans-145.3-165.4-177-151.70000112.4D999 R1002 G1003D999-S1005 PolarHBondContact OD2-N 3.37Å; D999-S1005 VanDerWaalsContact OD2-N 3.1Å; R1002-S1005 PolarHBondContact NE-OG 2.78Å; G1003-S1005 PolarHBondContact O-N 3.47Å
1006L92.6Very high94.9Very high48 Ų4825 Ų2525%0.25112%0.122SC..  trans-83.9150-179.8-54.8177.7000110.8P646 V1008 W1009 A1010P646-L1006 HydrophobicContact CG-CD1 3.64Å; P646-L1006 HydrophobicContact CG-CD2 3.68Å; P646-L1006 HydrophobicContact CG-CG 4.29Å; L1006-V1008 HydrophobicContact CB-CG1 3.85Å; L1006-V1008 HydrophobicContact CD1-CG1 4.33Å; L1006-V1008 PolarHBondContact O-N 3.37Å; L1006-W1009 WeakPolarHBondContact O-CA 3.46Å; L1006-W1009 WeakPolarHBondContact O-CB 3.36Å; L1006-W1009 PolarHBondContact O-N 3.24Å; L1006-A1010 PolarHBondContact O-N 3.3Å; L1006-A1010 VanDerWaalsContact O-N 3.16Å
1007V95.3Very high94.9Very high27 Ų2725 Ų2516%0.16412%0.122CC..Hα-helixtrans-49.3-39173.6170.80000112.4V644 P701 L730 W1009 A1010 I1011V644-V1007 HydrophobicContact CG2-CB 3.96Å; V644-V1007 HydrophobicContact CG2-CG1 4.21Å; V644-V1007 HydrophobicContact CG2-CG2 3.72Å; P701-V1007 HydrophobicContact CB-CG1 3.97Å; P701-V1007 HydrophobicContact CG-CB 4.44Å; P701-V1007 HydrophobicContact CG-CG1 3.86Å; P701-V1007 HydrophobicContact CG-CG2 4.27Å; L730-V1007 HydrophobicContact CD2-CG1 4.27Å; L730-V1007 HydrophobicContact CD2-CG2 3.89Å; V1007-W1009 VanDerWaalsContact C-N 3.34Å; V1007-W1009 PolarHBondContact O-N 3.22Å; V1007-A1010 WeakPolarHBondContact O-CB 3.46Å; V1007-A1010 PolarHBondContact O-N 3.22Å; V1007-I1011 HydrophobicContact CG1-CD1 3.99Å; V1007-I1011 HydrophobicContact CG1-CG1 4.47Å; V1007-I1011 WeakPolarHBondContact O-CG1 3.47Å; V1007-I1011 PolarHBondContact O-N 3.26Å
1008V94.9Very high94.9Very high4 Ų425 Ų252%0.02412%0.122CC..Hα-helixtrans-65.5-32.517864.20000113.3P607 L608 T641 L1006 H1012P607-V1008 HydrophobicContact CB-CG2 4.3Å; P607-V1008 HydrophobicContact CG-CG1 3.86Å; P607-V1008 HydrophobicContact CG-CG2 4.31Å; L608-V1008 HydrophobicContact CD1-CG2 3.76Å; L608-V1008 HydrophobicContact CG-CG2 3.76Å; T641-V1008 HydrophobicContact CG2-CB 4.11Å; T641-V1008 HydrophobicContact CG2-CG2 4.35Å; L1006-V1008 HydrophobicContact CB-CG1 3.85Å; L1006-V1008 HydrophobicContact CD1-CG1 4.33Å; L1006-V1008 PolarHBondContact O-N 3.37Å; V1008-H1012 WeakPolarHBondContact O-CB 3.41Å; V1008-H1012 PolarHBondContact O-N 2.85Å
