G4VPB2_SCHMA Loading...

U6 snRNA-associated Sm-like protein LSm4

Binds specifically to the 3'-terminal U-tract of U6 snRNA.

AlphaFold DB , UniProt , Accession G4VPB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene LSM4, Length 142 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
1M67.8Low90.1Very high150 Ų15060.5 Ų60.574%0.73933%0.332SS*.  0140.80-78.1-52.5-141.400109V79 L83M1-V79 HydrophobicContact CE-CB 4.39Å; M1-V79 HydrophobicContact CE-CG1 3.09Å; M1-V79 HydrophobicContact CE-CG2 4.48Å; M1-L83 HydrophobicContact CE-CD1 3.94Å; M1-L83 HydrophobicContact CE-CD2 4.4Å; M1-L83 HydrophobicContact CE-CG 4.29Å
2L85.9Confident90.6Very high122 Ų12263.9 Ų63.964%0.63935%0.35SS*.  trans-90.6143.9172.9-59.9177.6000109V4 T5 L6L2-V4 VanDerWaalsContact C-N 3.25Å; L2-V4 PolarHBondContact O-N 3.38Å; L2-V4 VanDerWaalsContact O-N 3.16Å; L2-T5 HydrophobicContact CB-CG2 4.18Å; L2-T5 PolarHBondContact N-OG1 3.05Å; L2-T5 VanDerWaalsContact N-OG1 3.1Å; L2-T5 WeakPolarHBondContact O-CB 3.33Å; L2-T5 PolarHBondContact O-N 3.3Å; L2-T5 PolarHBondContact O-OG1 3.5Å; L2-L6 PolarHBondContact O-N 3.23Å
3P89.9Confident91Very high94 Ų9460.4 Ų60.461%0.6133%0.33SS*.Hα-helixtrans-51.5-40.5-179.6-30.636.4000114.3T5 L6 L7 M36P3-T5 VanDerWaalsContact C-N 3.32Å; P3-T5 PolarHBondContact O-N 3.12Å; P3-L6 WeakPolarHBondContact O-CB 3.45Å; P3-L6 PolarHBondContact O-N 3.41Å; P3-L7 PolarHBondContact O-N 3.29Å; P3-M36 HydrophobicContact CB-CE 4.14Å
4V92.7Very high91.5Very high25 Ų2560.4 Ų60.415%0.15233%0.334CS..Hα-helixtrans-62-37.9176.2177.90000112.1L2 L6 L7 K8 M36L2-V4 VanDerWaalsContact C-N 3.25Å; L2-V4 PolarHBondContact O-N 3.38Å; L2-V4 VanDerWaalsContact O-N 3.16Å; V4-L6 VanDerWaalsContact C-N 3.34Å; V4-L6 PolarHBondContact O-N 3.46Å; V4-L7 PolarHBondContact O-N 3.31Å; V4-K8 HydrophobicContact CG1-CD 4.23Å; V4-K8 HydrophobicContact CG1-CG 4.44Å; V4-K8 WeakPolarHBondContact O-CG 3.4Å; V4-K8 PolarHBondContact O-N 3.44Å; V4-M36 HydrophobicContact CG2-CE 3.53Å; V4-M36 HydrophobicContact CG2-CG 3.96Å
5T91Very high91.9Very high58 Ų5856.7 Ų56.736%0.35631%0.314SS..Hα-helixtrans-66.7-37.1178.958.50000112L2 P3 K8 A9L2-T5 HydrophobicContact CB-CG2 4.18Å; L2-T5 PolarHBondContact N-OG1 3.05Å; L2-T5 VanDerWaalsContact N-OG1 3.1Å; L2-T5 WeakPolarHBondContact O-CB 3.33Å; L2-T5 PolarHBondContact O-N 3.3Å; L2-T5 PolarHBondContact O-OG1 3.5Å; P3-T5 VanDerWaalsContact C-N 3.32Å; P3-T5 PolarHBondContact O-N 3.12Å; T5-K8 PolarHBondContact O-N 3.43Å; T5-A9 PolarHBondContact O-N 3.46Å; T5-A9 VanDerWaalsContact O-N 3.11Å
6L92.4Very high92.3Very high64 Ų6455.4 Ų55.434%0.33531%0.306SS..Hα-helixtrans-65-44.9174-176.867.8000110.9L2 P3 V4 K8 A9 A10 V75 V79L2-L6 PolarHBondContact O-N 3.23Å; P3-L6 WeakPolarHBondContact O-CB 3.45Å; P3-L6 PolarHBondContact O-N 3.41Å; V4-L6 VanDerWaalsContact C-N 3.34Å; V4-L6 PolarHBondContact O-N 3.46Å; L6-K8 PolarHBondContact O-N 3.25Å; L6-A9 PolarHBondContact O-N 3.46Å; L6-A10 PolarHBondContact O-N 3.44Å; L6-A10 VanDerWaalsContact O-N 3.09Å; L6-V75 HydrophobicContact CD1-CG1 3.82Å; L6-V75 HydrophobicContact CD1-CG2 3.98Å; L6-V79 HydrophobicContact CD1-CG2 4.29Å
7L95Very high92.6Very high3 Ų352.2 Ų52.22%0.01629%0.288CS..Hα-helixtrans-62.8-40.3177.9-17754.7000112.3P3 V4 A9 A10 M15 L29 C32 I38 L69 I71P3-L7 PolarHBondContact O-N 3.29Å; V4-L7 PolarHBondContact O-N 3.31Å; L7-A9 VanDerWaalsContact C-N 3.34Å; L7-A9 PolarHBondContact O-N 3.02Å; L7-A10 WeakPolarHBondContact O-CB 3.36Å; L7-A10 PolarHBondContact O-N 3.07Å; L7-A10 VanDerWaalsContact O-N 3.07Å; L7-M15 HydrophobicContact CD1-CE 3.89Å; L7-M15 HydrophobicContact CD1-SD 3.98Å; L7-L29 HydrophobicContact CD1-CD2 3.79Å; L7-L29 HydrophobicContact CG-CD2 4.27Å; L7-L29 WeakPolarHBondContact O-CD2 3.37Å; L7-C32 HydrophobicContact CD2-CB 4.29Å; L7-C32 WeakPolarHBondContact CD2-SG 3.48Å; L7-C32 HydrophobicContact CG-CB 4.1Å; L7-I38 HydrophobicContact CD2-CG2 4.07Å; L7-L69 HydrophobicContact CD1-CD1 3.82Å; L7-L69 HydrophobicContact CD2-CD1 3.59Å; L7-L69 HydrophobicContact CG-CD1 4.31Å; L7-I71 HydrophobicContact CD1-CD1 3.95Å
8K93.8Very high93Very high86 Ų8650.9 Ų50.937%0.37428%0.28SS..Hα-helixtrans-62.4-39.6174.2-73.7179.2-179.9179.70112.2V4 T5 L6 A10 T11 D34V4-K8 HydrophobicContact CG1-CD 4.23Å; V4-K8 HydrophobicContact CG1-CG 4.44Å; V4-K8 WeakPolarHBondContact O-CG 3.4Å; V4-K8 PolarHBondContact O-N 3.44Å; T5-K8 PolarHBondContact O-N 3.43Å; L6-K8 PolarHBondContact O-N 3.25Å; K8-A10 PolarHBondContact O-N 3.02Å; K8-T11 WeakPolarHBondContact O-CB 3.27Å; K8-T11 PolarHBondContact O-N 3.3Å; K8-T11 PolarHBondContact O-OG1 3.37Å; K8-D34 IonicContact NZ-OD1 2.64Å; K8-D34 PolarHBondContact NZ-OD1 3.25Å
9A93.1Very high93.3Very high21 Ų2148.6 Ų48.617%0.17427%0.267CS..Hα-helixtrans-67.3-21.8174.600000113T5 L6 L7 T11 V75 V79T5-A9 PolarHBondContact O-N 3.46Å; T5-A9 VanDerWaalsContact O-N 3.11Å; L6-A9 PolarHBondContact O-N 3.46Å; L7-A9 VanDerWaalsContact C-N 3.34Å; L7-A9 PolarHBondContact O-N 3.02Å; A9-T11 PolarHBondContact O-N 3.19Å; A9-V75 HydrophobicContact CB-CG2 4.03Å; A9-V79 HydrophobicContact CB-CG2 3.38Å
10A94.5Very high93.5Very high0 Ų053.5 Ų53.50%029%0.285CS..THydrogen-bonded Turntrans-79.18.3174.700000114.1L6 L7 K8 N12 L13 M15 L29 I71 V75L6-A10 PolarHBondContact O-N 3.44Å; L6-A10 VanDerWaalsContact O-N 3.09Å; L7-A10 WeakPolarHBondContact O-CB 3.36Å; L7-A10 PolarHBondContact O-N 3.07Å; L7-A10 VanDerWaalsContact O-N 3.07Å; K8-A10 PolarHBondContact O-N 3.02Å; A10-N12 PolarHBondContact O-N 3.44Å; A10-L13 HydrophobicContact CB-CD1 4.33Å; A10-L13 VanDerWaalsContact O-CB 3.27Å; A10-L13 WeakPolarHBondContact O-CB 3.34Å; A10-L13 PolarHBondContact O-N 2.95Å; A10-M15 HydrophobicContact CB-CE 3.71Å; A10-L29 HydrophobicContact CB-CD2 4.48Å; A10-I71 HydrophobicContact CB-CD1 4.35Å; A10-I71 HydrophobicContact CB-CG2 3.52Å; A10-V75 HydrophobicContact CB-CG2 3.87Å
11T95.5Very high93.7Very high42 Ų4253.7 Ų53.726%0.25829%0.291SS..THydrogen-bonded Turntrans-58.6139.4176.8-57.80000110.7K8 A9 L13 V30K8-T11 WeakPolarHBondContact O-CB 3.27Å; K8-T11 PolarHBondContact O-N 3.3Å; K8-T11 PolarHBondContact O-OG1 3.37Å; A9-T11 PolarHBondContact O-N 3.19Å; T11-L13 PolarHBondContact O-N 3.43Å; T11-V30 WeakPolarHBondContact CG2-O 3.29Å
12N95.9Very high95.2Very high102 Ų10247.5 Ų47.555%0.54527%0.266SS..THydrogen-bonded Turntrans62.814.9-172.5-57.9-57.6000115.2A10 L29A10-N12 PolarHBondContact O-N 3.44Å; N12-L29 VanDerWaalsContact CA-O 3.3Å; N12-L29 WeakPolarHBondContact CA-O 3.45Å; N12-L29 PolarHBondContact N-O 3.19Å
13L96Very high95.7Very high18 Ų1845 Ų459%0.09425%0.25CS..SBendtrans-97.8148.6170.7-63.1-177.8000111.3A10 T11 H28 L29 P72 V75 K78A10-L13 HydrophobicContact CB-CD1 4.33Å; A10-L13 VanDerWaalsContact O-CB 3.27Å; A10-L13 WeakPolarHBondContact O-CB 3.34Å; A10-L13 PolarHBondContact O-N 2.95Å; T11-L13 PolarHBondContact O-N 3.43Å; L13-H28 WeakPolarHBondContact O-CA 3.41Å; L13-L29 PolarHBondContact O-N 3.07Å; L13-P72 HydrophobicContact CB-CG 4.32Å; L13-V75 HydrophobicContact CD1-CB 4Å; L13-V75 HydrophobicContact CD1-CG2 4.42Å; L13-K78 HydrophobicContact CD1-CD 4.38Å
