A0A3Q0KLB9_SCHMA Loading...

DNA-directed RNA polymerase II subunit RPB7

AlphaFold DB , UniProt , Accession A0A3Q0KLB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 175 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
1M93.2Very high96.1Very high95 Ų9577.7 Ų77.747%0.46835%0.354SS..  0145.90-175.359.373.900110.9Y3 R78 F80 E83M1-Y3 HydrophobicContact CB-CE2 3.69Å; M1-Y3 HydrophobicContact CG-CE1 4.26Å; M1-Y3 HydrophobicContact CG-CE2 3.8Å; M1-R78 PolarHBondContact N-O 2.71Å; M1-R78 PolarHBondContact O-N 2.94Å; M1-F80 HydrophobicContact CB-CD2 4.4Å; M1-F80 HydrophobicContact CB-CE2 4.1Å; M1-E83 WeakPolarHBondContact CA-OE1 3.17Å; M1-E83 WeakPolarHBondContact CB-OE1 3.46Å; M1-E83 PolarHBondContact N-OE1 2.69Å; M1-E83 PolarHBondContact N-OE2 3.24Å
2F96.1Very high95.9Very high124 Ų12479.3 Ų79.354%0.54437%0.367SS..EExtended strand (participates in β ladder)trans-90.3140.5174.4-67.6-85.9000111.6I46 I75 V76 Y77F2-I46 HydrophobicContact CE1-CG1 4.26Å; F2-I75 HydrophobicContact CD1-CG2 4.21Å; F2-V76 CarbonylContact C-O 3.55Å; F2-V76 WeakPolarHBondContact CA-O 3.25Å; F2-Y77 AromaticContact CD1-CD2 3.85Å; F2-Y77 HydrophobicContact CD1-CD2 3.85Å; F2-Y77 HydrophobicContact CD1-CG 4.3Å; F2-Y77 AromaticContact CD2-CD2 3.92Å; F2-Y77 HydrophobicContact CD2-CD2 3.92Å; F2-Y77 HydrophobicContact CD2-CE2 4.32Å; F2-Y77 AromaticContact CE1-CD2 3.67Å; F2-Y77 HydrophobicContact CE1-CD2 3.67Å; F2-Y77 AromaticContact CE1-CG 3.96Å; F2-Y77 HydrophobicContact CE1-CG 3.96Å; F2-Y77 AromaticContact CE2-CD2 3.74Å; F2-Y77 HydrophobicContact CE2-CD2 3.74Å; F2-Y77 AromaticContact CE2-CE2 3.97Å; F2-Y77 HydrophobicContact CE2-CE2 3.97Å; F2-Y77 AromaticContact CG-CD2 3.97Å; F2-Y77 HydrophobicContact CG-CD2 3.97Å; F2-Y77 AromaticContact CZ-CD2 3.61Å; F2-Y77 HydrophobicContact CZ-CD2 3.61Å; F2-Y77 HydrophobicContact CZ-CE2 4.12Å; F2-Y77 HydrophobicContact CZ-CG 4.18Å
3Y97Very high95.7Very high96 Ų9673.7 Ų73.738%0.37634%0.341SS..EExtended strand (participates in β ladder)trans-133.7149.5176.9-61.2-87.8000111.5M1 I75 V76 R78 F80M1-Y3 HydrophobicContact CB-CE2 3.69Å; M1-Y3 HydrophobicContact CG-CE1 4.26Å; M1-Y3 HydrophobicContact CG-CE2 3.8Å; Y3-I75 CarbonylContact O-C 3.59Å; Y3-I75 WeakPolarHBondContact O-CA 3.48Å; Y3-V76 PolarHBondContact N-O 2.69Å; Y3-V76 PolarHBondContact O-N 2.87Å; Y3-R78 HydrophobicContact CD2-CB 4.25Å; Y3-R78 HydrophobicContact CE2-CB 4.16Å; Y3-F80 AromaticContact CE2-CE2 3.59Å; Y3-F80 HydrophobicContact CE2-CE2 3.59Å; Y3-F80 AromaticContact CE2-CZ 3.82Å; Y3-F80 HydrophobicContact CE2-CZ 3.82Å; Y3-F80 AromaticContact CZ-CE2 3.74Å; Y3-F80 AromaticContact CZ-CZ 4Å; Y3-F80 WeakPolarHBondContact OH-CE2 3.5Å
4H97.4Very high95.5Very high104 Ų10474.1 Ų74.148%0.48134%0.343SS..EExtended strand (participates in β ladder)trans-106.4104.6167.4-173.8-146.6000109.1T49H4-T49 PolarHBondContact NE2-OG1 3.35Å
5I96.8Very high95.3Very high47 Ų4772.7 Ų72.724%0.24134%0.343CS..EExtended strand (participates in β ladder)trans-126.5159.8-172.764169.9000112.1L7 Y42 R73 A74 V76I5-L7 HydrophobicContact CD1-CD1 4.39Å; I5-L7 HydrophobicContact CD1-CD2 3.72Å; I5-L7 HydrophobicContact CD1-CG 4.07Å; I5-L7 HydrophobicContact CG1-CD1 4.49Å; I5-L7 HydrophobicContact CG1-CD2 4.29Å; I5-L7 HydrophobicContact CG1-CG 4.12Å; I5-Y42 HydrophobicContact CD1-CD1 4.01Å; I5-R73 CarbonylContact O-C 3.6Å; I5-R73 VanDerWaalsContact O-CA 3.26Å; I5-R73 WeakPolarHBondContact O-CA 3.46Å; I5-A74 PolarHBondContact N-O 3.11Å; I5-A74 PolarHBondContact O-N 2.85Å; I5-V76 HydrophobicContact CD1-CG1 4.06Å; I5-V76 HydrophobicContact CD1-CG2 3.72Å; I5-V76 HydrophobicContact CG1-CG1 4.03Å; I5-V76 HydrophobicContact CG1-CG2 3.85Å
6K97.2Very high95.1Very high113 Ų11378.8 Ų78.849%0.49137%0.368SS..EExtended strand (participates in β ladder)trans-90.1128.9172.9-178.5172.9176.8153.70109.6E52 V71 Y72K6-E52 WeakPolarHBondContact CD-OE2 3.26Å; K6-E52 WeakPolarHBondContact CE-OE2 3.35Å; K6-E52 IonicContact NZ-OE2 2.71Å; K6-E52 PolarHBondContact NZ-OE2 3.48Å; K6-V71 HydrophobicContact CD-CG1 4.21Å; K6-V71 HydrophobicContact CG-CG1 4.08Å; K6-Y72 WeakPolarHBondContact CA-O 3.45Å
7L96.9Very high94.8Very high8 Ų881.8 Ų81.84%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-128.4162.4179.9-67177.1000110.6I5 Y42 I45 Y72 A74 V76I5-L7 HydrophobicContact CD1-CD1 4.39Å; I5-L7 HydrophobicContact CD1-CD2 3.72Å; I5-L7 HydrophobicContact CD1-CG 4.07Å; I5-L7 HydrophobicContact CG1-CD1 4.49Å; I5-L7 HydrophobicContact CG1-CD2 4.29Å; I5-L7 HydrophobicContact CG1-CG 4.12Å; L7-Y42 HydrophobicContact CD2-CD1 3.72Å; L7-Y42 HydrophobicContact CD2-CD2 3.9Å; L7-Y42 HydrophobicContact CD2-CE1 3.79Å; L7-Y42 HydrophobicContact CD2-CE2 3.96Å; L7-Y42 HydrophobicContact CD2-CG 3.78Å; L7-I45 HydrophobicContact CD1-CD1 4.04Å; L7-I45 HydrophobicContact CD1-CG1 4.45Å; L7-Y72 HydrophobicContact CB-CD1 4.46Å; L7-Y72 HydrophobicContact CB-CE1 3.87Å; L7-Y72 HydrophobicContact CB-CE2 4.05Å; L7-Y72 HydrophobicContact CD1-CE2 4.23Å; L7-Y72 PolarHBondContact N-O 2.73Å; L7-Y72 PolarHBondContact O-N 3.08Å; L7-Y72 VanDerWaalsContact O-O 3.14Å; L7-A74 HydrophobicContact CD1-CB 4.25Å; L7-V76 HydrophobicContact CD1-CG1 4.16Å
8E96Very high94.5Very high103 Ų10382.2 Ų82.248%0.48138%0.377SS..EExtended strand (participates in β ladder)trans-127.5138.1175.4-57.7-170.4175.600109.5R69 I70 V71E8-R69 IonicContact OE1-NH2 3.61Å; E8-R69 IonicContact OE2-CZ 3.2Å; E8-R69 IonicContact OE2-NE 2.99Å; E8-R69 PolarHBondContact OE2-NE 3.37Å; E8-R69 IonicContact OE2-NH2 2.63Å; E8-R69 PolarHBondContact OE2-NH2 3.26Å; E8-I70 VanDerWaalsContact CA-O 3.32Å; E8-I70 WeakPolarHBondContact CA-O 3.39Å; E8-V71 HydrophobicContact CG-CG1 4.49Å; E8-V71 HydrophobicContact CG-CG2 4.16Å
9H96Very high94.1Very high61 Ų6179.8 Ų79.828%0.28238%0.377SS..EExtended strand (participates in β ladder)trans-143.5145.8177.6-171.472.5000110.4L30 V34 I70 Y72H9-L30 HydrophobicContact CB-CD1 4.01Å; H9-V34 HydrophobicContact CB-CG1 4.12Å; H9-I70 PolarHBondContact N-O 3.42Å; H9-I70 PolarHBondContact O-N 2.68Å; H9-Y72 HydrophobicContact CB-CE1 3.66Å
10E95.5Very high93.9Very high104 Ų10482.8 Ų82.849%0.48640%0.403SS..EExtended strand (participates in β ladder)trans-108.3123.4-179.4-59.5-168.8133.100109.8Q67 Y68 R69E10-Q67 HydrophobicContact CB-CG 4.37Å; E10-Q67 PolarHBondContact OE1-NE2 3.42Å; E10-Q67 PolarHBondContact OE2-NE2 2.63Å; E10-Y68 WeakPolarHBondContact CA-O 3.29Å; E10-R69 HydrophobicContact CG-CB 4.49Å; E10-R69 HydrophobicContact CG-CG 4.45Å