1009W94.7Very high94.8Very high58 Ų5828.3 Ų28.322%0.2213%0.134CC..Hα-helixtrans-70.9-40.7173.1-83113.9000111.2P607 L1006 V1007 I1011 H1012 E1013P607-W1009 HydrophobicContact CB-CD2 3.65Å; P607-W1009 HydrophobicContact CB-CE3 3.8Å; P607-W1009 HydrophobicContact CB-CG 4.23Å; P607-W1009 HydrophobicContact CB-CH2 3.97Å; P607-W1009 HydrophobicContact CB-CZ2 3.84Å; P607-W1009 HydrophobicContact CB-CZ3 3.96Å; P607-W1009 HydrophobicContact CG-CD2 3.84Å; P607-W1009 VanDerWaalsContact CG-CE2 3.43Å; P607-W1009 HydrophobicContact CG-CE3 4.47Å; P607-W1009 HydrophobicContact CG-CG 4.17Å; P607-W1009 HydrophobicContact CG-CH2 4.38Å; P607-W1009 HydrophobicContact CG-CZ2 3.74Å; L1006-W1009 WeakPolarHBondContact O-CA 3.46Å; L1006-W1009 WeakPolarHBondContact O-CB 3.36Å; L1006-W1009 PolarHBondContact O-N 3.24Å; V1007-W1009 VanDerWaalsContact C-N 3.34Å; V1007-W1009 PolarHBondContact O-N 3.22Å; W1009-I1011 PolarHBondContact O-N 3.1Å; W1009-H1012 WeakPolarHBondContact O-CB 3.16Å; W1009-H1012 PolarHBondContact O-N 2.89Å; W1009-E1013 WeakPolarHBondContact O-CG 3.27Å; W1009-E1013 PolarHBondContact O-N 3.46Å
1010A96.6Very high94.8Very high6 Ų628.2 Ų28.25%0.0513%0.132CC..Hα-helixtrans-60.5-45.1174.400000111.5P701 A702 L1006 V1007 H1012 E1013 G1014P701-A1010 HydrophobicContact CB-CB 3.95Å; P701-A1010 HydrophobicContact CG-CB 4.42Å; A702-A1010 VanDerWaalsContact CA-O 3.25Å; A702-A1010 WeakPolarHBondContact CA-O 3.48Å; A702-A1010 HydrophobicContact CB-CB 4.09Å; A702-A1010 VanDerWaalsContact CB-O 3.31Å; A702-A1010 WeakPolarHBondContact CB-O 3.19Å; L1006-A1010 PolarHBondContact O-N 3.3Å; L1006-A1010 VanDerWaalsContact O-N 3.16Å; V1007-A1010 WeakPolarHBondContact O-CB 3.46Å; V1007-A1010 PolarHBondContact O-N 3.22Å; A1010-H1012 PolarHBondContact O-N 2.92Å; A1010-E1013 PolarHBondContact O-N 2.87Å; A1010-G1014 PolarHBondContact O-N 3Å
1011I96.6Very high94.8Very high0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-61-44.8174.4-62.8167.8000110.6L608 N636 F637 T641 P701 A705 V1007 W1009 G1014 R1015L608-I1011 HydrophobicContact CD1-CG2 4.28Å; L608-I1011 HydrophobicContact CD2-CB 4.33Å; L608-I1011 HydrophobicContact CD2-CG2 3.84Å; N636-I1011 HydrophobicContact CB-CG2 4.38Å; F637-I1011 HydrophobicContact CB-CD1 4.3Å; F637-I1011 HydrophobicContact CD2-CD1 3.93Å; F637-I1011 HydrophobicContact CD2-CG1 4.03Å; T641-I1011 HydrophobicContact CG2-CD1 3.79Å; P701-I1011 HydrophobicContact CB-CG1 3.93Å; A705-I1011 HydrophobicContact CB-CB 4.29Å; A705-I1011 HydrophobicContact CB-CG2 3.89Å; V1007-I1011 HydrophobicContact CG1-CD1 3.99Å; V1007-I1011 HydrophobicContact CG1-CG1 4.47Å; V1007-I1011 WeakPolarHBondContact O-CG1 3.47Å; V1007-I1011 PolarHBondContact O-N 3.26Å; W1009-I1011 PolarHBondContact O-N 3.1Å; I1011-G1014 PolarHBondContact O-N 2.8Å; I1011-R1015 WeakPolarHBondContact O-CG 3.39Å; I1011-R1015 PolarHBondContact O-N 2.99Å