14P97.4Very high96.1Very high60 Ų6041.9 Ų41.939%0.3923%0.23SC..EExtended strand (participates in β ladder)trans-67.5137.617029.5-34.3000109.8G27 P72P14-G27 CarbonylContact C-O 3.59Å; P14-G27 WeakPolarHBondContact CA-O 3.22Å; P14-P72 HydrophobicContact CG-CG 4.14Å; P14-P72 WeakPolarHBondContact O-CD 3.44Å; P14-P72 WeakPolarHBondContact O-CG 3.17Å
15M97.7Very high96.4Very high5 Ų542.4 Ų42.43%0.02523%0.23CC..EExtended strand (participates in β ladder)trans-147.3157.2175.861-179.560.500112.1L7 A10 V17 N26 G27 L29 L40 R70 I71L7-M15 HydrophobicContact CD1-CE 3.89Å; L7-M15 HydrophobicContact CD1-SD 3.98Å; A10-M15 HydrophobicContact CB-CE 3.71Å; M15-V17 HydrophobicContact CG-CG2 4.5Å; M15-N26 WeakPolarHBondContact O-CA 3.46Å; M15-G27 PolarHBondContact N-O 3Å; M15-G27 PolarHBondContact O-N 2.91Å; M15-G27 VanDerWaalsContact O-N 3.08Å; M15-L29 HydrophobicContact CE-CB 3.44Å; M15-L29 VanDerWaalsContact CE-CB 3.44Å; M15-L29 HydrophobicContact CE-CD2 3.64Å; M15-L29 HydrophobicContact CE-CG 4.07Å; M15-L29 HydrophobicContact SD-CB 3.85Å; M15-L29 HydrophobicContact SD-CD1 4.33Å; M15-L29 HydrophobicContact SD-CD2 4.31Å; M15-L29 HydrophobicContact SD-CG 4.39Å; M15-L40 HydrophobicContact CG-CD2 4.27Å; M15-L40 HydrophobicContact SD-CD2 4.41Å; M15-R70 WeakPolarHBondContact CA-O 3.34Å; M15-R70 VanDerWaalsContact CB-O 3.24Å; M15-R70 WeakPolarHBondContact CB-O 3.48Å; M15-I71 HydrophobicContact CE-CG1 4.32Å
16L98.2Very high96.7Very high37 Ų3743.4 Ų43.419%0.19423%0.233CC..EExtended strand (participates in β ladder)trans-104.7135.6169.8179.6154.7000109.7E18 T24 Y25 Y68 L69 R70L16-E18 HydrophobicContact CD2-CB 4.5Å; L16-T24 HydrophobicContact CD2-CG2 4.48Å; L16-Y25 CarbonylContact C-O 3.53Å; L16-Y25 WeakPolarHBondContact CA-O 3.26Å; L16-Y68 HydrophobicContact CD2-CE2 4.28Å; L16-L69 CarbonylContact O-C 3.52Å; L16-L69 WeakPolarHBondContact O-CA 3.24Å; L16-R70 HydrophobicContact CB-CB 4.22Å; L16-R70 HydrophobicContact CD2-CG 4.38Å; L16-R70 PolarHBondContact N-O 3.08Å; L16-R70 VanDerWaalsContact N-O 3.08Å; L16-R70 PolarHBondContact O-N 3.18Å
17V98.4Very high97Very high0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-119.6121.7177.5-173.40000108M15 L19 T24 Y25 I38 L40 I61 I66 L69M15-V17 HydrophobicContact CG-CG2 4.5Å; V17-L19 HydrophobicContact CG1-CD2 4.1Å; V17-T24 CarbonylContact O-C 3.53Å; V17-T24 WeakPolarHBondContact O-CA 3.46Å; V17-Y25 PolarHBondContact N-O 3.31Å; V17-Y25 PolarHBondContact O-N 3.04Å; V17-I38 HydrophobicContact CB-CD1 4.4Å; V17-I38 HydrophobicContact CG1-CD1 4.01Å; V17-I38 HydrophobicContact CG2-CD1 3.6Å; V17-L40 HydrophobicContact CG2-CD1 3.89Å; V17-I61 HydrophobicContact CG1-CD1 4.3Å; V17-I66 HydrophobicContact CG1-CD1 4.22Å; V17-I66 HydrophobicContact CG1-CG1 4.08Å; V17-I66 HydrophobicContact CG1-CG2 4.04Å; V17-L69 HydrophobicContact CB-CD2 3.91Å; V17-L69 HydrophobicContact CG1-CD2 3.68Å; V17-L69 HydrophobicContact CG2-CD2 3.5Å; V17-L69 VanDerWaalsContact CG2-CD2 3.5Å
18E98.5Very high97.2Very high30 Ų3043 Ų4314%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-101.4126.7169.7-173.5174.8125.400109.3L16 T24 K67 Y68L16-E18 HydrophobicContact CD2-CB 4.5Å; E18-T24 HydrophobicContact CB-CG2 4.12Å; E18-T24 HydrophobicContact CG-CG2 4Å; E18-K67 HydrophobicContact CG-CD 4.4Å; E18-K67 WeakPolarHBondContact O-CB 3.42Å; E18-K67 PolarHBondContact O-N 3.06Å; E18-K67 WeakPolarHBondContact OE1-CD 3.44Å; E18-K67 IonicContact OE1-NZ 2.74Å; E18-K67 PolarHBondContact OE1-NZ 3.47Å; E18-Y68 HydrophobicContact CB-CD1 4.07Å; E18-Y68 HydrophobicContact CB-CD2 4.49Å; E18-Y68 HydrophobicContact CB-CE1 3.65Å; E18-Y68 HydrophobicContact CB-CE2 4.1Å; E18-Y68 HydrophobicContact CB-CG 4.47Å; E18-Y68 HydrophobicContact CG-CE1 3.98Å; E18-Y68 PolarHBondContact N-O 3.33Å; E18-Y68 PolarHBondContact O-N 2.74Å; E18-Y68 WeakPolarHBondContact OE1-CE1 3.5Å; E18-Y68 WeakPolarHBondContact OE2-CE1 3.07Å; E18-Y68 PolarHBondContact OE2-OH 2.8Å
19L98.5Very high97.4Very high7 Ų739 Ų394%0.03721%0.211CC..EExtended strand (participates in β ladder)trans-84.2161176-57.4-166.6000111.3V17 S21 G22 E23 Y25 I61 I65 I66V17-L19 HydrophobicContact CG1-CD2 4.1Å; L19-S21 WeakPolarHBondContact CB-OG 3.32Å; L19-S21 PolarHBondContact O-N 3.42Å; L19-G22 PolarHBondContact O-N 3.48Å; L19-E23 PolarHBondContact N-O 2.82Å; L19-Y25 HydrophobicContact CD1-CD2 4.05Å; L19-Y25 HydrophobicContact CD1-CE2 3.36Å; L19-Y25 HydrophobicContact CD2-CD2 4.43Å; L19-Y25 HydrophobicContact CG-CD2 3.97Å; L19-Y25 HydrophobicContact CG-CE2 3.77Å; L19-I61 HydrophobicContact CD2-CD1 4.48Å; L19-I61 HydrophobicContact CD2-CG2 3.58Å; L19-I65 WeakPolarHBondContact CA-O 3.38Å; L19-I65 HydrophobicContact CD1-CD1 4.05Å; L19-I65 HydrophobicContact CD2-CD1 4.41Å; L19-I65 HydrophobicContact CD2-CG1 4.4Å; L19-I66 HydrophobicContact CD2-CG1 4.39Å
20K98.7Very high97.6Very high145 Ų14540.9 Ų40.963%0.6322%0.221SC*.THydrogen-bonded Turntrans-61.5-23.8172.3-70.1175.9-177.8174.10113.2G22 S64 I65 K67K20-G22 PolarHBondContact O-N 2.94Å; K20-S64 WeakPolarHBondContact CE-O 3.45Å; K20-S64 PolarHBondContact NZ-O 3.05Å; K20-I65 WeakPolarHBondContact CG-O 3.43Å; K20-I65 PolarHBondContact N-O 3.22Å; K20-K67 HydrophobicContact CG-CB 4.3Å
21S97.4Very high97.7Very high59 Ų5942.9 Ų42.941%0.41324%0.237SC..THydrogen-bonded Turntrans-69.1-18.2171.956.30000112.9L19 E23 R48L19-S21 WeakPolarHBondContact CB-OG 3.32Å; L19-S21 PolarHBondContact O-N 3.42Å; S21-E23 PolarHBondContact OG-N 3.45Å; S21-E23 PolarHBondContact OG-OE2 3.01Å; S21-R48 WeakPolarHBondContact O-CD 3.47Å
22G97.9Very high97.8Very high19 Ų1941.8 Ų41.820%0.19623%0.231CC..SBendtrans93.1-4.3-173.300000114.1L19 K20L19-G22 PolarHBondContact O-N 3.48Å; K20-G22 PolarHBondContact O-N 2.94Å
23E97.8Very high97.8Very high69 Ų6939.3 Ų39.332%0.32222%0.218SC..  trans-71.5145.6172.1-65.8164.1140.700110.6L19 S21 Y25 T46L19-E23 PolarHBondContact N-O 2.82Å; S21-E23 PolarHBondContact OG-N 3.45Å; S21-E23 PolarHBondContact OG-OE2 3.01Å; E23-Y25 HydrophobicContact CB-CE2 4.1Å; E23-T46 WeakPolarHBondContact CA-O 3.16Å
24T98.5Very high97.8Very high29 Ų2943.9 Ų43.918%0.17824%0.243CC..EExtended strand (participates in β ladder)trans-118.6140.2177.864.40000111.8L16 V17 E18 C45 T46L16-T24 HydrophobicContact CD2-CG2 4.48Å; V17-T24 CarbonylContact O-C 3.53Å; V17-T24 WeakPolarHBondContact O-CA 3.46Å; E18-T24 HydrophobicContact CB-CG2 4.12Å; E18-T24 HydrophobicContact CG-CG2 4Å; T24-C45 CarbonylContact O-C 3.58Å; T24-C45 WeakPolarHBondContact O-CA 3.48Å; T24-T46 PolarHBondContact N-O 3.07Å; T24-T46 VanDerWaalsContact N-O 3.09Å; T24-T46 PolarHBondContact O-N 3.2Å; T24-T46 WeakPolarHBondContact OG1-CB 3.39Å