11I94.8Very high93.8Very high0 Ų082.8 Ų82.80%041%0.405CS..EExtended strand (participates in β ladder)trans-105.4130.8180-61.8-171.3000109.8V26 K29 L30 Q67 Y68 I70I11-V26 HydrophobicContact CD1-CG1 4.48Å; I11-V26 WeakPolarHBondContact CD1-O 3.47Å; I11-K29 HydrophobicContact CD1-CB 4.2Å; I11-K29 HydrophobicContact CD1-CG 4.22Å; I11-K29 HydrophobicContact CG2-CB 4.12Å; I11-K29 HydrophobicContact CG2-CG 3.44Å; I11-K29 VanDerWaalsContact CG2-CG 3.44Å; I11-L30 HydrophobicContact CD1-CB 3.59Å; I11-L30 HydrophobicContact CD1-CD1 4.04Å; I11-L30 HydrophobicContact CD1-CG 4.43Å; I11-L30 VanDerWaalsContact CD1-N 3.26Å; I11-Q67 CarbonylContact O-C 3.47Å; I11-Q67 VanDerWaalsContact O-CA 3.3Å; I11-Q67 WeakPolarHBondContact O-CA 3.49Å; I11-Y68 PolarHBondContact N-O 3.02Å; I11-Y68 PolarHBondContact O-N 3.31Å; I11-I70 HydrophobicContact CB-CD1 4.36Å; I11-I70 HydrophobicContact CD1-CD1 3.33Å; I11-I70 HydrophobicContact CG1-CD1 3.79Å
12L93.5Very high93.7Very high97 Ų9780.9 Ų80.951%0.50840%0.397SS..EExtended strand (participates in β ladder)trans-96.1115.7169.5-78.3146.7000109.6Q60 F65 Q67L12-Q60 HydrophobicContact CD2-CG 4.18Å; L12-F65 HydrophobicContact CB-CD1 4.45Å; L12-F65 HydrophobicContact CD2-CB 4.18Å; L12-Q67 HydrophobicContact CD2-CB 4.45Å
13L93.9Very high93.4Very high6 Ų678.9 Ų78.93%0.03140%0.395CS..EExtended strand (participates in β ladder)trans-110.9128.4-179.6-165.768000111.1Y17 F18 L22 T25 V26 F65 V66 Y68L13-Y17 HydrophobicContact CD1-CD2 4.22Å; L13-Y17 HydrophobicContact CD1-CG 4.33Å; L13-F18 HydrophobicContact CB-CE1 4.18Å; L13-F18 HydrophobicContact CD2-CD1 3.88Å; L13-F18 HydrophobicContact CD2-CE1 3.75Å; L13-F18 HydrophobicContact CG-CD1 4.31Å; L13-F18 HydrophobicContact CG-CE1 3.9Å; L13-L22 HydrophobicContact CD2-CD1 3.48Å; L13-L22 VanDerWaalsContact CD2-CD1 3.48Å; L13-T25 HydrophobicContact CD1-CG2 4.1Å; L13-V26 HydrophobicContact CD2-CG2 3.94Å; L13-F65 WeakPolarHBondContact O-CA 3.42Å; L13-V66 PolarHBondContact N-O 3.06Å; L13-V66 PolarHBondContact O-N 3.22Å; L13-Y68 HydrophobicContact CB-CD2 4.34Å; L13-Y68 HydrophobicContact CB-CE2 4.17Å; L13-Y68 HydrophobicContact CD2-CE2 4.13Å
14H93.1Very high93.3Very high80 Ų8079.7 Ų79.737%0.3740%0.402SS..  trans-77.9141.8175.9-176.4-92.9000111K16 Y17 F65H14-K16 WeakPolarHBondContact ND1-CB 3.38Å; H14-K16 PolarHBondContact ND1-N 2.84Å; H14-K16 VanDerWaalsContact ND1-N 3.15Å; H14-K16 PolarHBondContact O-N 2.99Å; H14-Y17 HydrophobicContact CB-CD2 3.85Å; H14-Y17 HydrophobicContact CB-CE2 4.01Å; H14-Y17 PolarHBondContact O-N 3.37Å; H14-F65 HydrophobicContact CB-CD1 4.11Å; H14-F65 HydrophobicContact CB-CE1 3.65Å; H14-F65 HydrophobicContact CB-CZ 4.15Å; H14-F65 AromaticContact CD2-CE1 3.97Å; H14-F65 AromaticContact CD2-CE2 3.85Å; H14-F65 AromaticContact CD2-CZ 3.55Å
15P91.7Very high93.1Very high52 Ų5277 Ų7734%0.33839%0.392SS..G310 helixtrans-55.2-27.2-177.8-31.438.1000116Y17 F18 G64P15-Y17 PolarHBondContact O-N 2.97Å; P15-F18 HydrophobicContact CB-CD2 4.22Å; P15-F18 HydrophobicContact CB-CE2 4.07Å; P15-F18 HydrophobicContact CB-CZ 4.39Å; P15-F18 HydrophobicContact CG-CE2 4.2Å; P15-F18 HydrophobicContact CG-CZ 4.27Å; P15-F18 WeakPolarHBondContact O-CB 3.36Å; P15-F18 WeakPolarHBondContact O-CG 3.42Å; P15-F18 PolarHBondContact O-N 2.82Å; P15-G64 WeakPolarHBondContact CD-O 3.42Å; P15-G64 WeakPolarHBondContact CG-O 3.15Å
16K92Very high93Very high170 Ų17074.8 Ų74.874%0.73938%0.381SS*.G310 helixtrans-54.3-27174.1-174.7178.4177.4-177.90112.7H14H14-K16 WeakPolarHBondContact ND1-CB 3.38Å; H14-K16 PolarHBondContact ND1-N 2.84Å; H14-K16 VanDerWaalsContact ND1-N 3.15Å; H14-K16 PolarHBondContact O-N 2.99Å
17Y90.4Very high92.8Very high130 Ų13073.6 Ų73.651%0.5138%0.376SS..G310 helixtrans-959-179-57.2-69.7000113.4L13 H14 P15 G19L13-Y17 HydrophobicContact CD1-CD2 4.22Å; L13-Y17 HydrophobicContact CD1-CG 4.33Å; H14-Y17 HydrophobicContact CB-CD2 3.85Å; H14-Y17 HydrophobicContact CB-CE2 4.01Å; H14-Y17 PolarHBondContact O-N 3.37Å; P15-Y17 PolarHBondContact O-N 2.97Å; Y17-G19 PolarHBondContact O-N 2.99Å
18F89Confident92.7Very high90 Ų9077.6 Ų77.640%0.39540%0.401SS..  trans-80.265.9175.9-63-1.5000110.1L13 P15 L22 V66L13-F18 HydrophobicContact CB-CE1 4.18Å; L13-F18 HydrophobicContact CD2-CD1 3.88Å; L13-F18 HydrophobicContact CD2-CE1 3.75Å; L13-F18 HydrophobicContact CG-CD1 4.31Å; L13-F18 HydrophobicContact CG-CE1 3.9Å; P15-F18 HydrophobicContact CB-CD2 4.22Å; P15-F18 HydrophobicContact CB-CE2 4.07Å; P15-F18 HydrophobicContact CB-CZ 4.39Å; P15-F18 HydrophobicContact CG-CE2 4.2Å; P15-F18 HydrophobicContact CG-CZ 4.27Å; P15-F18 WeakPolarHBondContact O-CB 3.36Å; P15-F18 WeakPolarHBondContact O-CG 3.42Å; P15-F18 PolarHBondContact O-N 2.82Å; F18-L22 HydrophobicContact CD1-CD1 3.94Å; F18-V66 HydrophobicContact CE1-CB 4.36Å; F18-V66 HydrophobicContact CE1-CG2 4.41Å; F18-V66 HydrophobicContact CE2-CG2 3.81Å; F18-V66 HydrophobicContact CZ-CB 3.71Å; F18-V66 HydrophobicContact CZ-CG2 3.36Å
19G87.8Confident92.6Very high36 Ų3676.3 Ų76.337%0.37139%0.394SS..SBendtrans-88.8179.7175.200000112.9Y17 N21 L22Y17-G19 PolarHBondContact O-N 2.99Å; G19-N21 PolarHBondContact O-N 2.92Å; G19-N21 VanDerWaalsContact O-N 3.11Å; G19-L22 PolarHBondContact O-N 2.97Å
20P89.1Confident92.6Very high139 Ų13973.4 Ų73.490%0.90338%0.381SS*.THydrogen-bonded Turntrans-58.3-24.9176.924.5-34.2000113
21N91.6Very high92.6Very high84 Ų8471.9 Ų71.945%0.44937%0.372SS..THydrogen-bonded Turntrans-105.142.3-178.6-63.47.8000112.1G19 T23 E24 T25G19-N21 PolarHBondContact O-N 2.92Å; G19-N21 VanDerWaalsContact O-N 3.11Å; N21-T23 VanDerWaalsContact C-N 3.26Å; N21-T23 PolarHBondContact O-N 2.84Å; N21-E24 HydrophobicContact CB-CB 4.16Å; N21-E24 HydrophobicContact CB-CG 4.33Å; N21-E24 WeakPolarHBondContact CB-OE2 3.31Å; N21-E24 PolarHBondContact ND2-OE2 2.78Å; N21-E24 PolarHBondContact O-N 2.88Å; N21-T25 PolarHBondContact O-N 3.14Å; N21-T25 PolarHBondContact O-OG1 2.84Å; N21-T25 VanDerWaalsContact O-OG1 3.13Å
22L90.9Very high92.7Very high55 Ų5576.2 Ų76.229%0.28840%0.403SS..Hα-helixtrans-48.7-47.9-178.9177.764.5000112.3L13 F18 G19 E24 T25 V26L13-L22 HydrophobicContact CD2-CD1 3.48Å; L13-L22 VanDerWaalsContact CD2-CD1 3.48Å; F18-L22 HydrophobicContact CD1-CD1 3.94Å; G19-L22 PolarHBondContact O-N 2.97Å; L22-E24 PolarHBondContact O-N 2.85Å; L22-T25 PolarHBondContact O-N 2.97Å; L22-V26 HydrophobicContact CD1-CG2 4.38Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.07Å
23T91.2Very high92.7Very high82 Ų8274 Ų7450%0.50339%0.391SS..Hα-helixtrans-60.5-45.2180-47.90000111.7N21 T25 V26 K27 I54N21-T23 VanDerWaalsContact C-N 3.26Å; N21-T23 PolarHBondContact O-N 2.84Å; T23-T25 VanDerWaalsContact C-N 3.32Å; T23-T25 PolarHBondContact O-N 2.87Å; T23-V26 PolarHBondContact O-N 2.86Å; T23-K27 VanDerWaalsContact O-CG 3.3Å; T23-K27 WeakPolarHBondContact O-CG 3.35Å; T23-K27 PolarHBondContact O-N 3.07Å; T23-I54 HydrophobicContact CG2-CD1 3.69Å