1012H94.5Very high94.8Very high25 Ų2526.7 Ų26.712%0.11613%0.127CC..Hα-helixtrans-57.1-52.2177.1172.490.2000111.6P607 L608 V1008 W1009 A1010 G1014 R1015 Q1016P607-H1012 PolarHBondContact O-CE1 3.12Å; P607-H1012 PolarHBondContact O-ND1 2.75Å; L608-H1012 HydrophobicContact CD2-CB 3.86Å; V1008-H1012 WeakPolarHBondContact O-CB 3.41Å; V1008-H1012 PolarHBondContact O-N 2.85Å; W1009-H1012 WeakPolarHBondContact O-CB 3.16Å; W1009-H1012 PolarHBondContact O-N 2.89Å; A1010-H1012 PolarHBondContact O-N 2.92Å; H1012-G1014 PolarHBondContact O-N 3.36Å; H1012-R1015 PolarHBondContact O-N 3.13Å; H1012-Q1016 WeakPolarHBondContact O-CG 3.46Å; H1012-Q1016 PolarHBondContact O-N 3.48Å
1013E95.7Very high94.9Very high2 Ų224.6 Ų24.61%0.00913%0.125CC..Hα-helixtrans-64.3-39.2-179.8-69.1-158.5-179.500112.2Y987 A997 G998 R1001 R1002 W1009 A1010 R1015 Q1016 A1017Y987-E1013 HydrophobicContact CE1-CB 3.69Å; Y987-E1013 HydrophobicContact CE1-CG 3.79Å; A997-E1013 HydrophobicContact CB-CB 4.17Å; G998-E1013 PolarHBondContact N-OE2 2.84Å; R1001-E1013 IonicContact NH1-OE1 3.55Å; R1001-E1013 PolarHBondContact NH1-OE1 2.91Å; R1001-E1013 IonicContact NH1-OE2 2.8Å; R1001-E1013 PolarHBondContact NH1-OE2 3.07Å; R1002-E1013 WeakPolarHBondContact CD-OE1 3.23Å; R1002-E1013 IonicContact NH1-OE1 2.85Å; R1002-E1013 PolarHBondContact NH1-OE1 3.39Å; W1009-E1013 WeakPolarHBondContact O-CG 3.27Å; W1009-E1013 PolarHBondContact O-N 3.46Å; A1010-E1013 PolarHBondContact O-N 2.87Å; E1013-R1015 VanDerWaalsContact C-N 3.35Å; E1013-R1015 PolarHBondContact O-N 3.02Å; E1013-Q1016 PolarHBondContact O-N 2.82Å; E1013-A1017 VanDerWaalsContact O-CB 3.26Å; E1013-A1017 WeakPolarHBondContact O-CB 3.33Å; E1013-A1017 PolarHBondContact O-N 2.76Å
1014G97.1Very high94.9Very high0 Ų029.1 Ų29.10%014%0.141CC..Hα-helixtrans-58.4-44.2173.700000112.7A702 A706 A1010 I1011 H1012 A1018A702-G1014 WeakPolarHBondContact O-CA 3.44Å; A706-G1014 WeakPolarHBondContact CB-O 3.47Å; A1010-G1014 PolarHBondContact O-N 3Å; I1011-G1014 PolarHBondContact O-N 2.8Å; H1012-G1014 PolarHBondContact O-N 3.36Å; G1014-A1018 WeakPolarHBondContact O-CB 3.42Å; G1014-A1018 PolarHBondContact O-N 2.84Å
1015R96.2Very high95.2Very high10 Ų1026.1 Ų26.14%0.03813%0.128CC..Hα-helixtrans-64.5-44175.9-68174.369.5100-4.9112.6Q633 N636 A705 Q709 I1011 H1012 E1013 A1018 R1019Q633-R1015 PolarHBondContact O-NH2 2.74Å; N636-R1015 WeakPolarHBondContact OD1-CD 3.46Å; N636-R1015 WeakPolarHBondContact OD1-CG 3.36Å; N636-R1015 PolarHBondContact OD1-NH1 2.82Å; A705-R1015 HydrophobicContact CB-CG 4.44Å; Q709-R1015 HydrophobicContact CG-CB 4.43Å; Q709-R1015 HydrophobicContact CG-CG 4Å; I1011-R1015 WeakPolarHBondContact O-CG 3.39Å; I1011-R1015 PolarHBondContact O-N 2.99Å; H1012-R1015 PolarHBondContact O-N 3.13Å; E1013-R1015 VanDerWaalsContact C-N 3.35Å; E1013-R1015 PolarHBondContact O-N 3.02Å; R1015-A1018 PolarHBondContact O-N 2.85Å; R1015-R1019 PolarHBondContact O-N 2.83Å