25Y98.6Very high97.7Very high37 Ų3750.6 Ų50.615%0.14526%0.26CS..EExtended strand (participates in β ladder)trans-119.7119177.1-66.3-104.4000108.7L16 V17 L19 E23 V43 C45 I61L16-Y25 CarbonylContact C-O 3.53Å; L16-Y25 WeakPolarHBondContact CA-O 3.26Å; V17-Y25 PolarHBondContact N-O 3.31Å; V17-Y25 PolarHBondContact O-N 3.04Å; L19-Y25 HydrophobicContact CD1-CD2 4.05Å; L19-Y25 HydrophobicContact CD1-CE2 3.36Å; L19-Y25 HydrophobicContact CD2-CD2 4.43Å; L19-Y25 HydrophobicContact CG-CD2 3.97Å; L19-Y25 HydrophobicContact CG-CE2 3.77Å; E23-Y25 HydrophobicContact CB-CE2 4.1Å; Y25-V43 HydrophobicContact CD1-CG1 3.81Å; Y25-V43 HydrophobicContact CG-CG1 4.44Å; Y25-C45 HydrophobicContact CD1-CB 3.91Å; Y25-C45 HydrophobicContact CE1-CB 3.74Å; Y25-C45 VanDerWaalsContact CZ-SG 3.55Å; Y25-I61 HydrophobicContact CD1-CD1 4.05Å; Y25-I61 HydrophobicContact CD2-CD1 3.94Å; Y25-I61 HydrophobicContact CG-CD1 3.68Å
26N97.9Very high97.7Very high79 Ų7953.6 Ų53.642%0.42228%0.275SS..EExtended strand (participates in β ladder)trans-104.6125.1171.9-171.9-64.8000108.8M15 V43 I44M15-N26 WeakPolarHBondContact O-CA 3.46Å; N26-V43 CarbonylContact O-C 3.58Å; N26-V43 VanDerWaalsContact O-CA 3.26Å; N26-V43 WeakPolarHBondContact O-CA 3.33Å; N26-I44 PolarHBondContact N-O 3.45Å; N26-I44 PolarHBondContact O-N 3.15Å
27G98.2Very high97.7Very high1 Ų152.6 Ų52.61%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-174.4-175.8178.900000112.3P14 M15P14-G27 CarbonylContact C-O 3.59Å; P14-G27 WeakPolarHBondContact CA-O 3.22Å; M15-G27 PolarHBondContact N-O 3Å; M15-G27 PolarHBondContact O-N 2.91Å; M15-G27 VanDerWaalsContact O-N 3.08Å
28H98.2Very high97.6Very high58 Ų5852.6 Ų52.627%0.26927%0.27SS..EExtended strand (participates in β ladder)trans-95.2130178.3-61.987.5000110.8L13 V30 L40 K41 E42L13-H28 WeakPolarHBondContact O-CA 3.41Å; H28-V30 PolarHBondContact O-N 3.37Å; H28-L40 CarbonylContact O-C 3.53Å; H28-L40 VanDerWaalsContact O-CA 3.28Å; H28-L40 WeakPolarHBondContact O-CA 3.3Å; H28-K41 HydrophobicContact CB-CG 3.81Å; H28-K41 PolarHBondContact N-O 3.48Å; H28-K41 PolarHBondContact O-N 2.93Å; H28-E42 IonicContact CE1-OE2 3.49Å; H28-E42 PolarHBondContact CE1-OE2 3.26Å; H28-E42 IonicContact ND1-OE2 3.47Å; H28-E42 PolarHBondContact ND1-OE2 2.99Å
29L98Very high97.6Very high0 Ų055.3 Ų55.30%028%0.282CS..EExtended strand (participates in β ladder)trans-68.1123.4175.6-178.467.8000110.9L7 A10 N12 L13 M15 A31 C32 I38 L40L7-L29 HydrophobicContact CD1-CD2 3.79Å; L7-L29 HydrophobicContact CG-CD2 4.27Å; L7-L29 WeakPolarHBondContact O-CD2 3.37Å; A10-L29 HydrophobicContact CB-CD2 4.48Å; N12-L29 VanDerWaalsContact CA-O 3.3Å; N12-L29 WeakPolarHBondContact CA-O 3.45Å; N12-L29 PolarHBondContact N-O 3.19Å; L13-L29 PolarHBondContact O-N 3.07Å; M15-L29 HydrophobicContact CE-CB 3.44Å; M15-L29 VanDerWaalsContact CE-CB 3.44Å; M15-L29 HydrophobicContact CE-CD2 3.64Å; M15-L29 HydrophobicContact CE-CG 4.07Å; M15-L29 HydrophobicContact SD-CB 3.85Å; M15-L29 HydrophobicContact SD-CD1 4.33Å; M15-L29 HydrophobicContact SD-CD2 4.31Å; M15-L29 HydrophobicContact SD-CG 4.39Å; L29-A31 VanDerWaalsContact CD1-O 3.28Å; L29-A31 WeakPolarHBondContact CD1-O 3.32Å; L29-C32 HydrophobicContact CD1-CB 4.39Å; L29-C32 HydrophobicContact CD2-CB 4.39Å; L29-I38 HydrophobicContact CD1-CB 3.84Å; L29-I38 HydrophobicContact CD1-CG2 3.95Å; L29-L40 HydrophobicContact CB-CD2 4.34Å; L29-L40 HydrophobicContact CD1-CD2 4.17Å
30V98.1Very high97.6Very high62 Ų6255 Ų5538%0.37628%0.281SS..EExtended strand (participates in β ladder)trans-95.3-45.2175179.70000110.7T11 H28 H39 K41T11-V30 WeakPolarHBondContact CG2-O 3.29Å; H28-V30 PolarHBondContact O-N 3.37Å; V30-H39 HydrophobicContact CB-CB 4.12Å; V30-H39 PolarHBondContact N-O 2.99Å; V30-K41 HydrophobicContact CG2-CB 3.72Å; V30-K41 HydrophobicContact CG2-CD 3.81Å; V30-K41 HydrophobicContact CG2-CG 3.6Å
31A97Very high97.6Very high41 Ų4151.6 Ų51.634%0.33927%0.266SS..EExtended strand (participates in β ladder)trans-156.1152.2-178.800000111L29 I38 H39L29-A31 VanDerWaalsContact CD1-O 3.28Å; L29-A31 WeakPolarHBondContact CD1-O 3.32Å; A31-I38 WeakPolarHBondContact O-CA 3.02Å; A31-H39 HydrophobicContact CB-CB 4.34Å; A31-H39 PolarHBondContact O-N 3.4Å
32C96.7Very high97.7Very high20 Ų2054.9 Ų54.914%0.13528%0.275CS..EExtended strand (participates in β ladder)trans-139.4136.8172.8-179.90000110.3L7 L29 N37 I38L7-C32 HydrophobicContact CD2-CB 4.29Å; L7-C32 WeakPolarHBondContact CD2-SG 3.48Å; L7-C32 HydrophobicContact CG-CB 4.1Å; L29-C32 HydrophobicContact CD1-CB 4.39Å; L29-C32 HydrophobicContact CD2-CB 4.39Å; C32-N37 VanDerWaalsContact CA-O 3.28Å; C32-N37 WeakPolarHBondContact CA-O 3.34Å; C32-I38 HydrophobicContact CB-CG2 4.11Å
33D96.2Very high97.7Very high49 Ų4954 Ų5426%0.26227%0.266SS..  trans-98.1-177.7173.17514.2000113.3W35 M36 N37D33-W35 VanDerWaalsContact C-N 3.25Å; D33-W35 PolarHBondContact O-N 3.49Å; D33-W35 WeakPolarHBondContact OD1-CA 3.28Å; D33-W35 PolarHBondContact OD1-N 2.59Å; D33-M36 PolarHBondContact O-N 3.39Å; D33-M36 PolarHBondContact OD1-N 3.16Å; D33-M36 VanDerWaalsContact OD1-N 3.16Å; D33-N37 PolarHBondContact N-O 3.1Å; D33-N37 WeakPolarHBondContact OD1-CB 3.39Å; D33-N37 PolarHBondContact OD1-N 3.26Å; D33-N37 PolarHBondContact OD1-ND2 3.26Å; D33-N37 WeakPolarHBondContact OD2-CB 3.41Å; D33-N37 PolarHBondContact OD2-ND2 3.11Å
34D95.7Very high97.7Very high115 Ų11553.9 Ų53.962%0.61527%0.267SS*.THydrogen-bonded Turntrans-72-17.4-177.8-66.4-31.5000113.8K8 M36K8-D34 IonicContact NZ-OD1 2.64Å; K8-D34 PolarHBondContact NZ-OD1 3.25Å; D34-M36 VanDerWaalsContact C-N 3.28Å
35W96.3Very high97.7Very high200 Ų20052.8 Ų52.876%0.75826%0.26SS*.THydrogen-bonded Turntrans-90.77.9173.5-63.2-69.2000112.7D33 N37 G63D33-W35 VanDerWaalsContact C-N 3.25Å; D33-W35 PolarHBondContact O-N 3.49Å; D33-W35 WeakPolarHBondContact OD1-CA 3.28Å; D33-W35 PolarHBondContact OD1-N 2.59Å; W35-N37 PolarHBondContact O-N 2.92Å; W35-G63 WeakPolarHBondContact O-CA 3.36Å
36M96.4Very high97.7Very high69 Ų6952 Ų5234%0.3426%0.259SS..  trans60.624.9-173.3-53.6-178.3-174.500113.2P3 V4 D33 D34 G63 I66P3-M36 HydrophobicContact CB-CE 4.14Å; V4-M36 HydrophobicContact CG2-CE 3.53Å; V4-M36 HydrophobicContact CG2-CG 3.96Å; D33-M36 PolarHBondContact O-N 3.39Å; D33-M36 PolarHBondContact OD1-N 3.16Å; D33-M36 VanDerWaalsContact OD1-N 3.16Å; D34-M36 VanDerWaalsContact C-N 3.28Å; M36-G63 VanDerWaalsContact C-CA 3.43Å; M36-G63 WeakPolarHBondContact O-CA 3.47Å; M36-G63 PolarHBondContact O-N 3.19Å; M36-I66 WeakPolarHBondContact O-CD1 3.4Å
37N97.8Very high97.6Very high16 Ų1648.6 Ų48.69%0.08624%0.242CC..  trans-68.9133.4163.7-53.4-47.5000107.9C32 D33 W35 Y60 I61 R62 G63C32-N37 VanDerWaalsContact CA-O 3.28Å; C32-N37 WeakPolarHBondContact CA-O 3.34Å; D33-N37 PolarHBondContact N-O 3.1Å; D33-N37 WeakPolarHBondContact OD1-CB 3.39Å; D33-N37 PolarHBondContact OD1-N 3.26Å; D33-N37 PolarHBondContact OD1-ND2 3.26Å; D33-N37 WeakPolarHBondContact OD2-CB 3.41Å; D33-N37 PolarHBondContact OD2-ND2 3.11Å; W35-N37 PolarHBondContact O-N 2.92Å; N37-Y60 HydrophobicContact CB-CE2 3.74Å; N37-Y60 VanDerWaalsContact CB-OH 3.24Å; N37-Y60 WeakPolarHBondContact CB-OH 3.24Å; N37-Y60 VanDerWaalsContact CG-OH 3.23Å; N37-Y60 PolarHBondContact ND2-OH 3.48Å; N37-I61 WeakPolarHBondContact CA-O 3.33Å; N37-R62 VanDerWaalsContact OD1-CA 3.27Å; N37-R62 WeakPolarHBondContact OD1-CA 3.38Å; N37-R62 WeakPolarHBondContact OD1-CG 3.47Å; N37-G63 PolarHBondContact OD1-N 2.9Å