24E93.7Very high92.8Very high113 Ų11373.8 Ų73.853%0.52839%0.39SS..Hα-helixtrans-64.7-40.2178.3-62.4179.3166.600111.1N21 L22 V26 K27 T28N21-E24 HydrophobicContact CB-CB 4.16Å; N21-E24 HydrophobicContact CB-CG 4.33Å; N21-E24 WeakPolarHBondContact CB-OE2 3.31Å; N21-E24 PolarHBondContact ND2-OE2 2.78Å; N21-E24 PolarHBondContact O-N 2.88Å; L22-E24 PolarHBondContact O-N 2.85Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.84Å; E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 3.44Å; E24-K27 VanDerWaalsContact O-N 3.14Å; E24-T28 PolarHBondContact O-N 3.37Å; E24-T28 PolarHBondContact O-OG1 2.81Å; E24-T28 VanDerWaalsContact O-OG1 3.07Å
25T94.1Very high92.9Very high46 Ų4673.9 Ų73.928%0.28239%0.391SS..Hα-helixtrans-62.9-41.2177.6-57.50000111.3L13 N21 L22 T23 T28 K29L13-T25 HydrophobicContact CD1-CG2 4.1Å; N21-T25 PolarHBondContact O-N 3.14Å; N21-T25 PolarHBondContact O-OG1 2.84Å; N21-T25 VanDerWaalsContact O-OG1 3.13Å; L22-T25 PolarHBondContact O-N 2.97Å; T23-T25 VanDerWaalsContact C-N 3.32Å; T23-T25 PolarHBondContact O-N 2.87Å; T25-T28 PolarHBondContact O-N 3.47Å; T25-K29 VanDerWaalsContact O-CB 3.28Å; T25-K29 WeakPolarHBondContact O-CB 3.4Å; T25-K29 PolarHBondContact O-N 2.93Å
26V93.7Very high93Very high2 Ų274.6 Ų74.61%0.01241%0.408CS..Hα-helixtrans-62.8-41.6174171.70000111.1I11 L13 L22 T23 E24 K29 L30 I54 Y68 I70I11-V26 HydrophobicContact CD1-CG1 4.48Å; I11-V26 WeakPolarHBondContact CD1-O 3.47Å; L13-V26 HydrophobicContact CD2-CG2 3.94Å; L22-V26 HydrophobicContact CD1-CG2 4.38Å; L22-V26 VanDerWaalsContact O-CG2 3.31Å; L22-V26 WeakPolarHBondContact O-CG2 3.3Å; L22-V26 PolarHBondContact O-N 3.07Å; T23-V26 PolarHBondContact O-N 2.86Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 2.84Å; V26-K29 PolarHBondContact O-N 3.42Å; V26-L30 PolarHBondContact O-N 2.95Å; V26-I54 HydrophobicContact CG1-CG2 4.36Å; V26-Y68 HydrophobicContact CG2-CD2 4.03Å; V26-Y68 HydrophobicContact CG2-CE2 4.13Å; V26-Y68 HydrophobicContact CG2-CG 4.41Å; V26-I70 HydrophobicContact CG1-CD1 3.33Å; V26-I70 HydrophobicContact CG1-CG1 4.29Å
27K93.9Very high93.2Very high87 Ų8769.2 Ų69.238%0.37839%0.389SS..Hα-helixtrans-63.5-48.8175.7-66.6-175.6178.41790112.1T23 E24 K29 L30 F31 I51T23-K27 VanDerWaalsContact O-CG 3.3Å; T23-K27 WeakPolarHBondContact O-CG 3.35Å; T23-K27 PolarHBondContact O-N 3.07Å; E24-K27 WeakPolarHBondContact O-CB 3.46Å; E24-K27 PolarHBondContact O-N 3.44Å; E24-K27 VanDerWaalsContact O-N 3.14Å; K27-K29 VanDerWaalsContact C-N 3.25Å; K27-K29 PolarHBondContact O-N 3.32Å; K27-L30 VanDerWaalsContact O-CB 3.3Å; K27-L30 WeakPolarHBondContact O-CB 3.32Å; K27-L30 PolarHBondContact O-N 3.22Å; K27-L30 VanDerWaalsContact O-N 3.08Å; K27-F31 HydrophobicContact CB-CE2 4.19Å; K27-F31 HydrophobicContact CB-CZ 4.39Å; K27-F31 VanDerWaalsContact O-CD2 3.27Å; K27-F31 WeakPolarHBondContact O-CD2 3.34Å; K27-F31 WeakPolarHBondContact O-CG 3.47Å; K27-F31 PolarHBondContact O-N 3.11Å; K27-I51 HydrophobicContact CB-CD1 3.93Å; K27-I51 HydrophobicContact CD-CD1 3.98Å; K27-I51 HydrophobicContact CG-CD1 3.51Å
28T94.3Very high93.3Very high92 Ų9263.8 Ų63.856%0.56437%0.37SS*.Hα-helixtrans-60.3-39.7177.9-57.10000111.2E24 T25 L30 F31 S32E24-T28 PolarHBondContact O-N 3.37Å; E24-T28 PolarHBondContact O-OG1 2.81Å; E24-T28 VanDerWaalsContact O-OG1 3.07Å; T25-T28 PolarHBondContact O-N 3.47Å; T28-L30 VanDerWaalsContact C-N 3.34Å; T28-F31 PolarHBondContact O-N 2.88Å; T28-S32 PolarHBondContact O-N 2.82Å; T28-S32 VanDerWaalsContact O-N 3.08Å
29K94.8Very high93.4Very high77 Ų7761.4 Ų61.434%0.33537%0.365SS..Hα-helixtrans-64.7-39.6175.6-172.654.1173.6153.40111.7I11 T25 V26 K27 S32 D33I11-K29 HydrophobicContact CD1-CB 4.2Å; I11-K29 HydrophobicContact CD1-CG 4.22Å; I11-K29 HydrophobicContact CG2-CB 4.12Å; I11-K29 HydrophobicContact CG2-CG 3.44Å; I11-K29 VanDerWaalsContact CG2-CG 3.44Å; T25-K29 VanDerWaalsContact O-CB 3.28Å; T25-K29 WeakPolarHBondContact O-CB 3.4Å; T25-K29 PolarHBondContact O-N 2.93Å; V26-K29 PolarHBondContact O-N 3.42Å; K27-K29 VanDerWaalsContact C-N 3.25Å; K27-K29 PolarHBondContact O-N 3.32Å; K29-S32 PolarHBondContact O-N 3.23Å; K29-D33 WeakPolarHBondContact CD-OD2 3Å; K29-D33 WeakPolarHBondContact CE-OD1 3.46Å; K29-D33 WeakPolarHBondContact CE-OD2 3.4Å; K29-D33 IonicContact NZ-OD1 2.78Å; K29-D33 PolarHBondContact NZ-OD1 3.02Å; K29-D33 IonicContact NZ-OD2 2.78Å; K29-D33 PolarHBondContact NZ-OD2 3.48Å; K29-D33 WeakPolarHBondContact O-CB 3.3Å; K29-D33 VanDerWaalsContact O-CG 3.26Å; K29-D33 PolarHBondContact O-N 2.85Å
30L95.8Very high93.4Very high0 Ų061.3 Ų61.30%036%0.364CS..Hα-helixtrans-58.1-52.7174.5-177.468.7000110.8H9 I11 V26 K27 T28 S32 D33 V34 V48 I51 I70 Y72H9-L30 HydrophobicContact CB-CD1 4.01Å; I11-L30 HydrophobicContact CD1-CB 3.59Å; I11-L30 HydrophobicContact CD1-CD1 4.04Å; I11-L30 HydrophobicContact CD1-CG 4.43Å; I11-L30 VanDerWaalsContact CD1-N 3.26Å; V26-L30 PolarHBondContact O-N 2.95Å; K27-L30 VanDerWaalsContact O-CB 3.3Å; K27-L30 WeakPolarHBondContact O-CB 3.32Å; K27-L30 PolarHBondContact O-N 3.22Å; K27-L30 VanDerWaalsContact O-N 3.08Å; T28-L30 VanDerWaalsContact C-N 3.34Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 3.25Å; L30-D33 PolarHBondContact O-N 2.99Å; L30-D33 VanDerWaalsContact O-N 3.11Å; L30-V34 HydrophobicContact CD1-CG1 3.89Å; L30-V34 HydrophobicContact CD1-CG2 4.41Å; L30-V34 HydrophobicContact CG-CG2 4.34Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.26Å; L30-V34 PolarHBondContact O-N 3.46Å; L30-V48 HydrophobicContact CD2-CG1 4.43Å; L30-I51 HydrophobicContact CD2-CD1 3.78Å; L30-I51 HydrophobicContact CD2-CG1 3.87Å; L30-I70 HydrophobicContact CB-CD1 4.43Å; L30-I70 HydrophobicContact CD1-CD1 4.39Å; L30-I70 HydrophobicContact CD2-CG2 3.96Å; L30-Y72 HydrophobicContact CD1-CD1 4.08Å; L30-Y72 HydrophobicContact CD1-CE1 4.02Å; L30-Y72 HydrophobicContact CD2-CD1 4.13Å; L30-Y72 HydrophobicContact CD2-CG 4.01Å
31F96.3Very high93.4Very high71 Ų7161.8 Ų61.831%0.31135%0.352SS..Hα-helixtrans-56.5-47.9-178.5-56.8-37.9000110.9K27 T28 D33 E35 V48 I51K27-F31 HydrophobicContact CB-CE2 4.19Å; K27-F31 HydrophobicContact CB-CZ 4.39Å; K27-F31 VanDerWaalsContact O-CD2 3.27Å; K27-F31 WeakPolarHBondContact O-CD2 3.34Å; K27-F31 WeakPolarHBondContact O-CG 3.47Å; K27-F31 PolarHBondContact O-N 3.11Å; T28-F31 PolarHBondContact O-N 2.88Å; F31-D33 VanDerWaalsContact C-N 3.29Å; F31-D33 PolarHBondContact O-N 2.8Å; F31-E35 VanDerWaalsContact O-CB 3.3Å; F31-E35 WeakPolarHBondContact O-CB 3.3Å; F31-E35 WeakPolarHBondContact O-CG 3.28Å; F31-E35 PolarHBondContact O-N 2.82Å; F31-V48 HydrophobicContact CD1-CB 3.78Å; F31-V48 HydrophobicContact CD1-CG1 4.16Å; F31-V48 HydrophobicContact CD1-CG2 4.05Å; F31-V48 HydrophobicContact CE1-CB 3.77Å; F31-V48 HydrophobicContact CE1-CG1 3.71Å; F31-V48 HydrophobicContact CE1-CG2 4.45Å; F31-I51 HydrophobicContact CE1-CD1 4.02Å; F31-I51 HydrophobicContact CZ-CD1 4.02Å
32S95.4Very high93.5Very high92 Ų9262 Ų6264%0.64335%0.347SS*.Hα-helixtrans-63.3-30.5178.6-1770000114.3T28 K29 L30T28-S32 PolarHBondContact O-N 2.82Å; T28-S32 VanDerWaalsContact O-N 3.08Å; K29-S32 PolarHBondContact O-N 3.23Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 3.25Å