1016Q94.6Very high95.3Very high25 Ų2528.2 Ų28.212%0.11713%0.134CC..Hα-helixtrans-70.4-36.6-179.2-63.8-46.5-62.600112Y987 H1012 E1013 R1019 E1020Y987-Q1016 HydrophobicContact CD2-CB 4.09Å; Y987-Q1016 HydrophobicContact CE2-CB 3.22Å; Y987-Q1016 HydrophobicContact CE2-CG 4.28Å; Y987-Q1016 VanDerWaalsContact CZ-CB 3.47Å; Y987-Q1016 WeakPolarHBondContact OH-CB 2.89Å; H1012-Q1016 WeakPolarHBondContact O-CG 3.46Å; H1012-Q1016 PolarHBondContact O-N 3.48Å; E1013-Q1016 PolarHBondContact O-N 2.82Å; Q1016-R1019 WeakPolarHBondContact O-CB 3.35Å; Q1016-R1019 PolarHBondContact O-N 3.3Å; Q1016-E1020 PolarHBondContact O-N 3.33Å
1017A96.5Very high95.2Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-64.2-44.1172.600000111.6L781 Y987 A997 E1013 R1019 E1020 I1021L781-A1017 HydrophobicContact CD1-CB 3.9Å; L781-A1017 HydrophobicContact CD2-CB 4.37Å; Y987-A1017 HydrophobicContact CD1-CB 4.04Å; Y987-A1017 HydrophobicContact CD2-CB 4.36Å; Y987-A1017 HydrophobicContact CG-CB 3.8Å; A997-A1017 HydrophobicContact CB-CB 3.72Å; E1013-A1017 VanDerWaalsContact O-CB 3.26Å; E1013-A1017 WeakPolarHBondContact O-CB 3.33Å; E1013-A1017 PolarHBondContact O-N 2.76Å; A1017-R1019 VanDerWaalsContact C-N 3.27Å; A1017-R1019 PolarHBondContact O-N 3.37Å; A1017-E1020 PolarHBondContact O-N 2.98Å; A1017-E1020 VanDerWaalsContact O-N 3.16Å; A1017-I1021 WeakPolarHBondContact O-CB 3.48Å; A1017-I1021 VanDerWaalsContact O-CG1 3.26Å; A1017-I1021 WeakPolarHBondContact O-CG1 3.29Å; A1017-I1021 PolarHBondContact O-N 3.15Å
1018A97Very high95Very high0 Ų034.7 Ų34.70%018%0.177CC..Hα-helixtrans-56.6-42173.300000112.3A706 Q709 L710 G1014 R1015 I1021 D1022 L1031A706-A1018 HydrophobicContact CB-CB 4.32Å; Q709-A1018 HydrophobicContact CB-CB 3.66Å; Q709-A1018 HydrophobicContact CG-CB 4.46Å; L710-A1018 HydrophobicContact CD1-CB 4.37Å; L710-A1018 HydrophobicContact CD2-CB 4.09Å; L710-A1018 WeakPolarHBondContact CD2-O 3.46Å; L710-A1018 HydrophobicContact CG-CB 3.75Å; G1014-A1018 WeakPolarHBondContact O-CB 3.42Å; G1014-A1018 PolarHBondContact O-N 2.84Å; R1015-A1018 PolarHBondContact O-N 2.85Å; A1018-I1021 PolarHBondContact O-N 3.1Å; A1018-D1022 WeakPolarHBondContact O-CB 3.31Å; A1018-D1022 PolarHBondContact O-N 3.31Å; A1018-L1031 HydrophobicContact CB-CD1 4.18Å
1019R95Very high94.8Very high71 Ų7135.4 Ų35.427%0.26818%0.182SC..Hα-helixtrans-63-44.5175.3-172.5178.8175-84.1-5.6112.2R1015 Q1016 A1017 D1022 V1023 T1029 L1031R1015-R1019 PolarHBondContact O-N 2.83Å; Q1016-R1019 WeakPolarHBondContact O-CB 3.35Å; Q1016-R1019 PolarHBondContact O-N 3.3Å; A1017-R1019 VanDerWaalsContact C-N 3.27Å; A1017-R1019 PolarHBondContact O-N 3.37Å; R1019-D1022 PolarHBondContact O-N 2.87Å; R1019-V1023 WeakPolarHBondContact O-CG2 3.39Å; R1019-V1023 PolarHBondContact O-N 3.31Å; R1019-T1029 HydrophobicContact CG-CG2 3.66Å; R1019-L1031 HydrophobicContact CB-CB 4.29Å; R1019-L1031 HydrophobicContact CG-CB 4.26Å