38I98.2Very high97.6Very high0 Ų057.6 Ų57.60%028%0.275CS..EExtended strand (participates in β ladder)trans-125.2144.7-174.461.7177.3000111.1L7 V17 L29 A31 C32 L40 I61 I66 L69L7-I38 HydrophobicContact CD2-CG2 4.07Å; V17-I38 HydrophobicContact CB-CD1 4.4Å; V17-I38 HydrophobicContact CG1-CD1 4.01Å; V17-I38 HydrophobicContact CG2-CD1 3.6Å; L29-I38 HydrophobicContact CD1-CB 3.84Å; L29-I38 HydrophobicContact CD1-CG2 3.95Å; A31-I38 WeakPolarHBondContact O-CA 3.02Å; C32-I38 HydrophobicContact CB-CG2 4.11Å; I38-L40 HydrophobicContact CD1-CD1 4.37Å; I38-L40 HydrophobicContact CD1-CD2 4.24Å; I38-L40 HydrophobicContact CD1-CG 4.26Å; I38-I61 HydrophobicContact CD1-CB 4.27Å; I38-I61 HydrophobicContact CD1-CD1 4.28Å; I38-I61 HydrophobicContact CG1-CB 3.77Å; I38-I61 HydrophobicContact CG1-CG2 4.42Å; I38-I61 PolarHBondContact N-O 3.16Å; I38-I61 PolarHBondContact O-N 2.64Å; I38-I66 HydrophobicContact CD1-CD1 3.85Å; I38-I66 HydrophobicContact CG1-CD1 4.12Å; I38-L69 HydrophobicContact CD1-CD2 4.28Å
39H98.4Very high97.4Very high86 Ų8660.9 Ų60.940%0.39830%0.295SS..EExtended strand (participates in β ladder)trans-108.1124.2168.7-63.8-97000108.1V30 A31 C59 Y60V30-H39 HydrophobicContact CB-CB 4.12Å; V30-H39 PolarHBondContact N-O 2.99Å; A31-H39 HydrophobicContact CB-CB 4.34Å; A31-H39 PolarHBondContact O-N 3.4Å; H39-C59 WeakPolarHBondContact CA-O 3.27Å; H39-Y60 AromaticContact CD2-CD2 3.9Å; H39-Y60 AromaticContact CE1-CD2 3.24Å; H39-Y60 WeakPolarHBondContact CE1-CD2 3.43Å; H39-Y60 AromaticContact CE1-CE2 3.7Å; H39-Y60 AromaticContact CG-CD2 4Å; H39-Y60 AromaticContact ND1-CD2 3.6Å; H39-Y60 AromaticContact NE2-CD2 3.43Å; H39-Y60 WeakPolarHBondContact NE2-CD2 3.24Å; H39-Y60 AromaticContact NE2-CE2 3.47Å; H39-Y60 WeakPolarHBondContact NE2-CE2 3.03Å
40L98.6Very high97.2Very high2 Ų262.8 Ų62.81%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-113.9149.1175.9-58179.8000110.3M15 V17 H28 L29 I38 V43 E58 C59 I61M15-L40 HydrophobicContact CG-CD2 4.27Å; M15-L40 HydrophobicContact SD-CD2 4.41Å; V17-L40 HydrophobicContact CG2-CD1 3.89Å; H28-L40 CarbonylContact O-C 3.53Å; H28-L40 VanDerWaalsContact O-CA 3.28Å; H28-L40 WeakPolarHBondContact O-CA 3.3Å; L29-L40 HydrophobicContact CB-CD2 4.34Å; L29-L40 HydrophobicContact CD1-CD2 4.17Å; I38-L40 HydrophobicContact CD1-CD1 4.37Å; I38-L40 HydrophobicContact CD1-CD2 4.24Å; I38-L40 HydrophobicContact CD1-CG 4.26Å; L40-V43 HydrophobicContact CB-CG2 3.52Å; L40-V43 HydrophobicContact CD1-CG1 4.44Å; L40-E58 CarbonylContact O-C 3.57Å; L40-E58 VanDerWaalsContact O-CA 3.24Å; L40-E58 WeakPolarHBondContact O-CA 3.28Å; L40-C59 PolarHBondContact N-O 3.33Å; L40-C59 PolarHBondContact O-N 3.2Å; L40-I61 HydrophobicContact CD1-CD1 3.98Å
41K98.4Very high97Very high72 Ų7264.5 Ų64.531%0.31332%0.321SS..EExtended strand (participates in β ladder)trans-120.7158.2169.267.4176.4-179.6174.10111.6H28 V30 P57 E58H28-K41 HydrophobicContact CB-CG 3.81Å; H28-K41 PolarHBondContact N-O 3.48Å; H28-K41 PolarHBondContact O-N 2.93Å; V30-K41 HydrophobicContact CG2-CB 3.72Å; V30-K41 HydrophobicContact CG2-CD 3.81Å; V30-K41 HydrophobicContact CG2-CG 3.6Å; K41-P57 CarbonylContact C-O 3.57Å; K41-P57 WeakPolarHBondContact CA-O 2.99Å; K41-E58 HydrophobicContact CB-CG 4.24Å
42E98.2Very high97Very high129 Ų12968.9 Ų68.960%0.60333%0.329SS*.EExtended strand (participates in β ladder)trans53.655.4-179.6-62.4171.2-173.300111.5H28 P57H28-E42 IonicContact CE1-OE2 3.49Å; H28-E42 PolarHBondContact CE1-OE2 3.26Å; H28-E42 IonicContact ND1-OE2 3.47Å; H28-E42 PolarHBondContact ND1-OE2 2.99Å; E42-P57 PolarHBondContact N-O 3.24Å
43V98.5Very high97.1Very high1 Ų173.9 Ų73.91%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-95135.5-163.2-167.60000111.4Y25 N26 L40 K55 M56 C59Y25-V43 HydrophobicContact CD1-CG1 3.81Å; Y25-V43 HydrophobicContact CG-CG1 4.44Å; N26-V43 CarbonylContact O-C 3.58Å; N26-V43 VanDerWaalsContact O-CA 3.26Å; N26-V43 WeakPolarHBondContact O-CA 3.33Å; L40-V43 HydrophobicContact CB-CG2 3.52Å; L40-V43 HydrophobicContact CD1-CG1 4.44Å; V43-K55 CarbonylContact O-C 3.51Å; V43-K55 WeakPolarHBondContact O-CA 3.46Å; V43-M56 HydrophobicContact CB-CB 4.46Å; V43-M56 PolarHBondContact N-O 3Å; V43-M56 PolarHBondContact O-N 3.33Å; V43-C59 HydrophobicContact CG2-CB 4.48Å
44I98.3Very high97.1Very high66 Ų6676.9 Ų76.934%0.33836%0.356SS..EExtended strand (participates in β ladder)trans-110.1112.3165.9-55.6177.9000107.5N26 F53 W54 K55N26-I44 PolarHBondContact N-O 3.45Å; N26-I44 PolarHBondContact O-N 3.15Å; I44-F53 HydrophobicContact CG2-CD1 4.05Å; I44-W54 CarbonylContact C-O 3.55Å; I44-W54 WeakPolarHBondContact CA-O 3.47Å; I44-K55 HydrophobicContact CG1-CG 4.37Å
45C98Very high97.2Very high6 Ų679.9 Ų79.94%0.04136%0.364CS..EExtended strand (participates in β ladder)trans-88.5136.7169.8178.90000109.3T24 Y25 F53 W54T24-C45 CarbonylContact O-C 3.58Å; T24-C45 WeakPolarHBondContact O-CA 3.48Å; Y25-C45 HydrophobicContact CD1-CB 3.91Å; Y25-C45 HydrophobicContact CE1-CB 3.74Å; Y25-C45 VanDerWaalsContact CZ-SG 3.55Å; C45-F53 CarbonylContact O-C 3.48Å; C45-F53 VanDerWaalsContact O-CA 3.24Å; C45-F53 WeakPolarHBondContact O-CA 3.35Å; C45-W54 HydrophobicContact CB-CB 4.41Å; C45-W54 PolarHBondContact N-O 3.21Å; C45-W54 PolarHBondContact O-N 3.41Å
46T98.1Very high97.3Very high21 Ų2174.1 Ų74.113%0.12935%0.347CS..EExtended strand (participates in β ladder)trans-119.8132.7174.2-54.80000109.2E23 T24 R52 F53E23-T46 WeakPolarHBondContact CA-O 3.16Å; T24-T46 PolarHBondContact N-O 3.07Å; T24-T46 VanDerWaalsContact N-O 3.09Å; T24-T46 PolarHBondContact O-N 3.2Å; T24-T46 WeakPolarHBondContact OG1-CB 3.39Å; T46-R52 WeakPolarHBondContact CA-O 3.5Å; T46-F53 HydrophobicContact CG2-CD1 3.97Å; T46-F53 HydrophobicContact CG2-CE1 3.47Å; T46-F53 VanDerWaalsContact CG2-CE1 3.47Å; T46-F53 HydrophobicContact CG2-CE2 4.38Å; T46-F53 HydrophobicContact CG2-CZ 3.69Å; T46-F53 WeakPolarHBondContact OG1-CD1 3.24Å; T46-F53 WeakPolarHBondContact OG1-CE1 3.27Å
47S97.5Very high97.4Very high7 Ų776.3 Ų76.35%0.04937%0.366CS..  trans-57.9157.5174.1600000111.1D49 G50 D51 R52S47-D49 PolarHBondContact O-N 3.33Å; S47-D49 VanDerWaalsContact O-N 3.17Å; S47-G50 PolarHBondContact O-N 3.21Å; S47-G50 PolarHBondContact OG-N 3.47Å; S47-D51 PolarHBondContact OG-N 3.31Å; S47-D51 PolarHBondContact OG-OD1 3.07Å; S47-R52 PolarHBondContact N-O 3.32Å; S47-R52 PolarHBondContact OG-N 3.09Å; S47-R52 VanDerWaalsContact OG-N 3.09Å; S47-R52 PolarHBondContact OG-O 3.29Å
48R96.5Very high97.4Very high190 Ų19082.2 Ų82.272%0.71739%0.393SS*.THydrogen-bonded Turntrans-52.5-37.2174.7179.5-177.5179.9-178.2-3.1113.2S21 G50S21-R48 WeakPolarHBondContact O-CD 3.47Å; R48-G50 VanDerWaalsContact C-N 3.26Å; R48-G50 PolarHBondContact O-N 2.91Å
49D95.3Very high97.4Very high127 Ų12783 Ų8368%0.67940%0.398SS*.THydrogen-bonded Turntrans-81.3-6.9-177.9-54.9-46.6000112.7S47 D51S47-D49 PolarHBondContact O-N 3.33Å; S47-D49 VanDerWaalsContact O-N 3.17Å; D49-D51 PolarHBondContact O-N 3.46Å