33D94.6Very high93.7Very high50 Ų5059.4 Ų59.427%0.26733%0.333SS..Hα-helixtrans-88.7-26.1-174.5-73.6-9.5000112.5K29 L30 F31 T37K29-D33 WeakPolarHBondContact CD-OD2 3Å; K29-D33 WeakPolarHBondContact CE-OD1 3.46Å; K29-D33 WeakPolarHBondContact CE-OD2 3.4Å; K29-D33 IonicContact NZ-OD1 2.78Å; K29-D33 PolarHBondContact NZ-OD1 3.02Å; K29-D33 IonicContact NZ-OD2 2.78Å; K29-D33 PolarHBondContact NZ-OD2 3.48Å; K29-D33 WeakPolarHBondContact O-CB 3.3Å; K29-D33 VanDerWaalsContact O-CG 3.26Å; K29-D33 PolarHBondContact O-N 2.85Å; L30-D33 PolarHBondContact O-N 2.99Å; L30-D33 VanDerWaalsContact O-N 3.11Å; F31-D33 VanDerWaalsContact C-N 3.29Å; F31-D33 PolarHBondContact O-N 2.8Å; D33-T37 VanDerWaalsContact O-CG2 3.26Å; D33-T37 WeakPolarHBondContact O-CG2 3.47Å
34V95.7Very high93.9Very high2 Ų256.1 Ų56.11%0.01231%0.312CS..Hα-helixtrans-113.5-32.8-172.5-500000114.4H9 L30 T37 I45 V48 Y72H9-V34 HydrophobicContact CB-CG1 4.12Å; L30-V34 HydrophobicContact CD1-CG1 3.89Å; L30-V34 HydrophobicContact CD1-CG2 4.41Å; L30-V34 HydrophobicContact CG-CG2 4.34Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.26Å; L30-V34 PolarHBondContact O-N 3.46Å; V34-T37 WeakPolarHBondContact O-CB 3.45Å; V34-T37 PolarHBondContact O-N 2.86Å; V34-T37 PolarHBondContact O-OG1 2.86Å; V34-I45 HydrophobicContact CB-CD1 4.35Å; V34-I45 HydrophobicContact CG2-CG2 4.45Å; V34-I45 WeakPolarHBondContact O-CB 3.06Å; V34-I45 WeakPolarHBondContact O-CG2 3.39Å; V34-V48 HydrophobicContact CG2-CG2 3.43Å; V34-V48 VanDerWaalsContact CG2-CG2 3.43Å; V34-Y72 HydrophobicContact CG2-CE2 4.02Å
35E95.5Very high94Very high81 Ų8151.2 Ų51.238%0.37929%0.289SS..THydrogen-bonded Turntrans-70.1134-177.6-63.6-172.5152.500110.8F31 T37 V48F31-E35 VanDerWaalsContact O-CB 3.3Å; F31-E35 WeakPolarHBondContact O-CB 3.3Å; F31-E35 WeakPolarHBondContact O-CG 3.28Å; F31-E35 PolarHBondContact O-N 2.82Å; E35-T37 PolarHBondContact O-N 3.07Å; E35-V48 HydrophobicContact CG-CG2 3.97Å; E35-V48 PolarHBondContact OE1-N 3.4Å
36G93.9Very high94.1Very high67 Ų6752.4 Ų52.469%0.69129%0.293SS*.THydrogen-bonded Turntrans78.7-5.6-174.700000114.7I45G36-I45 WeakPolarHBondContact CA-O 3.14Å; G36-I45 PolarHBondContact N-O 3.03Å
37T94.8Very high94.3Very high57 Ų5754 Ų5435%0.3531%0.306SS..  trans-76.3153.7175.266.90000111.7D33 V34 E35 I45D33-T37 VanDerWaalsContact O-CG2 3.26Å; D33-T37 WeakPolarHBondContact O-CG2 3.47Å; V34-T37 WeakPolarHBondContact O-CB 3.45Å; V34-T37 PolarHBondContact O-N 2.86Å; V34-T37 PolarHBondContact O-OG1 2.86Å; E35-T37 PolarHBondContact O-N 3.07Å; T37-I45 PolarHBondContact O-N 2.8Å
38C93.5Very high94.4Very high17 Ų1750.7 Ų50.712%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-117.8135.1173.4-167.90000110.7F44 S158 I160C38-F44 HydrophobicContact CB-CD1 3.71Å; C38-F44 HydrophobicContact CB-CE1 3.95Å; C38-F44 HydrophobicContact CB-CG 4.41Å; C38-S158 VanDerWaalsContact CB-O 3.27Å; C38-S158 WeakPolarHBondContact CB-O 3.27Å; C38-I160 VanDerWaalsContact SG-CD1 3.53Å; C38-I160 VanDerWaalsContact SG-CG1 3.56Å
39S90.3Very high94.5Very high39 Ų3949.4 Ų49.427%0.27329%0.285SS..EExtended strand (participates in β ladder)trans-116.2132.7172.21770000110.1K41 Y42 G43 R78S39-K41 PolarHBondContact O-N 2.88Å; S39-K41 PolarHBondContact OG-N 2.95Å; S39-Y42 PolarHBondContact O-N 3.08Å; S39-G43 PolarHBondContact N-O 2.94Å; S39-G43 WeakPolarHBondContact O-CA 3.34Å; S39-G43 PolarHBondContact O-N 3.42Å; S39-R78 PolarHBondContact O-NH1 2.85Å
40G87.6Confident94.6Very high35 Ų3550.3 Ų50.336%0.36129%0.294SS..THydrogen-bonded Turntrans-56.9-17.1171.100000114.7R78 V155G40-R78 PolarHBondContact O-NH1 2.99Å; G40-R78 PolarHBondContact O-NH2 3.16Å; G40-V155 VanDerWaalsContact CA-CG1 3.41Å
41K90.6Very high94.6Very high149 Ų14951.8 Ų51.865%0.64830%0.302SS*.THydrogen-bonded Turntrans-94-45.8175-174.6177.2175.8-168.10113.4S39S39-K41 PolarHBondContact O-N 2.88Å; S39-K41 PolarHBondContact OG-N 2.95Å
42Y92.7Very high94.5Very high89 Ų8951.8 Ų51.835%0.34930%0.303SS..THydrogen-bonded Turntrans-101-16-170.7-54.4-64.6000114.1I5 L7 S39I5-Y42 HydrophobicContact CD1-CD1 4.01Å; L7-Y42 HydrophobicContact CD2-CD1 3.72Å; L7-Y42 HydrophobicContact CD2-CD2 3.9Å; L7-Y42 HydrophobicContact CD2-CE1 3.79Å; L7-Y42 HydrophobicContact CD2-CE2 3.96Å; L7-Y42 HydrophobicContact CD2-CG 3.78Å; S39-Y42 PolarHBondContact O-N 3.08Å
43G94.2Very high94.5Very high0 Ų052.9 Ų52.90%030%0.297CS..EExtended strand (participates in β ladder)trans88.8-157.7-172.300000111.9S39 Y77S39-G43 PolarHBondContact N-O 2.94Å; S39-G43 WeakPolarHBondContact O-CA 3.34Å; S39-G43 PolarHBondContact O-N 3.42Å; G43-Y77 CarbonylContact C-O 3.58Å; G43-Y77 WeakPolarHBondContact CA-O 3.47Å
44F96.2Very high94.5Very high12 Ų1253 Ų535%0.05330%0.297CS..EExtended strand (participates in β ladder)trans-76.8127.5177.4-59.4-87.6000110.1C38 I46 V76 Y77 P103 L104 D159 I160C38-F44 HydrophobicContact CB-CD1 3.71Å; C38-F44 HydrophobicContact CB-CE1 3.95Å; C38-F44 HydrophobicContact CB-CG 4.41Å; F44-I46 HydrophobicContact CB-CD1 3.99Å; F44-I46 PolarHBondContact O-N 3.04Å; F44-V76 CarbonylContact O-C 3.6Å; F44-V76 WeakPolarHBondContact O-CA 3.42Å; F44-V76 WeakPolarHBondContact O-CB 3.3Å; F44-Y77 AromaticContact CD2-CD1 3.84Å; F44-Y77 HydrophobicContact CD2-CD1 3.84Å; F44-Y77 WeakPolarHBondContact CD2-O 3.2Å; F44-Y77 HydrophobicContact CE2-CD1 4.42Å; F44-Y77 PolarHBondContact N-O 2.68Å; F44-Y77 PolarHBondContact O-N 2.95Å; F44-P103 HydrophobicContact CB-CG 3.89Å; F44-P103 HydrophobicContact CD1-CB 3.86Å; F44-P103 HydrophobicContact CD1-CG 3.92Å; F44-P103 HydrophobicContact CD2-CG 3.94Å; F44-P103 HydrophobicContact CE1-CB 4.09Å; F44-P103 HydrophobicContact CE1-CG 4.41Å; F44-P103 HydrophobicContact CE2-CG 4.43Å; F44-P103 HydrophobicContact CG-CB 4.13Å; F44-P103 HydrophobicContact CG-CG 3.65Å; F44-L104 HydrophobicContact CE2-CB 4.21Å; F44-L104 HydrophobicContact CE2-CD1 4.32Å; F44-D159 WeakPolarHBondContact CE1-OD1 3.25Å; F44-D159 VanDerWaalsContact CZ-OD1 3.28Å; F44-D159 WeakPolarHBondContact CZ-OD1 3.19Å; F44-I160 HydrophobicContact CE2-CB 3.87Å; F44-I160 HydrophobicContact CE2-CD1 4.32Å; F44-I160 HydrophobicContact CE2-CG1 4.47Å; F44-I160 HydrophobicContact CZ-CB 3.84Å
45I96.4Very high94.4Very high11 Ų1153.5 Ų53.56%0.05630%0.303CS..EExtended strand (participates in β ladder)trans-85.3107.2172.2-57.3-176.6000107.4L7 V34 G36 T37 A74 V76L7-I45 HydrophobicContact CD1-CD1 4.04Å; L7-I45 HydrophobicContact CD1-CG1 4.45Å; V34-I45 HydrophobicContact CB-CD1 4.35Å; V34-I45 HydrophobicContact CG2-CG2 4.45Å; V34-I45 WeakPolarHBondContact O-CB 3.06Å; V34-I45 WeakPolarHBondContact O-CG2 3.39Å; G36-I45 WeakPolarHBondContact CA-O 3.14Å; G36-I45 PolarHBondContact N-O 3.03Å; T37-I45 PolarHBondContact O-N 2.8Å; I45-A74 HydrophobicContact CG2-CB 4.14Å; I45-V76 HydrophobicContact CG1-CG1 4.3Å