1020E95Very high94.6Very high31 Ų3136.5 Ų36.515%0.14520%0.198CC..Hα-helixtrans-66-41.1178.2-167.5174.5172.700111.9R986 Y987 C988 F995 Q1016 A1017 V1023 F1024R986-E1020 WeakPolarHBondContact CA-OE2 3.3Å; R986-E1020 WeakPolarHBondContact CD-OE1 3.26Å; Y987-E1020 WeakPolarHBondContact CB-OE2 3.37Å; Y987-E1020 WeakPolarHBondContact CD2-OE2 3.49Å; Y987-E1020 PolarHBondContact N-OE2 2.92Å; C988-E1020 WeakPolarHBondContact CB-OE1 3.36Å; F995-E1020 HydrophobicContact CE1-CB 4.43Å; F995-E1020 HydrophobicContact CE1-CG 3.96Å; Q1016-E1020 PolarHBondContact O-N 3.33Å; A1017-E1020 PolarHBondContact O-N 2.98Å; A1017-E1020 VanDerWaalsContact O-N 3.16Å; E1020-V1023 PolarHBondContact O-N 2.9Å; E1020-F1024 VanDerWaalsContact O-CB 3.31Å; E1020-F1024 WeakPolarHBondContact O-CB 3.32Å; E1020-F1024 PolarHBondContact O-N 3.25Å
1021I96.5Very high94.4Very high0 Ų036.5 Ų36.50%020%0.197CC..Hα-helixtrans-60.4-46.4174.2-70.3164.1000110.7I694 L710 A779 L781 F995 A1017 A1018 V1023 F1024 L1025I694-I1021 HydrophobicContact CG1-CG2 4.15Å; L710-I1021 HydrophobicContact CD1-CD1 4.27Å; L710-I1021 HydrophobicContact CD1-CG2 4.39Å; L710-I1021 HydrophobicContact CD2-CB 4.17Å; L710-I1021 HydrophobicContact CD2-CG2 3.85Å; A779-I1021 HydrophobicContact CB-CG2 3.83Å; L781-I1021 HydrophobicContact CB-CD1 4.07Å; L781-I1021 HydrophobicContact CD1-CD1 4.4Å; L781-I1021 HydrophobicContact CD2-CD1 4.45Å; F995-I1021 HydrophobicContact CB-CD1 4.17Å; F995-I1021 HydrophobicContact CB-CG1 4.29Å; F995-I1021 HydrophobicContact CD1-CG1 3.83Å; F995-I1021 HydrophobicContact CD2-CD1 4.05Å; F995-I1021 HydrophobicContact CD2-CG1 3.5Å; F995-I1021 HydrophobicContact CE1-CG1 4Å; F995-I1021 HydrophobicContact CE2-CG1 3.68Å; F995-I1021 HydrophobicContact CG-CD1 4.01Å; F995-I1021 HydrophobicContact CG-CG1 3.59Å; F995-I1021 HydrophobicContact CZ-CG1 3.93Å; A1017-I1021 WeakPolarHBondContact O-CB 3.48Å; A1017-I1021 VanDerWaalsContact O-CG1 3.26Å; A1017-I1021 WeakPolarHBondContact O-CG1 3.29Å; A1017-I1021 PolarHBondContact O-N 3.15Å; A1018-I1021 PolarHBondContact O-N 3.1Å; I1021-V1023 PolarHBondContact O-N 3.13Å; I1021-F1024 WeakPolarHBondContact O-CB 3.2Å; I1021-F1024 PolarHBondContact O-N 2.98Å; I1021-L1025 HydrophobicContact CG2-CD1 3.85Å; I1021-L1025 HydrophobicContact CG2-CG 4.38Å; I1021-L1025 WeakPolarHBondContact O-CG 3.47Å; I1021-L1025 PolarHBondContact O-N 3.22Å