50G93.9Very high97.4Very high39 Ų3984.8 Ų84.840%0.40240%0.402SS..SBendtrans75.67.1-179.800000114.6S47 R48 F53S47-G50 PolarHBondContact O-N 3.21Å; S47-G50 PolarHBondContact OG-N 3.47Å; R48-G50 VanDerWaalsContact C-N 3.26Å; R48-G50 PolarHBondContact O-N 2.91Å; G50-F53 VanDerWaalsContact O-CE2 3.25Å; G50-F53 WeakPolarHBondContact O-CE2 3.34Å; G50-F53 WeakPolarHBondContact O-CZ 3.24Å
51D94.2Very high97.4Very high99 Ų9985 Ų8553%0.52940%0.403SS..  trans-93.6-23.5-170.971-25.2000113.9S47 D49S47-D51 PolarHBondContact OG-N 3.31Å; S47-D51 PolarHBondContact OG-OD1 3.07Å; D49-D51 PolarHBondContact O-N 3.46Å
52R97Very high97.4Very high132 Ų13289.1 Ų89.150%0.49842%0.417SS..  trans-126.1137-173.5-69.2175.4-69.9164.50.7110.3T46 S47 W54T46-R52 WeakPolarHBondContact CA-O 3.5Å; S47-R52 PolarHBondContact N-O 3.32Å; S47-R52 PolarHBondContact OG-N 3.09Å; S47-R52 VanDerWaalsContact OG-N 3.09Å; S47-R52 PolarHBondContact OG-O 3.29Å; R52-W54 HydrophobicContact CB-CE3 4.41Å; R52-W54 HydrophobicContact CB-CH2 3.27Å; R52-W54 HydrophobicContact CB-CZ2 3.72Å; R52-W54 HydrophobicContact CB-CZ3 3.65Å; R52-W54 HydrophobicContact CG-CH2 4.19Å; R52-W54 HydrophobicContact CG-CZ2 4.39Å
53F97.5Very high97.4Very high126 Ų12683.6 Ų83.655%0.55339%0.394SS*.EExtended strand (participates in β ladder)trans-129.4134-177.4-62.4-99.9000109.6I44 C45 T46 G50I44-F53 HydrophobicContact CG2-CD1 4.05Å; C45-F53 CarbonylContact O-C 3.48Å; C45-F53 VanDerWaalsContact O-CA 3.24Å; C45-F53 WeakPolarHBondContact O-CA 3.35Å; T46-F53 HydrophobicContact CG2-CD1 3.97Å; T46-F53 HydrophobicContact CG2-CE1 3.47Å; T46-F53 VanDerWaalsContact CG2-CE1 3.47Å; T46-F53 HydrophobicContact CG2-CE2 4.38Å; T46-F53 HydrophobicContact CG2-CZ 3.69Å; T46-F53 WeakPolarHBondContact OG1-CD1 3.24Å; T46-F53 WeakPolarHBondContact OG1-CE1 3.27Å; G50-F53 VanDerWaalsContact O-CE2 3.25Å; G50-F53 WeakPolarHBondContact O-CE2 3.34Å; G50-F53 WeakPolarHBondContact O-CZ 3.24Å
54W97.3Very high97.4Very high111 Ų11186.5 Ų86.542%0.4242%0.415SS..EExtended strand (participates in β ladder)trans-124.8131.9175.9-61.5-92000109.8I44 C45 R52I44-W54 CarbonylContact C-O 3.55Å; I44-W54 WeakPolarHBondContact CA-O 3.47Å; C45-W54 HydrophobicContact CB-CB 4.41Å; C45-W54 PolarHBondContact N-O 3.21Å; C45-W54 PolarHBondContact O-N 3.41Å; R52-W54 HydrophobicContact CB-CE3 4.41Å; R52-W54 HydrophobicContact CB-CH2 3.27Å; R52-W54 HydrophobicContact CB-CZ2 3.72Å; R52-W54 HydrophobicContact CB-CZ3 3.65Å; R52-W54 HydrophobicContact CG-CH2 4.19Å; R52-W54 HydrophobicContact CG-CZ2 4.39Å
55K97.9Very high97.4Very high178 Ų17887 Ų8777%0.77442%0.418SS*.EExtended strand (participates in β ladder)trans-93.4134.5171.6-65.3-172177.6-178.90109.4V43 I44V43-K55 CarbonylContact O-C 3.51Å; V43-K55 WeakPolarHBondContact O-CA 3.46Å; I44-K55 HydrophobicContact CG1-CG 4.37Å
56M97.8Very high97.4Very high80 Ų8087.8 Ų87.839%0.39442%0.421SS..EExtended strand (participates in β ladder)trans-134.1135.7177.7-62.1175.768.500108.9V43 E58 C59V43-M56 HydrophobicContact CB-CB 4.46Å; V43-M56 PolarHBondContact N-O 3Å; V43-M56 PolarHBondContact O-N 3.33Å; M56-E58 VanDerWaalsContact C-N 3.28Å; M56-E58 PolarHBondContact O-N 2.67Å; M56-C59 HydrophobicContact CE-CB 4.27Å
57P98.3Very high97.4Very high115 Ų11592.9 Ų92.975%0.74744%0.441SS*.EExtended strand (participates in β ladder)trans-58.3-42.7175.1-24.734.3000112K41 E42K41-P57 CarbonylContact C-O 3.57Å; K41-P57 WeakPolarHBondContact CA-O 2.99Å; E42-P57 PolarHBondContact N-O 3.24Å
58E98.2Very high97.4Very high139 Ų13996.1 Ų96.165%0.6545%0.453SS*.EExtended strand (participates in β ladder)trans-147.9154.4-180-63.1-174.8170.900110.6L40 K41 M56L40-E58 CarbonylContact O-C 3.57Å; L40-E58 VanDerWaalsContact O-CA 3.24Å; L40-E58 WeakPolarHBondContact O-CA 3.28Å; K41-E58 HydrophobicContact CB-CG 4.24Å; M56-E58 VanDerWaalsContact C-N 3.28Å; M56-E58 PolarHBondContact O-N 2.67Å
59C97.9Very high97.5Very high16 Ų1689.2 Ų89.211%0.10843%0.43CS..EExtended strand (participates in β ladder)trans-144.7155.5167.278.40000112H39 L40 V43 M56H39-C59 WeakPolarHBondContact CA-O 3.27Å; L40-C59 PolarHBondContact N-O 3.33Å; L40-C59 PolarHBondContact O-N 3.2Å; V43-C59 HydrophobicContact CG2-CB 4.48Å; M56-C59 HydrophobicContact CE-CB 4.27Å
60Y98.2Very high97.6Very high124 Ų12490.4 Ų90.449%0.48643%0.425SS..EExtended strand (participates in β ladder)trans-114.2129.1170.7174.5-104.9000109.4N37 H39N37-Y60 HydrophobicContact CB-CE2 3.74Å; N37-Y60 VanDerWaalsContact CB-OH 3.24Å; N37-Y60 WeakPolarHBondContact CB-OH 3.24Å; N37-Y60 VanDerWaalsContact CG-OH 3.23Å; N37-Y60 PolarHBondContact ND2-OH 3.48Å; H39-Y60 AromaticContact CD2-CD2 3.9Å; H39-Y60 AromaticContact CE1-CD2 3.24Å; H39-Y60 WeakPolarHBondContact CE1-CD2 3.43Å; H39-Y60 AromaticContact CE1-CE2 3.7Å; H39-Y60 AromaticContact CG-CD2 4Å; H39-Y60 AromaticContact ND1-CD2 3.6Å; H39-Y60 AromaticContact NE2-CD2 3.43Å; H39-Y60 WeakPolarHBondContact NE2-CD2 3.24Å; H39-Y60 AromaticContact NE2-CE2 3.47Å; H39-Y60 WeakPolarHBondContact NE2-CE2 3.03Å
61I98.4Very high97.6Very high7 Ų790.5 Ų90.54%0.03642%0.416CS..EExtended strand (participates in β ladder)trans-122.6126.5-179.3-60.6171.4000108.3V17 L19 Y25 N37 I38 L40 I65 I66V17-I61 HydrophobicContact CG1-CD1 4.3Å; L19-I61 HydrophobicContact CD2-CD1 4.48Å; L19-I61 HydrophobicContact CD2-CG2 3.58Å; Y25-I61 HydrophobicContact CD1-CD1 4.05Å; Y25-I61 HydrophobicContact CD2-CD1 3.94Å; Y25-I61 HydrophobicContact CG-CD1 3.68Å; N37-I61 WeakPolarHBondContact CA-O 3.33Å; I38-I61 HydrophobicContact CD1-CB 4.27Å; I38-I61 HydrophobicContact CD1-CD1 4.28Å; I38-I61 HydrophobicContact CG1-CB 3.77Å; I38-I61 HydrophobicContact CG1-CG2 4.42Å; I38-I61 PolarHBondContact N-O 3.16Å; I38-I61 PolarHBondContact O-N 2.64Å; L40-I61 HydrophobicContact CD1-CD1 3.98Å; I61-I65 HydrophobicContact CG2-CD1 4.4Å; I61-I65 HydrophobicContact CG2-CG1 4.29Å; I61-I66 HydrophobicContact CG2-CD1 4.12Å; I61-I66 HydrophobicContact CG2-CG1 3.79Å
62R98.4Very high97.6Very high159 Ų15987.4 Ų87.460%0.640%0.401SS*.  trans-72.3131.4175.7-171.1-177.5176.3111.53110.4N37 S64 I65N37-R62 VanDerWaalsContact OD1-CA 3.27Å; N37-R62 WeakPolarHBondContact OD1-CA 3.38Å; N37-R62 WeakPolarHBondContact OD1-CG 3.47Å; R62-S64 VanDerWaalsContact CD-OG 3.24Å; R62-S64 WeakPolarHBondContact CD-OG 3.47Å; R62-S64 WeakPolarHBondContact CG-OG 3.32Å; R62-S64 PolarHBondContact NE-OG 2.71Å; R62-S64 PolarHBondContact O-N 3.38Å; R62-I65 HydrophobicContact CB-CG1 4.32Å; R62-I65 WeakPolarHBondContact O-CG1 3.35Å; R62-I65 PolarHBondContact O-N 3.37Å; R62-I65 VanDerWaalsContact O-N 3.15Å
63G98.1Very high97.4Very high12 Ų1287.3 Ų87.312%0.12441%0.41CS..G310 helixtrans-60.2-32.7-17700000114.1W35 M36 N37 I65 I66W35-G63 WeakPolarHBondContact O-CA 3.36Å; M36-G63 VanDerWaalsContact C-CA 3.43Å; M36-G63 WeakPolarHBondContact O-CA 3.47Å; M36-G63 PolarHBondContact O-N 3.19Å; N37-G63 PolarHBondContact OD1-N 2.9Å; G63-I65 PolarHBondContact O-N 3.39Å; G63-I65 VanDerWaalsContact O-N 3.11Å; G63-I66 WeakPolarHBondContact O-CB 3.28Å; G63-I66 PolarHBondContact O-N 2.85Å; G63-I66 VanDerWaalsContact O-N 3.08Å