46I96.8Very high94.3Very high71 Ų7153.9 Ų53.936%0.36432%0.32SS..EExtended strand (participates in β ladder)trans-79.7-54.5-174.6-53.3-56.4000110.3F2 F44 I75 P103F2-I46 HydrophobicContact CE1-CG1 4.26Å; F44-I46 HydrophobicContact CB-CD1 3.99Å; F44-I46 PolarHBondContact O-N 3.04Å; I46-I75 HydrophobicContact CB-CG2 4.23Å; I46-I75 WeakPolarHBondContact CB-O 3.17Å; I46-I75 HydrophobicContact CG1-CG2 4.39Å; I46-I75 PolarHBondContact N-O 2.98Å; I46-P103 HydrophobicContact CD1-CG 3.99Å
47A96.9Very high94.1Very high34 Ų3452.3 Ų52.328%0.28130%0.304SS..EExtended strand (participates in β ladder)trans-157.4145.9-178.400000111.4A74 I75A47-A74 CarbonylContact O-C 3.59Å; A47-A74 VanDerWaalsContact O-CA 3.26Å; A47-A74 WeakPolarHBondContact O-CA 3.4Å; A47-A74 WeakPolarHBondContact O-CB 3.38Å; A47-I75 PolarHBondContact N-O 3.25Å; A47-I75 PolarHBondContact O-N 2.79Å
48V96.9Very high94.1Very high18 Ų1855 Ų5511%0.10932%0.315CS..EExtended strand (participates in β ladder)trans-81.1125.6169.61790000108.9L30 F31 V34 E35 I51 Y72L30-V48 HydrophobicContact CD2-CG1 4.43Å; F31-V48 HydrophobicContact CD1-CB 3.78Å; F31-V48 HydrophobicContact CD1-CG1 4.16Å; F31-V48 HydrophobicContact CD1-CG2 4.05Å; F31-V48 HydrophobicContact CE1-CB 3.77Å; F31-V48 HydrophobicContact CE1-CG1 3.71Å; F31-V48 HydrophobicContact CE1-CG2 4.45Å; V34-V48 HydrophobicContact CG2-CG2 3.43Å; V34-V48 VanDerWaalsContact CG2-CG2 3.43Å; E35-V48 HydrophobicContact CG-CG2 3.97Å; E35-V48 PolarHBondContact OE1-N 3.4Å; V48-I51 HydrophobicContact CG1-CG1 4.27Å; V48-Y72 HydrophobicContact CB-CD2 4.35Å; V48-Y72 HydrophobicContact CG1-CD2 3.79Å; V48-Y72 HydrophobicContact CG1-CG 4.36Å; V48-Y72 HydrophobicContact CG2-CD2 3.77Å; V48-Y72 HydrophobicContact CG2-CE2 3.81Å
49T96.6Very high94.1Very high65 Ų6560.1 Ų60.140%0.39934%0.34SS..EExtended strand (participates in β ladder)trans-94.3-43.3-177.554.70000112.8H4 R73 I75H4-T49 PolarHBondContact NE2-OG1 3.35Å; T49-R73 PolarHBondContact N-O 3.19Å; T49-R73 WeakPolarHBondContact OG1-CB 3.07Å; T49-R73 PolarHBondContact OG1-O 2.92Å; T49-I75 HydrophobicContact CG2-CD1 3.74Å; T49-I75 HydrophobicContact CG2-CG1 3.65Å
50N95.7Very high94.2Very high96 Ų9661 Ų6151%0.51334%0.34SS..EExtended strand (participates in β ladder)trans-152.8146.3-177.4-170.218.9000110.3Y72 R73N50-Y72 CarbonylContact O-C 3.58Å; N50-Y72 WeakPolarHBondContact O-CA 3.26Å; N50-Y72 WeakPolarHBondContact O-CB 3.48Å; N50-R73 PolarHBondContact N-O 3.41Å; N50-R73 PolarHBondContact O-N 2.74Å
51I95.8Very high94.3Very high31 Ų3163.9 Ų63.916%0.15935%0.352CS..EExtended strand (participates in β ladder)trans-105.5108.5174.6-61.6172000106.7K27 L30 F31 V48 I54 I70K27-I51 HydrophobicContact CB-CD1 3.93Å; K27-I51 HydrophobicContact CD-CD1 3.98Å; K27-I51 HydrophobicContact CG-CD1 3.51Å; L30-I51 HydrophobicContact CD2-CD1 3.78Å; L30-I51 HydrophobicContact CD2-CG1 3.87Å; F31-I51 HydrophobicContact CE1-CD1 4.02Å; F31-I51 HydrophobicContact CZ-CD1 4.02Å; V48-I51 HydrophobicContact CG1-CG1 4.27Å; I51-I54 HydrophobicContact CG2-CD1 4.33Å; I51-I54 HydrophobicContact CG2-CG1 3.89Å; I51-I70 HydrophobicContact CG2-CG2 3.78Å
52E95.4Very high94.3Very high72 Ų7265.1 Ų65.134%0.33637%0.366SS..EExtended strand (participates in β ladder)trans-77.1-41.7-175.6-68-168.4161.200111.7K6 V71 R73K6-E52 WeakPolarHBondContact CD-OE2 3.26Å; K6-E52 WeakPolarHBondContact CE-OE2 3.35Å; K6-E52 IonicContact NZ-OE2 2.71Å; K6-E52 PolarHBondContact NZ-OE2 3.48Å; E52-V71 PolarHBondContact N-O 3.15Å; E52-R73 HydrophobicContact CG-CG 4.37Å; E52-R73 IonicContact OE1-CZ 3.26Å; E52-R73 VanDerWaalsContact OE1-CZ 3.26Å; E52-R73 IonicContact OE1-NE 2.69Å; E52-R73 PolarHBondContact OE1-NE 3.13Å; E52-R73 IonicContact OE1-NH2 2.94Å; E52-R73 PolarHBondContact OE1-NH2 3.2Å
53H95.3Very high94Very high114 Ų11470.4 Ų70.453%0.52839%0.385SS..EExtended strand (participates in β ladder)trans-154134.8-173.7-179.9-96.2000111.9V71H53-V71 HydrophobicContact CB-CB 4.2Å; H53-V71 PolarHBondContact N-O 3.47Å; H53-V71 VanDerWaalsContact N-O 3.11Å; H53-V71 PolarHBondContact O-N 3.13Å
54I94.5Very high93.6Very high52 Ų5272.1 Ų72.127%0.26740%0.403SS..EExtended strand (participates in β ladder)trans-110.3112.6170.5-59.9172.3000106.5T23 V26 I51 Y68 I70T23-I54 HydrophobicContact CG2-CD1 3.69Å; V26-I54 HydrophobicContact CG1-CG2 4.36Å; I51-I54 HydrophobicContact CG2-CD1 4.33Å; I51-I54 HydrophobicContact CG2-CG1 3.89Å; I54-Y68 HydrophobicContact CG2-CD1 4.24Å; I54-I70 HydrophobicContact CG1-CG2 4.34Å; I54-I70 HydrophobicContact CG2-CG1 4.48Å
55G93Very high93.4Very high13 Ų1374.8 Ų74.813%0.13442%0.415CS..PPolyproline II helixtrans-67.9164.1178.400000113G57 R69G55-G57 PolarHBondContact O-N 3.27Å; G55-R69 WeakPolarHBondContact CA-O 3.13Å; G55-R69 PolarHBondContact N-O 2.97Å
56A92.4Very high93.3Very high90 Ų9074.6 Ų74.674%0.74441%0.414SS*.PPolyproline II helixtrans-59.3137.3174.300000110.8I58A56-I58 PolarHBondContact O-N 3.07Å
57G90.9Very high93.2Very high34 Ų3473 Ų7335%0.35141%0.405SS..PPolyproline II helixtrans-71.2122178.200000111.5G55 Q67 Y68G55-G57 PolarHBondContact O-N 3.27Å; G57-Q67 CarbonylContact C-O 3.53Å; G57-Q67 WeakPolarHBondContact CA-O 3.36Å; G57-Y68 VanDerWaalsContact CA-CE1 3.4Å
58I93.8Very high93.2Very high112 Ų11272.7 Ų72.757%0.57440%0.397SS*.EExtended strand (participates in β ladder)trans-96.9118.5176.2-56.9174.2000108.5A56 Q60 V66 Q67A56-I58 PolarHBondContact O-N 3.07Å; I58-Q60 PolarHBondContact O-N 2.81Å; I58-V66 WeakPolarHBondContact O-CA 3.34Å; I58-Q67 PolarHBondContact N-O 3.11Å; I58-Q67 PolarHBondContact O-N 2.87Å
59I93.4Very high93.1Very high125 Ų12578.3 Ų78.364%0.64142%0.416SS*.EExtended strand (participates in β ladder)trans-70.1124.4176.7-60.1165000108.8V66I59-V66 HydrophobicContact CB-CG2 4.46Å; I59-V66 HydrophobicContact CG1-CG2 3.76Å
60Q92.4Very high93.1Very high57 Ų5775.2 Ų75.227%0.26640%0.397SS..PPolyproline II helixtrans-75.6124.3175.8-72.7-65.2-22.400110.2L12 I58 R63 G64 F65 Q67L12-Q60 HydrophobicContact CD2-CG 4.18Å; I58-Q60 PolarHBondContact O-N 2.81Å; Q60-R63 PolarHBondContact O-N 2.9Å; Q60-G64 PolarHBondContact O-N 3.44Å; Q60-F65 WeakPolarHBondContact CB-O 3.45Å; Q60-F65 PolarHBondContact N-O 3.43Å; Q60-Q67 HydrophobicContact CG-CB 4.47Å
61P91.5Very high93.2Very high96 Ų9671.4 Ų71.462%0.62338%0.377SS*.THydrogen-bonded Turntrans-61.2141.1-178.723.3-31000110.8R63P61-R63 PolarHBondContact O-N 2.86Å
62N89.3Confident93.3Very high176 Ų17670.2 Ų70.294%0.94137%0.371SS*.THydrogen-bonded Turntrans63.41.9176.2-53-32.3000117
63R86.3Confident93.4Very high199 Ų19971 Ų7175%0.75137%0.371SS*.THydrogen-bonded Turntrans-118.4-22.3178.3-61.8-169.4177.9-170.30.4114.1Q60 P61 F65Q60-R63 PolarHBondContact O-N 2.9Å; P61-R63 PolarHBondContact O-N 2.86Å; R63-F65 HydrophobicContact CB-CD2 3.99Å; R63-F65 WeakPolarHBondContact O-CD2 3.42Å; R63-F65 PolarHBondContact O-N 3.03Å; R63-F65 VanDerWaalsContact O-N 3.16Å