1022D95.8Very high93.8Very high6 Ų637.2 Ų37.23%0.03220%0.203CC..Hα-helixtrans-62.9-43.5179.1-172.847.3000111.7H715 A1018 R1019 F1024 L1025 M1026 T1029 L1031H715-D1022 IonicContact CD2-OD1 2.93Å; H715-D1022 IonicContact CE1-OD1 2.81Å; H715-D1022 IonicContact NE2-OD1 3.43Å; H715-D1022 PolarHBondContact NE2-OD1 3Å; A1018-D1022 WeakPolarHBondContact O-CB 3.31Å; A1018-D1022 PolarHBondContact O-N 3.31Å; R1019-D1022 PolarHBondContact O-N 2.87Å; D1022-F1024 VanDerWaalsContact C-N 3.33Å; D1022-F1024 PolarHBondContact O-N 2.98Å; D1022-L1025 PolarHBondContact O-N 3.05Å; D1022-M1026 VanDerWaalsContact O-CB 3.27Å; D1022-M1026 WeakPolarHBondContact O-CB 3.45Å; D1022-M1026 PolarHBondContact O-N 3.25Å; D1022-M1026 WeakPolarHBondContact OD1-CG 3.27Å; D1022-T1029 WeakPolarHBondContact OD2-CA 3.46Å; D1022-T1029 WeakPolarHBondContact OD2-CB 3.41Å; D1022-T1029 PolarHBondContact OD2-OG1 2.81Å; D1022-L1031 HydrophobicContact CB-CD1 4.08Å
1023V93.9Very high93.1Very high55 Ų5536.4 Ų36.433%0.33320%0.202SC..Hα-helixtrans-61.7-41.5172.81730000111.5R1019 E1020 I1021 L1025 G1027 T1029R1019-V1023 WeakPolarHBondContact O-CG2 3.39Å; R1019-V1023 PolarHBondContact O-N 3.31Å; E1020-V1023 PolarHBondContact O-N 2.9Å; I1021-V1023 PolarHBondContact O-N 3.13Å; V1023-L1025 VanDerWaalsContact C-N 3.33Å; V1023-L1025 PolarHBondContact O-N 3.3Å; V1023-G1027 WeakPolarHBondContact O-CA 3.47Å; V1023-G1027 PolarHBondContact O-N 3.45Å; V1023-T1029 HydrophobicContact CG2-CG2 3.4Å; V1023-T1029 VanDerWaalsContact CG2-CG2 3.4Å
1024F94.2Very high92.1Very high107 Ų10739.6 Ų39.647%0.46922%0.222SC..Hα-helixtrans-61.5-41.2178.1170.2-102.1000112K993 F995 E1020 I1021 D1022K993-F1024 HydrophobicContact CB-CE1 3.88Å; K993-F1024 HydrophobicContact CB-CZ 4.07Å; F995-F1024 HydrophobicContact CE2-CD1 4.17Å; F995-F1024 HydrophobicContact CZ-CB 4.01Å; F995-F1024 HydrophobicContact CZ-CD1 4.03Å; F995-F1024 AromaticContact CZ-CG 3.93Å; F995-F1024 HydrophobicContact CZ-CG 3.93Å; E1020-F1024 VanDerWaalsContact O-CB 3.31Å; E1020-F1024 WeakPolarHBondContact O-CB 3.32Å; E1020-F1024 PolarHBondContact O-N 3.25Å; I1021-F1024 WeakPolarHBondContact O-CB 3.2Å; I1021-F1024 PolarHBondContact O-N 2.98Å; D1022-F1024 VanDerWaalsContact C-N 3.33Å; D1022-F1024 PolarHBondContact O-N 2.98Å
1025L94.8Very high91Very high30 Ų3040.8 Ų40.816%0.15724%0.235CC..Hα-helixtrans-83.4-34.6-177.3-65.3177.1000113.8K692 I694 D778 A779 I1021 D1022 V1023K692-L1025 HydrophobicContact CB-CD1 4.08Å; K692-L1025 HydrophobicContact CG-CB 4.44Å; K692-L1025 HydrophobicContact CG-CD1 4.38Å; I694-L1025 HydrophobicContact CD1-CD1 3.89Å; I694-L1025 HydrophobicContact CG1-CD1 4.02Å; D778-L1025 HydrophobicContact CB-CD1 4.49Å; D778-L1025 HydrophobicContact CB-CD2 3.78Å; A779-L1025 HydrophobicContact CB-CD1 4.3Å; I1021-L1025 HydrophobicContact CG2-CD1 3.85Å; I1021-L1025 HydrophobicContact CG2-CG 4.38Å; I1021-L1025 WeakPolarHBondContact O-CG 3.47Å; I1021-L1025 PolarHBondContact O-N 3.22Å; D1022-L1025 PolarHBondContact O-N 3.05Å; V1023-L1025 VanDerWaalsContact C-N 3.33Å; V1023-L1025 PolarHBondContact O-N 3.3Å