64S98Very high97Very high63 Ų6386.4 Ų86.444%0.44141%0.412SS..G310 helixtrans-64-18.6-179.864.30000114.6K20 R62K20-S64 WeakPolarHBondContact CE-O 3.45Å; K20-S64 PolarHBondContact NZ-O 3.05Å; R62-S64 VanDerWaalsContact CD-OG 3.24Å; R62-S64 WeakPolarHBondContact CD-OG 3.47Å; R62-S64 WeakPolarHBondContact CG-OG 3.32Å; R62-S64 PolarHBondContact NE-OG 2.71Å; R62-S64 PolarHBondContact O-N 3.38Å
65I98.2Very high96.8Very high77 Ų7781.4 Ų81.440%0.39539%0.393SS..G310 helixtrans-101.7-2.5178.265.1164.2000113.1L19 K20 I61 R62 G63L19-I65 WeakPolarHBondContact CA-O 3.38Å; L19-I65 HydrophobicContact CD1-CD1 4.05Å; L19-I65 HydrophobicContact CD2-CD1 4.41Å; L19-I65 HydrophobicContact CD2-CG1 4.4Å; K20-I65 WeakPolarHBondContact CG-O 3.43Å; K20-I65 PolarHBondContact N-O 3.22Å; I61-I65 HydrophobicContact CG2-CD1 4.4Å; I61-I65 HydrophobicContact CG2-CG1 4.29Å; R62-I65 HydrophobicContact CB-CG1 4.32Å; R62-I65 WeakPolarHBondContact O-CG1 3.35Å; R62-I65 PolarHBondContact O-N 3.37Å; R62-I65 VanDerWaalsContact O-N 3.15Å; G63-I65 PolarHBondContact O-N 3.39Å; G63-I65 VanDerWaalsContact O-N 3.11Å
66I98.3Very high96.5Very high21 Ų2176.8 Ų76.811%0.10838%0.376CS..EExtended strand (participates in β ladder)trans-74.1136175.2-59.4177.9000108.8V17 L19 M36 I38 I61 G63 L69V17-I66 HydrophobicContact CG1-CD1 4.22Å; V17-I66 HydrophobicContact CG1-CG1 4.08Å; V17-I66 HydrophobicContact CG1-CG2 4.04Å; L19-I66 HydrophobicContact CD2-CG1 4.39Å; M36-I66 WeakPolarHBondContact O-CD1 3.4Å; I38-I66 HydrophobicContact CD1-CD1 3.85Å; I38-I66 HydrophobicContact CG1-CD1 4.12Å; I61-I66 HydrophobicContact CG2-CD1 4.12Å; I61-I66 HydrophobicContact CG2-CG1 3.79Å; G63-I66 WeakPolarHBondContact O-CB 3.28Å; G63-I66 PolarHBondContact O-N 2.85Å; G63-I66 VanDerWaalsContact O-N 3.08Å; I66-L69 HydrophobicContact CG2-CD2 4.13Å; I66-L69 HydrophobicContact CG2-CG 4.13Å
67K98.4Very high96.1Very high129 Ų12977.3 Ų77.356%0.56138%0.381SS*.EExtended strand (participates in β ladder)trans-93.1-53.5172.2-174.6-173.1170-172.60110E18 K20E18-K67 HydrophobicContact CG-CD 4.4Å; E18-K67 WeakPolarHBondContact O-CB 3.42Å; E18-K67 PolarHBondContact O-N 3.06Å; E18-K67 WeakPolarHBondContact OE1-CD 3.44Å; E18-K67 IonicContact OE1-NZ 2.74Å; E18-K67 PolarHBondContact OE1-NZ 3.47Å; K20-K67 HydrophobicContact CG-CB 4.3Å
68Y98.1Very high95.6Very high75 Ų7575.4 Ų75.429%0.29436%0.361SS..EExtended strand (participates in β ladder)trans-156.8166.817468.2-97.1000112L16 E18 R70L16-Y68 HydrophobicContact CD2-CE2 4.28Å; E18-Y68 HydrophobicContact CB-CD1 4.07Å; E18-Y68 HydrophobicContact CB-CD2 4.49Å; E18-Y68 HydrophobicContact CB-CE1 3.65Å; E18-Y68 HydrophobicContact CB-CE2 4.1Å; E18-Y68 HydrophobicContact CB-CG 4.47Å; E18-Y68 HydrophobicContact CG-CE1 3.98Å; E18-Y68 PolarHBondContact N-O 3.33Å; E18-Y68 PolarHBondContact O-N 2.74Å; E18-Y68 WeakPolarHBondContact OE1-CE1 3.5Å; E18-Y68 WeakPolarHBondContact OE2-CE1 3.07Å; E18-Y68 PolarHBondContact OE2-OH 2.8Å; Y68-R70 HydrophobicContact CD2-CG 4.28Å; Y68-R70 HydrophobicContact CE2-CG 3.96Å; Y68-R70 PolarHBondContact OH-NH2 3.11Å
69L97.4Very high95.2Very high45 Ų4569.6 Ų69.624%0.23633%0.334CS..EExtended strand (participates in β ladder)trans-123.1141.4177.9-60.4164.3000109.3L7 L16 V17 I38 I66 I71L7-L69 HydrophobicContact CD1-CD1 3.82Å; L7-L69 HydrophobicContact CD2-CD1 3.59Å; L7-L69 HydrophobicContact CG-CD1 4.31Å; L16-L69 CarbonylContact O-C 3.52Å; L16-L69 WeakPolarHBondContact O-CA 3.24Å; V17-L69 HydrophobicContact CB-CD2 3.91Å; V17-L69 HydrophobicContact CG1-CD2 3.68Å; V17-L69 HydrophobicContact CG2-CD2 3.5Å; V17-L69 VanDerWaalsContact CG2-CD2 3.5Å; I38-L69 HydrophobicContact CD1-CD2 4.28Å; I66-L69 HydrophobicContact CG2-CD2 4.13Å; I66-L69 HydrophobicContact CG2-CG 4.13Å; L69-I71 HydrophobicContact CB-CG1 4.28Å
70R97.2Very high94.8Very high152 Ų15273.8 Ų73.857%0.57435%0.351SS*.EExtended strand (participates in β ladder)trans-109.1115164.8-59.8-174.3-178.7170.25.1108.4M15 L16 Y68M15-R70 WeakPolarHBondContact CA-O 3.34Å; M15-R70 VanDerWaalsContact CB-O 3.24Å; M15-R70 WeakPolarHBondContact CB-O 3.48Å; L16-R70 HydrophobicContact CB-CB 4.22Å; L16-R70 HydrophobicContact CD2-CG 4.38Å; L16-R70 PolarHBondContact N-O 3.08Å; L16-R70 VanDerWaalsContact N-O 3.08Å; L16-R70 PolarHBondContact O-N 3.18Å; Y68-R70 HydrophobicContact CD2-CG 4.28Å; Y68-R70 HydrophobicContact CE2-CG 3.96Å; Y68-R70 PolarHBondContact OH-NH2 3.11Å
71I95.2Very high94.4Very high41 Ų4173.4 Ų73.421%0.2135%0.354CS..  trans-111.8142.2-176.9-56.1175.2000107.6L7 A10 M15 L69 V75L7-I71 HydrophobicContact CD1-CD1 3.95Å; A10-I71 HydrophobicContact CB-CD1 4.35Å; A10-I71 HydrophobicContact CB-CG2 3.52Å; M15-I71 HydrophobicContact CE-CG1 4.32Å; L69-I71 HydrophobicContact CB-CG1 4.28Å; I71-V75 HydrophobicContact CG2-CB 4.02Å; I71-V75 HydrophobicContact CG2-CG1 3.91Å; I71-V75 HydrophobicContact CG2-CG2 4.36Å
72P94.2Very high93.9Very high33 Ų3377.5 Ų77.521%0.21438%0.375CS..  trans-62.6145.7176.1-22.134.3000112L13 P14 D74 V75L13-P72 HydrophobicContact CB-CG 4.32Å; P14-P72 HydrophobicContact CG-CG 4.14Å; P14-P72 WeakPolarHBondContact O-CD 3.44Å; P14-P72 WeakPolarHBondContact O-CG 3.17Å; P72-D74 PolarHBondContact O-N 2.8Å; P72-V75 WeakPolarHBondContact O-CB 3.47Å; P72-V75 WeakPolarHBondContact O-CG1 3.21Å; P72-V75 PolarHBondContact O-N 2.92Å
73D91.4Very high93.3Very high130 Ų13074 Ų7470%0.69537%0.368SS*.THydrogen-bonded Turntrans-63.9-23.9-179.8-67.8-33.2000113V75 I76D73-V75 PolarHBondContact O-N 3.43Å; D73-I76 VanDerWaalsContact O-CB 3.32Å; D73-I76 WeakPolarHBondContact O-CB 3.26Å; D73-I76 WeakPolarHBondContact O-CG1 3.49Å; D73-I76 PolarHBondContact O-N 2.9Å
74D90.2Very high92.9Very high108 Ų10879.1 Ų79.158%0.57839%0.389SS*.THydrogen-bonded Turntrans-54.6-22.9175-59.8-16.4000113.3P72 I76 D77 K78P72-D74 PolarHBondContact O-N 2.8Å; D74-I76 PolarHBondContact O-N 2.91Å; D74-D77 PolarHBondContact O-N 3.03Å; D74-K78 PolarHBondContact O-N 2.8Å
75V93.1Very high92.4Very high5 Ų580.2 Ų80.23%0.0339%0.389CS..Hα-helixtrans-57.6-32.6174.472.80000111.8L6 A9 A10 L13 I71 P72 D73 D77 K78 V79L6-V75 HydrophobicContact CD1-CG1 3.82Å; L6-V75 HydrophobicContact CD1-CG2 3.98Å; A9-V75 HydrophobicContact CB-CG2 4.03Å; A10-V75 HydrophobicContact CB-CG2 3.87Å; L13-V75 HydrophobicContact CD1-CB 4Å; L13-V75 HydrophobicContact CD1-CG2 4.42Å; I71-V75 HydrophobicContact CG2-CB 4.02Å; I71-V75 HydrophobicContact CG2-CG1 3.91Å; I71-V75 HydrophobicContact CG2-CG2 4.36Å; P72-V75 WeakPolarHBondContact O-CB 3.47Å; P72-V75 WeakPolarHBondContact O-CG1 3.21Å; P72-V75 PolarHBondContact O-N 2.92Å; D73-V75 PolarHBondContact O-N 3.43Å; V75-D77 VanDerWaalsContact C-N 3.27Å; V75-D77 PolarHBondContact O-N 3.08Å; V75-K78 PolarHBondContact O-N 3.08Å; V75-V79 HydrophobicContact CG2-CG2 4.43Å; V75-V79 WeakPolarHBondContact O-CB 3.43Å; V75-V79 VanDerWaalsContact O-CG2 3.26Å; V75-V79 WeakPolarHBondContact O-CG2 3.46Å; V75-V79 PolarHBondContact O-N 2.83Å