64G86Confident93.5Very high36 Ų3665.6 Ų65.637%0.37135%0.346SS..  trans75-9.6-177.500000114.7P15 Q60P15-G64 WeakPolarHBondContact CD-O 3.42Å; P15-G64 WeakPolarHBondContact CG-O 3.15Å; Q60-G64 PolarHBondContact O-N 3.44Å
65F93.1Very high93.7Very high69 Ų6966.2 Ų66.230%0.30335%0.349SS..  trans-65.3150.9172.5-74.8-103.7000111.2L12 L13 H14 Q60 R63L12-F65 HydrophobicContact CB-CD1 4.45Å; L12-F65 HydrophobicContact CD2-CB 4.18Å; L13-F65 WeakPolarHBondContact O-CA 3.42Å; H14-F65 HydrophobicContact CB-CD1 4.11Å; H14-F65 HydrophobicContact CB-CE1 3.65Å; H14-F65 HydrophobicContact CB-CZ 4.15Å; H14-F65 AromaticContact CD2-CE1 3.97Å; H14-F65 AromaticContact CD2-CE2 3.85Å; H14-F65 AromaticContact CD2-CZ 3.55Å; Q60-F65 WeakPolarHBondContact CB-O 3.45Å; Q60-F65 PolarHBondContact N-O 3.43Å; R63-F65 HydrophobicContact CB-CD2 3.99Å; R63-F65 WeakPolarHBondContact O-CD2 3.42Å; R63-F65 PolarHBondContact O-N 3.03Å; R63-F65 VanDerWaalsContact O-N 3.16Å
66V94.2Very high93.9Very high7 Ų765.7 Ų65.74%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-111.9132.5170.3176.10000109.2L13 F18 I58 I59 Y68L13-V66 PolarHBondContact N-O 3.06Å; L13-V66 PolarHBondContact O-N 3.22Å; F18-V66 HydrophobicContact CE1-CB 4.36Å; F18-V66 HydrophobicContact CE1-CG2 4.41Å; F18-V66 HydrophobicContact CE2-CG2 3.81Å; F18-V66 HydrophobicContact CZ-CB 3.71Å; F18-V66 HydrophobicContact CZ-CG2 3.36Å; I58-V66 WeakPolarHBondContact O-CA 3.34Å; I59-V66 HydrophobicContact CB-CG2 4.46Å; I59-V66 HydrophobicContact CG1-CG2 3.76Å; V66-Y68 HydrophobicContact CB-CE2 3.99Å; V66-Y68 HydrophobicContact CG1-CD2 4.04Å; V66-Y68 HydrophobicContact CG1-CE1 4.2Å; V66-Y68 HydrophobicContact CG1-CE2 3.43Å; V66-Y68 VanDerWaalsContact CG1-CE2 3.43Å
67Q94.5Very high94.1Very high37 Ų3761.9 Ų61.917%0.17331%0.31CS..EExtended strand (participates in β ladder)trans-98.4125.7176-179.2171.4-28.800110.3E10 I11 L12 G57 I58 Q60E10-Q67 HydrophobicContact CB-CG 4.37Å; E10-Q67 PolarHBondContact OE1-NE2 3.42Å; E10-Q67 PolarHBondContact OE2-NE2 2.63Å; I11-Q67 CarbonylContact O-C 3.47Å; I11-Q67 VanDerWaalsContact O-CA 3.3Å; I11-Q67 WeakPolarHBondContact O-CA 3.49Å; L12-Q67 HydrophobicContact CD2-CB 4.45Å; G57-Q67 CarbonylContact C-O 3.53Å; G57-Q67 WeakPolarHBondContact CA-O 3.36Å; I58-Q67 PolarHBondContact N-O 3.11Å; I58-Q67 PolarHBondContact O-N 2.87Å; Q60-Q67 HydrophobicContact CG-CB 4.47Å
68Y95.4Very high94.3Very high27 Ų2762.4 Ų62.411%0.10630%0.301CS..EExtended strand (participates in β ladder)trans-111.9121.5174.6-66.8-84.3000109.6E10 I11 L13 V26 I54 G57 V66E10-Y68 WeakPolarHBondContact CA-O 3.29Å; I11-Y68 PolarHBondContact N-O 3.02Å; I11-Y68 PolarHBondContact O-N 3.31Å; L13-Y68 HydrophobicContact CB-CD2 4.34Å; L13-Y68 HydrophobicContact CB-CE2 4.17Å; L13-Y68 HydrophobicContact CD2-CE2 4.13Å; V26-Y68 HydrophobicContact CG2-CD2 4.03Å; V26-Y68 HydrophobicContact CG2-CE2 4.13Å; V26-Y68 HydrophobicContact CG2-CG 4.41Å; I54-Y68 HydrophobicContact CG2-CD1 4.24Å; G57-Y68 VanDerWaalsContact CA-CE1 3.4Å; V66-Y68 HydrophobicContact CB-CE2 3.99Å; V66-Y68 HydrophobicContact CG1-CD2 4.04Å; V66-Y68 HydrophobicContact CG1-CE1 4.2Å; V66-Y68 HydrophobicContact CG1-CE2 3.43Å; V66-Y68 VanDerWaalsContact CG1-CE2 3.43Å
69R96.3Very high94.4Very high136 Ų13657.1 Ų57.151%0.51327%0.274SS..EExtended strand (participates in β ladder)trans-86.2119.9169-177171.2173.2-172.5-2.4109E8 E10 G55E8-R69 IonicContact OE1-NH2 3.61Å; E8-R69 IonicContact OE2-CZ 3.2Å; E8-R69 IonicContact OE2-NE 2.99Å; E8-R69 PolarHBondContact OE2-NE 3.37Å; E8-R69 IonicContact OE2-NH2 2.63Å; E8-R69 PolarHBondContact OE2-NH2 3.26Å; E10-R69 HydrophobicContact CG-CB 4.49Å; E10-R69 HydrophobicContact CG-CG 4.45Å; G55-R69 WeakPolarHBondContact CA-O 3.13Å; G55-R69 PolarHBondContact N-O 2.97Å
70I96.7Very high94.4Very high1 Ų155.2 Ų55.21%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-117.1136.1-174.7-54.1172.9000109.4E8 H9 I11 V26 L30 I51 I54E8-I70 VanDerWaalsContact CA-O 3.32Å; E8-I70 WeakPolarHBondContact CA-O 3.39Å; H9-I70 PolarHBondContact N-O 3.42Å; H9-I70 PolarHBondContact O-N 2.68Å; I11-I70 HydrophobicContact CB-CD1 4.36Å; I11-I70 HydrophobicContact CD1-CD1 3.33Å; I11-I70 HydrophobicContact CG1-CD1 3.79Å; V26-I70 HydrophobicContact CG1-CD1 3.33Å; V26-I70 HydrophobicContact CG1-CG1 4.29Å; L30-I70 HydrophobicContact CB-CD1 4.43Å; L30-I70 HydrophobicContact CD1-CD1 4.39Å; L30-I70 HydrophobicContact CD2-CG2 3.96Å; I51-I70 HydrophobicContact CG2-CG2 3.78Å; I54-I70 HydrophobicContact CG1-CG2 4.34Å; I54-I70 HydrophobicContact CG2-CG1 4.48Å
71V97.3Very high94.6Very high16 Ų1660.1 Ų60.110%0.09728%0.282CS..EExtended strand (participates in β ladder)trans-112.8121177.2-175.70000107.8K6 E8 E52 H53K6-V71 HydrophobicContact CD-CG1 4.21Å; K6-V71 HydrophobicContact CG-CG1 4.08Å; E8-V71 HydrophobicContact CG-CG1 4.49Å; E8-V71 HydrophobicContact CG-CG2 4.16Å; E52-V71 PolarHBondContact N-O 3.15Å; H53-V71 HydrophobicContact CB-CB 4.2Å; H53-V71 PolarHBondContact N-O 3.47Å; H53-V71 VanDerWaalsContact N-O 3.11Å; H53-V71 PolarHBondContact O-N 3.13Å
72Y97.6Very high94.7Very high5 Ų557.8 Ų57.82%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-140.5163.1-173.467.1-78.8000111.2K6 L7 H9 L30 V34 V48 N50 A74K6-Y72 WeakPolarHBondContact CA-O 3.45Å; L7-Y72 HydrophobicContact CB-CD1 4.46Å; L7-Y72 HydrophobicContact CB-CE1 3.87Å; L7-Y72 HydrophobicContact CB-CE2 4.05Å; L7-Y72 HydrophobicContact CD1-CE2 4.23Å; L7-Y72 PolarHBondContact N-O 2.73Å; L7-Y72 PolarHBondContact O-N 3.08Å; L7-Y72 VanDerWaalsContact O-O 3.14Å; H9-Y72 HydrophobicContact CB-CE1 3.66Å; L30-Y72 HydrophobicContact CD1-CD1 4.08Å; L30-Y72 HydrophobicContact CD1-CE1 4.02Å; L30-Y72 HydrophobicContact CD2-CD1 4.13Å; L30-Y72 HydrophobicContact CD2-CG 4.01Å; V34-Y72 HydrophobicContact CG2-CE2 4.02Å; V48-Y72 HydrophobicContact CB-CD2 4.35Å; V48-Y72 HydrophobicContact CG1-CD2 3.79Å; V48-Y72 HydrophobicContact CG1-CG 4.36Å; V48-Y72 HydrophobicContact CG2-CD2 3.77Å; V48-Y72 HydrophobicContact CG2-CE2 3.81Å; N50-Y72 CarbonylContact O-C 3.58Å; N50-Y72 WeakPolarHBondContact O-CA 3.26Å; N50-Y72 WeakPolarHBondContact O-CB 3.48Å; Y72-A74 HydrophobicContact CD2-CB 4.12Å; Y72-A74 HydrophobicContact CE2-CB 3.85Å
73R97.7Very high95Very high89 Ų8950.9 Ų50.934%0.33624%0.237SC..EExtended strand (participates in β ladder)trans-106.7136.7170.1-68.8-171.6-178.7-108.5-9.1110I5 T49 N50 E52I5-R73 CarbonylContact O-C 3.6Å; I5-R73 VanDerWaalsContact O-CA 3.26Å; I5-R73 WeakPolarHBondContact O-CA 3.46Å; T49-R73 PolarHBondContact N-O 3.19Å; T49-R73 WeakPolarHBondContact OG1-CB 3.07Å; T49-R73 PolarHBondContact OG1-O 2.92Å; N50-R73 PolarHBondContact N-O 3.41Å; N50-R73 PolarHBondContact O-N 2.74Å; E52-R73 HydrophobicContact CG-CG 4.37Å; E52-R73 IonicContact OE1-CZ 3.26Å; E52-R73 VanDerWaalsContact OE1-CZ 3.26Å; E52-R73 IonicContact OE1-NE 2.69Å; E52-R73 PolarHBondContact OE1-NE 3.13Å; E52-R73 IonicContact OE1-NH2 2.94Å; E52-R73 PolarHBondContact OE1-NH2 3.2Å