1026M94.3Very high90Very high87 Ų8741.1 Ų41.143%0.42924%0.241SC..Hα-helixtrans-113.4-9-169.6-54.9-55.9-64.600113.8T690 K692 D1022 K1028T690-M1026 HydrophobicContact CG2-CE 4.45Å; T690-M1026 HydrophobicContact CG2-SD 4.48Å; K692-M1026 HydrophobicContact CG-SD 4.34Å; D1022-M1026 VanDerWaalsContact O-CB 3.27Å; D1022-M1026 WeakPolarHBondContact O-CB 3.45Å; D1022-M1026 PolarHBondContact O-N 3.25Å; D1022-M1026 WeakPolarHBondContact OD1-CG 3.27Å; M1026-K1028 WeakPolarHBondContact CB-O 3.13Å; M1026-K1028 PolarHBondContact O-N 3.03Å; M1026-K1028 VanDerWaalsContact O-N 3.09Å
1027G91.2Very high89Confident66 Ų6646.7 Ų46.768%0.6827%0.269SS*.SBendtrans74.4-15.8-175.400000115V1023V1023-G1027 WeakPolarHBondContact O-CA 3.47Å; V1023-G1027 PolarHBondContact O-N 3.45Å
1028K90Very high87.9Confident145 Ų14550.8 Ų50.863%0.6329%0.294SS*.SBendtrans-146161.6176.563.2-179.5179.41800109.1M1026M1026-K1028 WeakPolarHBondContact CB-O 3.13Å; M1026-K1028 PolarHBondContact O-N 3.03Å; M1026-K1028 VanDerWaalsContact O-N 3.09Å
1029T90.7Very high86.2Confident20 Ų2053.6 Ų53.612%0.12332%0.317CS..  trans-138.4144.3178.7-174.50000111.5R1019 D1022 V1023 L1031R1019-T1029 HydrophobicContact CG-CG2 3.66Å; D1022-T1029 WeakPolarHBondContact OD2-CA 3.46Å; D1022-T1029 WeakPolarHBondContact OD2-CB 3.41Å; D1022-T1029 PolarHBondContact OD2-OG1 2.81Å; V1023-T1029 HydrophobicContact CG2-CG2 3.4Å; V1023-T1029 VanDerWaalsContact CG2-CG2 3.4Å; T1029-L1031 WeakPolarHBondContact OG1-CB 3.46Å; T1029-L1031 PolarHBondContact OG1-N 2.74Å; T1029-L1031 VanDerWaalsContact OG1-N 3.07Å
1030S90.5Very high84Confident81 Ų8154.1 Ų54.157%0.56634%0.336SS*.  trans-97.3-116856.70000112.6V713 V1038V713-S1030 WeakPolarHBondContact CG1-OG 3.15Å; S1030-V1038 WeakPolarHBondContact O-CG2 3.38Å
1031L91.5Very high81.6Confident6 Ų657.1 Ų57.13%0.03136%0.359CS..SBendtrans-70.7132.8178.3-63.9178.2000111Q709 V713 A1018 R1019 D1022 T1029Q709-L1031 HydrophobicContact CB-CD1 4.18Å; Q709-L1031 HydrophobicContact CB-CD2 4.16Å; V713-L1031 HydrophobicContact CG1-CD2 3.38Å; V713-L1031 HydrophobicContact CG1-CG 3.74Å; V713-L1031 HydrophobicContact CG2-CD1 4.33Å; V713-L1031 HydrophobicContact CG2-CD2 4.41Å; V713-L1031 HydrophobicContact CG2-CG 4.44Å; A1018-L1031 HydrophobicContact CB-CD1 4.18Å; R1019-L1031 HydrophobicContact CB-CB 4.29Å; R1019-L1031 HydrophobicContact CG-CB 4.26Å; D1022-L1031 HydrophobicContact CB-CD1 4.08Å; T1029-L1031 WeakPolarHBondContact OG1-CB 3.46Å; T1029-L1031 PolarHBondContact OG1-N 2.74Å; T1029-L1031 VanDerWaalsContact OG1-N 3.07Å
1032A84.7Confident78.8Confident15 Ų1565.7 Ų65.712%0.12440%0.403CS..  trans-68.1135.417900000111.8G1036 V1038A1032-G1036 WeakPolarHBondContact CB-O 3.4Å; A1032-V1038 HydrophobicContact CB-CG2 4.16Å