76I91.7Very high91.9Very high82 Ų8278.9 Ų78.942%0.42139%0.39SS..Hα-helixtrans-64.4-38.1-177.8-64.2175.4000110.1D73 D74 V79 K80D73-I76 VanDerWaalsContact O-CB 3.32Å; D73-I76 WeakPolarHBondContact O-CB 3.26Å; D73-I76 WeakPolarHBondContact O-CG1 3.49Å; D73-I76 PolarHBondContact O-N 2.9Å; D74-I76 PolarHBondContact O-N 2.91Å; I76-V79 PolarHBondContact O-N 3.04Å; I76-K80 WeakPolarHBondContact O-CG 3.14Å; I76-K80 PolarHBondContact O-N 3.47Å
77D89.9Confident91.3Very high91 Ų9185.2 Ų85.249%0.48742%0.416SS..Hα-helixtrans-75.5-38.9-178.9-66.9-28.5000111.7D74 V75 V79 K80 E81D74-D77 PolarHBondContact O-N 3.03Å; V75-D77 VanDerWaalsContact C-N 3.27Å; V75-D77 PolarHBondContact O-N 3.08Å; D77-V79 VanDerWaalsContact C-N 3.29Å; D77-V79 PolarHBondContact O-N 2.8Å; D77-K80 PolarHBondContact O-N 3.07Å; D77-K80 VanDerWaalsContact O-N 3.15Å; D77-K80 IonicContact OD1-NZ 2.82Å; D77-K80 PolarHBondContact OD1-NZ 2.84Å; D77-E81 PolarHBondContact O-N 2.94Å
78K87.8Confident90.7Very high75 Ų7585.2 Ų85.233%0.32642%0.42SS..Hα-helixtrans-56.2-45169.7-67.7-173.6176.4-173.60111.9L13 D74 V75 K80 E81 D82L13-K78 HydrophobicContact CD1-CD 4.38Å; D74-K78 PolarHBondContact O-N 2.8Å; V75-K78 PolarHBondContact O-N 3.08Å; K78-K80 PolarHBondContact O-N 3.49Å; K78-E81 WeakPolarHBondContact O-CB 3.41Å; K78-E81 PolarHBondContact O-N 2.93Å; K78-D82 PolarHBondContact O-N 3.15Å
79V89.7Confident89.9Confident16 Ų1690.7 Ų90.710%0.09744%0.44CS..Hα-helixtrans-62.4-41.5177.7163.90000112M1 L6 A9 V75 I76 D77 E81 D82 L83M1-V79 HydrophobicContact CE-CB 4.39Å; M1-V79 HydrophobicContact CE-CG1 3.09Å; M1-V79 HydrophobicContact CE-CG2 4.48Å; L6-V79 HydrophobicContact CD1-CG2 4.29Å; A9-V79 HydrophobicContact CB-CG2 3.38Å; V75-V79 HydrophobicContact CG2-CG2 4.43Å; V75-V79 WeakPolarHBondContact O-CB 3.43Å; V75-V79 VanDerWaalsContact O-CG2 3.26Å; V75-V79 WeakPolarHBondContact O-CG2 3.46Å; V75-V79 PolarHBondContact O-N 2.83Å; I76-V79 PolarHBondContact O-N 3.04Å; D77-V79 VanDerWaalsContact C-N 3.29Å; D77-V79 PolarHBondContact O-N 2.8Å; V79-E81 VanDerWaalsContact C-N 3.33Å; V79-D82 PolarHBondContact O-N 2.92Å; V79-L83 HydrophobicContact CG1-CD1 4.08Å; V79-L83 WeakPolarHBondContact O-CB 3.35Å; V79-L83 VanDerWaalsContact O-CG 3.29Å; V79-L83 WeakPolarHBondContact O-CG 3.41Å; V79-L83 PolarHBondContact O-N 2.92Å
80K89.8Confident89Confident104 Ų10494.1 Ų94.145%0.45246%0.459SS..Hα-helixtrans-63-42.5176.7-72.9169.8-167.1153.90110.9I76 D77 K78 L83 Q84I76-K80 WeakPolarHBondContact O-CG 3.14Å; I76-K80 PolarHBondContact O-N 3.47Å; D77-K80 PolarHBondContact O-N 3.07Å; D77-K80 VanDerWaalsContact O-N 3.15Å; D77-K80 IonicContact OD1-NZ 2.82Å; D77-K80 PolarHBondContact OD1-NZ 2.84Å; K78-K80 PolarHBondContact O-N 3.49Å; K80-L83 PolarHBondContact O-N 3.4Å; K80-Q84 VanDerWaalsContact O-CG 3.27Å; K80-Q84 WeakPolarHBondContact O-CG 3.36Å; K80-Q84 PolarHBondContact O-N 3.41Å
81E88.8Confident87.8Confident117 Ų11796.9 Ų96.955%0.54747%0.469SS..Hα-helixtrans-59.8-50.3175.9-173.6179.4-179.800111.1D77 K78 V79 L83 Q84 L85D77-E81 PolarHBondContact O-N 2.94Å; K78-E81 WeakPolarHBondContact O-CB 3.41Å; K78-E81 PolarHBondContact O-N 2.93Å; V79-E81 VanDerWaalsContact C-N 3.33Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 2.77Å; E81-Q84 PolarHBondContact O-N 2.74Å; E81-L85 HydrophobicContact CG-CD1 4.13Å; E81-L85 WeakPolarHBondContact O-CG 3.37Å; E81-L85 PolarHBondContact O-N 2.86Å
82D87.1Confident86.5Confident93 Ų9398.9 Ų98.950%0.49749%0.487SS..Hα-helixtrans-57.4-43177.9-75.7-18.6000112.3K78 V79 L85 A86K78-D82 PolarHBondContact O-N 3.15Å; V79-D82 PolarHBondContact O-N 2.92Å; D82-L85 PolarHBondContact O-N 2.94Å; D82-A86 WeakPolarHBondContact O-CB 3.25Å; D82-A86 PolarHBondContact O-N 3.23Å
83L87.2Confident84.9Confident85 Ų85104 Ų10445%0.44551%0.508SS..Hα-helixtrans-66.6-35.8177.1-74174.1000112.7M1 V79 K80 E81 K87M1-L83 HydrophobicContact CE-CD1 3.94Å; M1-L83 HydrophobicContact CE-CD2 4.4Å; M1-L83 HydrophobicContact CE-CG 4.29Å; V79-L83 HydrophobicContact CG1-CD1 4.08Å; V79-L83 WeakPolarHBondContact O-CB 3.35Å; V79-L83 VanDerWaalsContact O-CG 3.29Å; V79-L83 WeakPolarHBondContact O-CG 3.41Å; V79-L83 PolarHBondContact O-N 2.92Å; K80-L83 PolarHBondContact O-N 3.4Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 2.77Å; L83-K87 WeakPolarHBondContact O-CG 3.07Å; L83-K87 PolarHBondContact O-N 2.8Å
84Q88.9Confident83.3Confident119 Ų119101.9 Ų101.956%0.55650%0.503SS*.Hα-helixtrans-69.2-45.6176.3-73.4174.811.700111K80 E81 A86 K87 M88K80-Q84 VanDerWaalsContact O-CG 3.27Å; K80-Q84 WeakPolarHBondContact O-CG 3.36Å; K80-Q84 PolarHBondContact O-N 3.41Å; E81-Q84 PolarHBondContact O-N 2.74Å; Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 2.51Å; Q84-K87 PolarHBondContact O-N 2.86Å; Q84-M88 WeakPolarHBondContact O-CG 3.24Å; Q84-M88 PolarHBondContact O-N 2.88Å
85L87.8Confident81.8Confident87 Ų87100.5 Ų100.546%0.45551%0.507SS..Hα-helixtrans-59.9-42.6175.9-69.4172.8000111.6E81 D82 K87 M88 R89E81-L85 HydrophobicContact CG-CD1 4.13Å; E81-L85 WeakPolarHBondContact O-CG 3.37Å; E81-L85 PolarHBondContact O-N 2.86Å; D82-L85 PolarHBondContact O-N 2.94Å; L85-K87 VanDerWaalsContact C-N 3.35Å; L85-K87 PolarHBondContact O-N 2.8Å; L85-M88 PolarHBondContact O-N 2.84Å; L85-R89 WeakPolarHBondContact O-CG 3.47Å; L85-R89 PolarHBondContact O-N 2.79Å
86A87.1Confident80.2Confident49 Ų49106.7 Ų106.741%0.40554%0.54SS..Hα-helixtrans-60.7-41.6175.900000112.5D82 Q84 R89 N90D82-A86 WeakPolarHBondContact O-CB 3.25Å; D82-A86 PolarHBondContact O-N 3.23Å; Q84-A86 VanDerWaalsContact C-N 3.33Å; Q84-A86 PolarHBondContact O-N 2.51Å; A86-R89 PolarHBondContact O-N 2.91Å; A86-N90 PolarHBondContact O-N 3.41Å
87K87.3Confident78.5Confident153 Ų153108.3 Ų108.367%0.66555%0.553SS**Hα-helixtrans-65.9-40.2176.6-73.5173.1-177.5179.40112.5L83 Q84 L85 R89 N90 R91L83-K87 WeakPolarHBondContact O-CG 3.07Å; L83-K87 PolarHBondContact O-N 2.8Å; Q84-K87 PolarHBondContact O-N 2.86Å; L85-K87 VanDerWaalsContact C-N 3.35Å; L85-K87 PolarHBondContact O-N 2.8Å; K87-R89 VanDerWaalsContact C-N 3.34Å; K87-N90 PolarHBondContact O-N 3.5Å; K87-R91 PolarHBondContact O-N 3.09Å
88M85.1Confident76.6Confident129 Ų129107 Ų10764%0.63556%0.562SS**Hα-helixtrans-63.5-40.8177.4-70.4-176.6177.300111.7Q84 L85 N90 R91 S92Q84-M88 WeakPolarHBondContact O-CG 3.24Å; Q84-M88 PolarHBondContact O-N 2.88Å; L85-M88 PolarHBondContact O-N 2.84Å; M88-N90 PolarHBondContact O-N 3.43Å; M88-R91 PolarHBondContact O-N 2.82Å; M88-S92 PolarHBondContact O-N 2.87Å
89R82.1Confident74.8Confident190 Ų190114.5 Ų114.572%0.71759%0.588SS**Hα-helixtrans-61.9-39176.4-71.4175.566.6178.31.3113L85 A86 K87 R91 S92 Q93L85-R89 WeakPolarHBondContact O-CG 3.47Å; L85-R89 PolarHBondContact O-N 2.79Å; A86-R89 PolarHBondContact O-N 2.91Å; K87-R89 VanDerWaalsContact C-N 3.34Å; R89-R91 VanDerWaalsContact C-N 3.31Å; R89-R91 PolarHBondContact O-N 2.83Å; R89-S92 PolarHBondContact O-OG 2.84Å; R89-Q93 PolarHBondContact O-N 3.36Å
90N77.1Confident72.6Confident117 Ų117117.3 Ų117.363%0.62662%0.621SS**Hα-helixtrans-69.1-30178.1-73.91.5000112.7A86 K87 M88 S94A86-N90 PolarHBondContact O-N 3.41Å; K87-N90 PolarHBondContact O-N 3.5Å; M88-N90 PolarHBondContact O-N 3.43Å; N90-S94 PolarHBondContact O-N 3.48Å