74A97.6Very high95.5Very high0 Ų044.5 Ų44.50%022%0.22CC..EExtended strand (participates in β ladder)trans-132.6152.8177.700000111.5I5 L7 I45 A47 Y72 V76I5-A74 PolarHBondContact N-O 3.11Å; I5-A74 PolarHBondContact O-N 2.85Å; L7-A74 HydrophobicContact CD1-CB 4.25Å; I45-A74 HydrophobicContact CG2-CB 4.14Å; A47-A74 CarbonylContact O-C 3.59Å; A47-A74 VanDerWaalsContact O-CA 3.26Å; A47-A74 WeakPolarHBondContact O-CA 3.4Å; A47-A74 WeakPolarHBondContact O-CB 3.38Å; Y72-A74 HydrophobicContact CD2-CB 4.12Å; Y72-A74 HydrophobicContact CE2-CB 3.85Å; A74-V76 HydrophobicContact CB-CG1 4.33Å
75I97.9Very high96Very high65 Ų6543.3 Ų43.333%0.33321%0.205SC..EExtended strand (participates in β ladder)trans-82.5122.5162.3-65.9164.6000106.5F2 Y3 I46 A47 T49F2-I75 HydrophobicContact CD1-CG2 4.21Å; Y3-I75 CarbonylContact O-C 3.59Å; Y3-I75 WeakPolarHBondContact O-CA 3.48Å; I46-I75 HydrophobicContact CB-CG2 4.23Å; I46-I75 WeakPolarHBondContact CB-O 3.17Å; I46-I75 HydrophobicContact CG1-CG2 4.39Å; I46-I75 PolarHBondContact N-O 2.98Å; A47-I75 PolarHBondContact N-O 3.25Å; A47-I75 PolarHBondContact O-N 2.79Å; T49-I75 HydrophobicContact CG2-CD1 3.74Å; T49-I75 HydrophobicContact CG2-CG1 3.65Å
76V97.2Very high96.1Very high3 Ų344.2 Ų44.22%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-119.7145.9176.7-55.90000110.1F2 Y3 I5 L7 F44 I45 A74F2-V76 CarbonylContact C-O 3.55Å; F2-V76 WeakPolarHBondContact CA-O 3.25Å; Y3-V76 PolarHBondContact N-O 2.69Å; Y3-V76 PolarHBondContact O-N 2.87Å; I5-V76 HydrophobicContact CD1-CG1 4.06Å; I5-V76 HydrophobicContact CD1-CG2 3.72Å; I5-V76 HydrophobicContact CG1-CG1 4.03Å; I5-V76 HydrophobicContact CG1-CG2 3.85Å; L7-V76 HydrophobicContact CD1-CG1 4.16Å; F44-V76 CarbonylContact O-C 3.6Å; F44-V76 WeakPolarHBondContact O-CA 3.42Å; F44-V76 WeakPolarHBondContact O-CB 3.3Å; I45-V76 HydrophobicContact CG1-CG1 4.3Å; A74-V76 HydrophobicContact CB-CG1 4.33Å
77Y96.7Very high96.2Very high9 Ų944 Ų444%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-108.7114.3171.3180-114.1000109.4F2 G43 F44 P103 L104F2-Y77 AromaticContact CD1-CD2 3.85Å; F2-Y77 HydrophobicContact CD1-CD2 3.85Å; F2-Y77 HydrophobicContact CD1-CG 4.3Å; F2-Y77 AromaticContact CD2-CD2 3.92Å; F2-Y77 HydrophobicContact CD2-CD2 3.92Å; F2-Y77 HydrophobicContact CD2-CE2 4.32Å; F2-Y77 AromaticContact CE1-CD2 3.67Å; F2-Y77 HydrophobicContact CE1-CD2 3.67Å; F2-Y77 AromaticContact CE1-CG 3.96Å; F2-Y77 HydrophobicContact CE1-CG 3.96Å; F2-Y77 AromaticContact CE2-CD2 3.74Å; F2-Y77 HydrophobicContact CE2-CD2 3.74Å; F2-Y77 AromaticContact CE2-CE2 3.97Å; F2-Y77 HydrophobicContact CE2-CE2 3.97Å; F2-Y77 AromaticContact CG-CD2 3.97Å; F2-Y77 HydrophobicContact CG-CD2 3.97Å; F2-Y77 AromaticContact CZ-CD2 3.61Å; F2-Y77 HydrophobicContact CZ-CD2 3.61Å; F2-Y77 HydrophobicContact CZ-CE2 4.12Å; F2-Y77 HydrophobicContact CZ-CG 4.18Å; G43-Y77 CarbonylContact C-O 3.58Å; G43-Y77 WeakPolarHBondContact CA-O 3.47Å; F44-Y77 AromaticContact CD2-CD1 3.84Å; F44-Y77 HydrophobicContact CD2-CD1 3.84Å; F44-Y77 WeakPolarHBondContact CD2-O 3.2Å; F44-Y77 HydrophobicContact CE2-CD1 4.42Å; F44-Y77 PolarHBondContact N-O 2.68Å; F44-Y77 PolarHBondContact O-N 2.95Å; Y77-P103 HydrophobicContact CD1-CG 4.12Å; Y77-L104 HydrophobicContact CE1-CB 3.69Å; Y77-L104 HydrophobicContact CE1-CD2 4.08Å
78R95.3Very high96.3Very high46 Ų4645.6 Ų45.617%0.17422%0.221CC..  trans-122.8108.5179.1-177.267.4-178.4-164.9-3.4109.5M1 Y3 S39 G40 F80M1-R78 PolarHBondContact N-O 2.71Å; M1-R78 PolarHBondContact O-N 2.94Å; Y3-R78 HydrophobicContact CD2-CB 4.25Å; Y3-R78 HydrophobicContact CE2-CB 4.16Å; S39-R78 PolarHBondContact O-NH1 2.85Å; G40-R78 PolarHBondContact O-NH1 2.99Å; G40-R78 PolarHBondContact O-NH2 3.16Å; R78-F80 HydrophobicContact CB-CE2 4.34Å; R78-F80 HydrophobicContact CB-CZ 4.06Å; R78-F80 HydrophobicContact CG-CE1 3.77Å; R78-F80 HydrophobicContact CG-CE2 4.13Å; R78-F80 HydrophobicContact CG-CZ 3.5Å; R78-F80 WeakPolarHBondContact O-CD2 3.46Å; R78-F80 WeakPolarHBondContact O-CE2 3.41Å
79P95.6Very high96.2Very high0 Ų044.3 Ų44.30%022%0.216CC..  trans-75.5154.6173.931.5-35.3000111.4E83 L104 I150 L153 I160P79-E83 WeakPolarHBondContact CA-OE2 3.19Å; P79-L104 HydrophobicContact CB-CD2 3.72Å; P79-L104 HydrophobicContact CG-CD1 4.17Å; P79-L104 HydrophobicContact CG-CD2 3.94Å; P79-I150 HydrophobicContact CB-CD1 3.85Å; P79-L153 HydrophobicContact CB-CD2 3.92Å; P79-L153 HydrophobicContact CG-CD1 4.39Å; P79-L153 HydrophobicContact CG-CD2 3.75Å; P79-L153 WeakPolarHBondContact O-CD1 3.37Å; P79-I160 HydrophobicContact CG-CG2 4.12Å
80F94.5Very high96.1Very high85 Ų8540 Ų4037%0.37321%0.205SC..  trans-129.9153.7173.6-55.5-82.4000112.5M1 Y3 R78 G82 E83M1-F80 HydrophobicContact CB-CD2 4.4Å; M1-F80 HydrophobicContact CB-CE2 4.1Å; Y3-F80 AromaticContact CE2-CE2 3.59Å; Y3-F80 HydrophobicContact CE2-CE2 3.59Å; Y3-F80 AromaticContact CE2-CZ 3.82Å; Y3-F80 HydrophobicContact CE2-CZ 3.82Å; Y3-F80 AromaticContact CZ-CE2 3.74Å; Y3-F80 AromaticContact CZ-CZ 4Å; Y3-F80 WeakPolarHBondContact OH-CE2 3.5Å; R78-F80 HydrophobicContact CB-CE2 4.34Å; R78-F80 HydrophobicContact CB-CZ 4.06Å; R78-F80 HydrophobicContact CG-CE1 3.77Å; R78-F80 HydrophobicContact CG-CE2 4.13Å; R78-F80 HydrophobicContact CG-CZ 3.5Å; R78-F80 WeakPolarHBondContact O-CD2 3.46Å; R78-F80 WeakPolarHBondContact O-CE2 3.41Å; F80-G82 PolarHBondContact O-N 2.81Å; F80-E83 PolarHBondContact N-OE2 2.85Å; F80-E83 VanDerWaalsContact N-OE2 3.13Å; F80-E83 VanDerWaalsContact O-CB 3.25Å; F80-E83 WeakPolarHBondContact O-CB 3.09Å; F80-E83 PolarHBondContact O-N 2.88Å
81K95.2Very high96Very high161 Ų16144.9 Ų44.970%0.723%0.228SC*.THydrogen-bonded Turntrans-61.4131.5168.5174.4169.9-175.3176.30109.9E83 I151K81-E83 VanDerWaalsContact C-N 3.34Å; K81-I151 WeakPolarHBondContact CD-O 3.48Å; K81-I151 WeakPolarHBondContact CE-O 3.09Å; K81-I151 WeakPolarHBondContact CG-O 3.27Å
82G95.3Very high95.6Very high46 Ų4645 Ų4547%0.47423%0.228SC..THydrogen-bonded Turntrans88.9-7.7-177.500000114.2F80 I150F80-G82 PolarHBondContact O-N 2.81Å; G82-I150 WeakPolarHBondContact CA-O 3.44Å; G82-I150 PolarHBondContact N-O 3.24Å
83E95.8Very high95.2Very high32 Ų3246.7 Ų46.715%0.1524%0.24CC..  trans-68.6133.5177.1-167178.9177.300110.2M1 P79 F80 K81 V85 I150M1-E83 WeakPolarHBondContact CA-OE1 3.17Å; M1-E83 WeakPolarHBondContact CB-OE1 3.46Å; M1-E83 PolarHBondContact N-OE1 2.69Å; M1-E83 PolarHBondContact N-OE2 3.24Å; P79-E83 WeakPolarHBondContact CA-OE2 3.19Å; F80-E83 PolarHBondContact N-OE2 2.85Å; F80-E83 VanDerWaalsContact N-OE2 3.13Å; F80-E83 VanDerWaalsContact O-CB 3.25Å; F80-E83 WeakPolarHBondContact O-CB 3.09Å; F80-E83 PolarHBondContact O-N 2.88Å; K81-E83 VanDerWaalsContact C-N 3.34Å; E83-V85 HydrophobicContact CB-CG1 4.48Å; E83-V85 HydrophobicContact CG-CG1 3.79Å; E83-I150 HydrophobicContact CB-CD1 4.46Å; E83-I150 PolarHBondContact O-N 2.97Å