1033G79.9Confident75.7Confident8 Ų880.1 Ų80.18%0.08246%0.457CS..  trans-74.2-168.8167.700000112.6G1035 G1036 M1037G1033-G1035 PolarHBondContact O-N 3.11Å; G1033-G1036 PolarHBondContact O-N 3.18Å; G1033-G1036 VanDerWaalsContact O-N 3.17Å; G1033-M1037 PolarHBondContact N-O 2.66Å
1034P73.8Confident74.8Confident68 Ų6881.4 Ų81.444%0.44246%0.464SS..G310 helixtrans-54.7139.1172.7-23.135000111.1G1036P1034-G1036 VanDerWaalsContact C-N 3.29Å; P1034-G1036 PolarHBondContact O-N 2.97Å
1035G75.7Confident73.8Confident25 Ų2580 Ų8026%0.25846%0.463SS..G310 helixtrans76.38.3-177.100000115.7L608 G609 G1033 M1037L608-G1035 PolarHBondContact O-N 3.22Å; G609-G1035 WeakPolarHBondContact O-CA 3.49Å; G1033-G1035 PolarHBondContact O-N 3.11Å; G1035-M1037 VanDerWaalsContact C-N 3.28Å; G1035-M1037 PolarHBondContact O-N 3.32Å
1036G74.6Confident72.7Confident17 Ų1782.8 Ų82.818%0.17548%0.48CS..G310 helixtrans82.22.7175.500000114.1A1032 G1033 P1034 V1038A1032-G1036 WeakPolarHBondContact CB-O 3.4Å; G1033-G1036 PolarHBondContact O-N 3.18Å; G1033-G1036 VanDerWaalsContact O-N 3.17Å; P1034-G1036 VanDerWaalsContact C-N 3.29Å; P1034-G1036 PolarHBondContact O-N 2.97Å; G1036-V1038 PolarHBondContact O-N 3.42Å
1037M73.8Confident71.4Confident143 Ų14382.5 Ų82.570%0.70448%0.483SS*.  trans-77.9122-178.8-64.8-166.6-63.600111.6G1033 G1035 A1039G1033-M1037 PolarHBondContact N-O 2.66Å; G1035-M1037 VanDerWaalsContact C-N 3.28Å; G1035-M1037 PolarHBondContact O-N 3.32Å; M1037-A1039 PolarHBondContact O-N 3.34Å
1038V73.2Confident70.1Confident86 Ų8683.6 Ų83.652%0.52147%0.471SS..  trans-83.3102.7165.8-175.80000107.3S1030 A1032 G1036 A1040S1030-V1038 WeakPolarHBondContact O-CG2 3.38Å; A1032-V1038 HydrophobicContact CB-CG2 4.16Å; G1036-V1038 PolarHBondContact O-N 3.42Å; V1038-A1040 PolarHBondContact O-N 3.28Å
1039A61Low68.8Low58 Ų5879.5 Ų79.548%0.47946%0.46SS..PPolyproline II helixtrans-64.4125175.900000109.2M1037M1037-A1039 PolarHBondContact O-N 3.34Å
1040A48.2Very low67.3Low82 Ų8283.7 Ų83.768%0.67848%0.484SS*.PPolyproline II helixtrans-55.8136.6167.400000108.5V1038 L1042V1038-A1040 PolarHBondContact O-N 3.28Å; A1040-L1042 PolarHBondContact O-N 3.11Å
1041P45.9Very low65.5Low95 Ų9583.9 Ų83.962%0.61748%0.478SS*.PPolyproline II helixtrans-56.6116.1176.919.4-28.4000108.7R1043P1041-R1043 PolarHBondContact O-N 3.32Å
1042L38.2Very low63.3Low179 Ų17990.4 Ų90.494%0.93752%0.515SS*.  trans-64.3105.5168.8-70.7167.1000106A1040A1040-L1042 PolarHBondContact O-N 3.11Å
1043R30.8Very low61.3Low309 Ų30997.3 Ų97.3100%1.16655%0.551SS**  trans-730170.1-81.5-171.7178.7-178.2-0111.1P1041P1041-R1043 PolarHBondContact O-N 3.32Å

Retrieved 1,043 of 1,043 residues in 6300.2 ms (Link to these results)

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