91R73.1Confident70.4Confident210 Ų210114.4 Ų114.479%0.79262%0.62SS**Hα-helixtrans-75.3-36.1-179.9-163.3176.4-174.3-1681.7112.8K87 M88 R89 Q93 A95K87-R91 PolarHBondContact O-N 3.09Å; M88-R91 PolarHBondContact O-N 2.82Å; R89-R91 VanDerWaalsContact C-N 3.31Å; R89-R91 PolarHBondContact O-N 2.83Å; R91-Q93 VanDerWaalsContact C-N 3.31Å; R91-A95 PolarHBondContact O-N 2.96Å
92S66.7Low68.2Low84 Ų84119.1 Ų119.159%0.58764%0.639SS**Hα-helixtrans-68.2-31.7176.456.30000112.3M88 R89M88-S92 PolarHBondContact O-N 2.87Å; R89-S92 PolarHBondContact O-OG 2.84Å
93Q60.9Low66.5Low141 Ų141121.7 Ų121.766%0.65965%0.647SS**Hα-helixtrans-73.9-32.5178.9-159.8168.72.400113.1R89 R91 A95 T97R89-Q93 PolarHBondContact O-N 3.36Å; R91-Q93 VanDerWaalsContact C-N 3.31Å; Q93-A95 VanDerWaalsContact C-N 3.33Å; Q93-A95 PolarHBondContact O-N 3.41Å; Q93-T97 PolarHBondContact O-OG1 3.17Å
94S58.3Low64.5Low85 Ų85127.7 Ų127.759%0.59466%0.664SS**Hα-helixtrans-76.3-16.8176.5-174.70000114N90 D96N90-S94 PolarHBondContact O-N 3.48Å; S94-D96 VanDerWaalsContact C-N 3.28Å
95A59.1Low62.5Low78 Ų78130.1 Ų130.165%0.64568%0.681SS**Hα-helixtrans-73.2-22.9176.200000112.6R91 Q93R91-A95 PolarHBondContact O-N 2.96Å; Q93-A95 VanDerWaalsContact C-N 3.33Å; Q93-A95 PolarHBondContact O-N 3.41Å
96D59.3Low60.5Low135 Ų135136 Ų13672%0.72270%0.703SS**Hα-helixtrans-86.6-38.4-177.8-167.8-80.4000112.3S94 G98S94-D96 VanDerWaalsContact C-N 3.28Å; D96-G98 PolarHBondContact O-N 3.46Å
97T55.3Low58.5Low116 Ų116137.2 Ų137.271%0.71271%0.713SS**Hα-helixtrans-85.3-5.4-174.98.20000115Q93Q93-T97 PolarHBondContact O-OG1 3.17Å
98G49Very low56.5Low65 Ų65142.2 Ų142.267%0.6773%0.728SS**THydrogen-bonded Turntrans-90.4-2.9177.100000115.5D96D96-G98 PolarHBondContact O-N 3.46Å
99R52Low54.4Low232 Ų232139.5 Ų139.588%0.87573%0.733SS**  trans-11750.3176.6-94.5-177.5174.3172.7-0.6112.2G101R99-G101 PolarHBondContact O-N 2.9Å; R99-G101 VanDerWaalsContact O-N 3.12Å
100G42.6Very low52.7Low75 Ų75143 Ų14377%0.77375%0.746SS**  trans-63.3103.115200000110.6
101G43.1Very low50.9Low42 Ų42141.1 Ų141.143%0.43376%0.755SS.*  trans72.990.5136.500000119.7R99R99-G101 PolarHBondContact O-N 2.9Å; R99-G101 VanDerWaalsContact O-N 3.12Å
102F43.8Very low49.4Very low217 Ų217134.8 Ų134.895%0.95276%0.755SS**  trans-121.4103.8131.7-77.3-78.5000109.2
103H50Low48.4Very low146 Ų146138.1 Ų138.168%0.67677%0.766SS**  trans-65.5139.8-179.5-69.576.8000111.3
104R46.8Very low47.8Very low212 Ų212136.2 Ų136.280%0.878%0.775SS**  trans40.985.4140.6-72.1179.5-101.6-159.6-7116.2
105N46.4Very low47.1Very low169 Ų169137 Ų13790%0.90478%0.777SS**  trans-113.267.6137.2-102.3-0.8000109.7A107N105-A107 VanDerWaalsContact C-N 3.29Å; N105-A107 PolarHBondContact O-N 3.09Å
106K44.7Very low46.5Very low210 Ų210140.2 Ų140.291%0.91378%0.784SS**  trans-85.978.2155.9-172.8155.8-176.6166.20107
107A46.2Very low45.7Very low75 Ų75141.4 Ų141.462%0.6279%0.79SS**  trans-152.695.8167.900000111.3N105N105-A107 VanDerWaalsContact C-N 3.29Å; N105-A107 PolarHBondContact O-N 3.09Å
108R44.1Very low45.2Very low258 Ų258147.1 Ų147.197%0.97480%0.799SS**  trans54.896.4137.8-66.9177.5167.1166.7-4.1118.5
109G42.3Very low44.8Very low73 Ų73147.4 Ų147.475%0.75380%0.802SS**  trans-152.285.8143.400000107.6
110R45.5Very low44.3Very low262 Ų262148.9 Ų148.999%0.98981%0.807SS**  54.294.889.2-142.7-178.7-164.6-175.63.5111.4
111G40.6Very low44Very low79 Ų79149 Ų14981%0.81481%0.809SS**  trans150.983174.400000109.8
112G41.4Very low43.9Very low76 Ų76150.5 Ų150.578%0.78482%0.824SS**  cis81.850.630.300000111.5
113N44.4Very low43.7Very low155 Ų155145.7 Ų145.783%0.82983%0.825SS**  trans-165.597.2149.7-124.2-8.6000111.2
114A49.7Very low43.3Very low101 Ų101142.5 Ų142.584%0.83583%0.831SS**  trans-121.8101.9158.700000106.5
115P43.6Very low42.9Very low101 Ų101144.6 Ų144.666%0.65684%0.839SS**  trans-88.7120.8173.332.1-25.6000108.4
116N46.2Very low42.4Very low145 Ų145140.6 Ų140.678%0.77584%0.838SS**  trans-173.587.6140-97.7-14.2000111.1R118N116-R118 PolarHBondContact O-N 2.57Å
117N41.5Very low42.1Very low160 Ų160133.9 Ų133.986%0.85683%0.828SS**  trans-15.4107.7136.1-155.336.4000114.2
118R44.8Very low41.8Very low237 Ų237135.9 Ų135.989%0.89484%0.837SS**  trans-162.3116.9156.3-105.9172.2-148.1179.25.8111.2N116N116-R118 PolarHBondContact O-N 2.57Å
119G40.8Very low41.9Very low71 Ų71130.2 Ų130.273%0.73283%0.831SS**  trans96.891.4172.100000111.8
120R41Very low41.8Very low262 Ų262132.8 Ų132.899%0.98984%0.835SS**  cis44.481.939.3-133.8-176.2-166.7-177.73.8112.6
121G38.1Very low41.3Very low78 Ų78124 Ų12480%0.80483%0.826SS**  trans176.1101.6166.500000114.4
122G40.3Very low41.1Very low74 Ų74123.8 Ų123.876%0.76382%0.823SS**  trans82.799.1157.800000115.7
123A40.1Very low41.1Very low116 Ų116126.6 Ų126.696%0.95983%0.828SS**  47.781.159.800000112.9
124G40.8Very low40.9Very low79 Ų79122.8 Ų122.881%0.81483%0.826SS**  trans-159.293175.800000111.3
125R39.1Very low40.8Very low255 Ų255130 Ų13096%0.96283%0.831SS**  trans-39.1141.4176-71.8163.6165.6169.1-5.9115.5
126G35.3Very low40.5Very low85 Ų85128.6 Ų128.688%0.87684%0.835SS**  108.4122.8126.600000116.2
127G39.2Very low40.1Very low69 Ų69125.8 Ų125.871%0.71184%0.84SS**  trans141.44915800000116V129G127-V129 PolarHBondContact O-N 3.23Å
128S38.3Very low40.1Very low117 Ų117121.8 Ų121.882%0.81884%0.836SS**  trans-62.4102.4159.7-53.90000109.1
129V47.1Very low40.1Very low139 Ų139120.6 Ų120.684%0.84284%0.838SS**  trans-120.585.6156.8-87.20000108.7G127G127-V129 PolarHBondContact O-N 3.23Å
130P40.6Very low40.5Very low127 Ų127129.7 Ų129.783%0.82585%0.85SS**  trans-91.499.8164.631.7-21000107.6
131G34.7Very low40.8Very low78 Ų78120.3 Ų120.380%0.80484%0.836SS**  trans164.695173.900000115.2
132G37.1Very low41.3Very low74 Ų74130.3 Ų130.376%0.76386%0.857SS**  trans-171.288.3162.700000110.9
133P39.8Very low41.4Very low135 Ų135133.2 Ų133.288%0.87786%0.862SS**  trans-86.4132.4170.732.8-27.2000109.7
134G40.1Very low41.4Very low76 Ų76134.1 Ų134.178%0.78486%0.857SS**  trans149.1132.9172.400000109.4
135R48.2Very low41.5Very low253 Ų253137.1 Ų137.196%0.95586%0.859SS**  cis-166.916025.9-165.7173.3-178.5179.3-0.2106.9
136G36.9Very low41.6Very low71 Ų71130.2 Ų130.273%0.73285%0.853SS**  trans-46.8155.7-173.600000114.6
137G37.5Very low42Very low85 Ų85133 Ų13388%0.87685%0.851SS**  97.312454.200000107.8
138G42.3Very low42.2Very low76 Ų76137.3 Ų137.378%0.78486%0.861SS**  trans172.189.4-179.400000112.4
139F45.5Very low42.5Very low213 Ų213138.7 Ų138.793%0.93486%0.864SS**  trans-55.5141.2179.8-79.2-113.3000113.4
140R48.8Very low42.1Very low261 Ų261138.7 Ų138.799%0.98587%0.865SS**  trans-119.892.3156.4-171.7156.3177165.4-3.7107.9
141G46.7Very low42.2Very low66 Ų66139.7 Ų139.768%0.6887%0.869SS**  trans-122.3128.6177.200000110.2
142K49.1Very low42.9Very low288 Ų288145.3 Ų145.3100%1.25288%0.875SS**  trans67.90175.9-68.2-173.4172.4-179.50116.7

Retrieved 142 of 142 residues in 244.3 ms (Link to these results)

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