84V96.4Very high94.6Very high64 Ų6448.6 Ų48.639%0.38825%0.25SS..EExtended strand (participates in β ladder)trans-94.9123.8170.4179.60000107.9R147 I148 R149 L171V84-R147 HydrophobicContact CG1-CG 3.41Å; V84-R147 VanDerWaalsContact CG1-CG 3.41Å; V84-I148 CarbonylContact C-O 3.45Å; V84-I148 WeakPolarHBondContact CA-O 3.44Å; V84-R149 HydrophobicContact CG2-CB 4.09Å; V84-R149 HydrophobicContact CG2-CG 4.08Å; V84-L171 HydrophobicContact CG1-CD2 3.83Å; V84-L171 HydrophobicContact CG2-CD2 4.38Å
85V96Very high94.2Very high12 Ų1253.2 Ų53.27%0.07328%0.278CS..EExtended strand (participates in β ladder)trans-130.6145.5-175.3-61.70000110.4E83 A101 I106 I148 I150E83-V85 HydrophobicContact CB-CG1 4.48Å; E83-V85 HydrophobicContact CG-CG1 3.79Å; V85-A101 HydrophobicContact CG2-CB 4.44Å; V85-I106 HydrophobicContact CG2-CD1 3.67Å; V85-I148 PolarHBondContact N-O 3.49Å; V85-I148 PolarHBondContact O-N 2.85Å; V85-I150 HydrophobicContact CG1-CD1 4.2Å; V85-I150 HydrophobicContact CG2-CD1 4.13Å; V85-I150 HydrophobicContact CG2-CG1 4.15Å
86D95.5Very high93.9Very high87 Ų8750.2 Ų50.247%0.46526%0.264SS..EExtended strand (participates in β ladder)trans-87.3132.8169.3-63.2-16.5000108.2I146 R147D86-I146 WeakPolarHBondContact CA-O 3.46Å; D86-R147 IonicContact OD1-CZ 3.26Å; D86-R147 IonicContact OD1-NE 3.1Å; D86-R147 PolarHBondContact OD1-NE 3.37Å; D86-R147 IonicContact OD1-NH2 2.68Å; D86-R147 PolarHBondContact OD1-NH2 2.8Å; D86-R147 IonicContact OD2-NH2 3.45Å; D86-R147 PolarHBondContact OD2-NH2 2.83Å; D86-R147 VanDerWaalsContact OD2-NH2 3.12Å
87A96.1Very high93.6Very high4 Ų450.1 Ų50.13%0.03326%0.263CS..EExtended strand (participates in β ladder)trans-137.2159.6-176.900000110.6A99 E100 A101 I106 R145 I146 I148A87-A99 HydrophobicContact CB-CB 3.85Å; A87-E100 WeakPolarHBondContact CA-O 3.31Å; A87-E100 WeakPolarHBondContact CB-O 3.43Å; A87-A101 HydrophobicContact CB-CB 4.18Å; A87-I106 HydrophobicContact CB-CD1 4.18Å; A87-R145 WeakPolarHBondContact O-CA 3.49Å; A87-I146 PolarHBondContact N-O 2.97Å; A87-I146 PolarHBondContact O-N 2.99Å; A87-I148 HydrophobicContact CB-CD1 3.62Å
88I95.9Very high93.6Very high69 Ų6952.8 Ų52.835%0.35428%0.275SS..EExtended strand (participates in β ladder)trans-103.4130.3176.3-60.3172.7000108.1T90 A99 E100 D144 R145I88-T90 PolarHBondContact O-N 3.12Å; I88-A99 CarbonylContact O-C 3.52Å; I88-A99 WeakPolarHBondContact O-CA 3.33Å; I88-A99 WeakPolarHBondContact O-CB 3.15Å; I88-E100 PolarHBondContact N-O 2.85Å; I88-E100 PolarHBondContact O-N 2.86Å; I88-D144 WeakPolarHBondContact CA-O 3.42Å; I88-R145 HydrophobicContact CG1-CG 4.44Å
89V94.2Very high93.6Very high0 Ų050.6 Ų50.60%027%0.267CS..EExtended strand (participates in β ladder)trans-69.7121.4176.3177.60000109.8V92 V97 V140 Q141 E143 D144 I146V89-V92 HydrophobicContact CG1-CG2 3.9Å; V89-V97 HydrophobicContact CB-CG1 4.49Å; V89-V97 HydrophobicContact CG1-CG1 3.62Å; V89-V97 HydrophobicContact CG2-CG1 4.16Å; V89-V140 HydrophobicContact CG2-CG1 3.7Å; V89-Q141 WeakPolarHBondContact CB-O 3.11Å; V89-E143 PolarHBondContact O-N 3.33Å; V89-D144 PolarHBondContact N-O 2.82Å; V89-I146 HydrophobicContact CG2-CB 4.49Å; V89-I146 HydrophobicContact CG2-CD1 3.55Å; V89-I146 HydrophobicContact CG2-CG1 3.79Å; V89-I146 HydrophobicContact CG2-CG2 3.88Å
90T95Very high93.7Very high45 Ų4554.8 Ų54.828%0.27629%0.286SS..EExtended strand (participates in β ladder)trans-102.8-31.7179.6550000112.5I88 F98 E100I88-T90 PolarHBondContact O-N 3.12Å; T90-F98 PolarHBondContact N-O 3.08Å; T90-F98 PolarHBondContact OG1-O 2.84Å; T90-E100 HydrophobicContact CG2-CB 3.97Å; T90-E100 HydrophobicContact CG2-CG 3.65Å
91Q92.7Very high93.7Very high104 Ų10451.2 Ų51.249%0.48627%0.273SS..EExtended strand (participates in β ladder)trans-152.1134.9-180-171.7178.255.800112T93 F98Q91-T93 HydrophobicContact CG-CG2 3.93Å; Q91-F98 HydrophobicContact CB-CB 4.17Å; Q91-F98 HydrophobicContact CB-CD2 4.23Å; Q91-F98 PolarHBondContact N-O 2.78Å; Q91-F98 PolarHBondContact O-N 3.26Å
92V89.3Confident93.7Very high18 Ų1846.4 Ų46.411%0.10927%0.269CS..EExtended strand (participates in β ladder)trans-107129.7172.4175.70000109V89 V97 F119 A122 I142V89-V92 HydrophobicContact CG1-CG2 3.9Å; V92-V97 HydrophobicContact CG1-CG2 4.45Å; V92-V97 HydrophobicContact CG2-CG1 4.43Å; V92-V97 HydrophobicContact CG2-CG2 4.35Å; V92-F119 HydrophobicContact CG1-CB 3.48Å; V92-F119 VanDerWaalsContact CG1-CB 3.48Å; V92-F119 HydrophobicContact CG1-CG 4.28Å; V92-F119 HydrophobicContact CG2-CB 4.39Å; V92-A122 HydrophobicContact CG1-CB 4.05Å; V92-I142 HydrophobicContact CG2-CG1 4.39Å
93T89.1Confident93.6Very high42 Ų4246.9 Ų46.926%0.25826%0.263SS..EExtended strand (participates in β ladder)trans-133.5165.9178.473.20000111.3Q91 V95 G96 F98Q91-T93 HydrophobicContact CG-CG2 3.93Å; T93-V95 PolarHBondContact O-N 3.1Å; T93-V95 VanDerWaalsContact O-N 3.16Å; T93-V95 PolarHBondContact OG1-N 3.31Å; T93-G96 CarbonylContact C-O 3.55Å; T93-G96 WeakPolarHBondContact CA-O 3.46Å; T93-G96 PolarHBondContact N-O 2.81Å; T93-G96 PolarHBondContact O-N 2.74Å; T93-G96 PolarHBondContact OG1-N 2.85Å; T93-G96 PolarHBondContact OG1-O 3.3Å; T93-F98 HydrophobicContact CG2-CD2 4.4Å; T93-F98 HydrophobicContact CG2-CE2 4.25Å
94K85.3Confident93.6Very high129 Ų12945.3 Ų45.356%0.56126%0.256SS*.THydrogen-bonded Turntrans-62.5-20.4175.8-63.4-175.6-179.3-179.40113.7A122 E123K94-A122 HydrophobicContact CG-CB 4.5Å; K94-E123 IonicContact NZ-OE2 3.31Å; K94-E123 PolarHBondContact NZ-OE2 2.66Å
95V89.5Confident93.6Very high96 Ų9643.9 Ų43.958%0.58225%0.248SC*.THydrogen-bonded Turntrans-91.4-23.3-177.8-168.70000111.4T93 F107 K110T93-V95 PolarHBondContact O-N 3.1Å; T93-V95 VanDerWaalsContact O-N 3.16Å; T93-V95 PolarHBondContact OG1-N 3.31Å; V95-F107 HydrophobicContact CG1-CZ 4.18Å; V95-K110 PolarHBondContact O-N 2.87Å
96G90.8Very high93.6Very high3 Ų343.3 Ų43.33%0.03124%0.244CC..EExtended strand (participates in β ladder)trans159.1-166.1-172.800000112.3T93 I108T93-G96 CarbonylContact C-O 3.55Å; T93-G96 WeakPolarHBondContact CA-O 3.46Å; T93-G96 PolarHBondContact N-O 2.81Å; T93-G96 PolarHBondContact O-N 2.74Å; T93-G96 PolarHBondContact OG1-N 2.85Å; T93-G96 PolarHBondContact OG1-O 3.3Å; G96-I108 CarbonylContact C-O 3.45Å; G96-I108 WeakPolarHBondContact CA-O 3.39Å
97V92.3Very high93.7Very high0 Ų041.7 Ų41.70%023%0.233CC..EExtended strand (participates in β ladder)trans-123137.7-174.6179.70000110.1V89 V92 I108 F119V89-V97 HydrophobicContact CB-CG1 4.49Å; V89-V97 HydrophobicContact CG1-CG1 3.62Å; V89-V97 HydrophobicContact CG2-CG1 4.16Å; V92-V97 HydrophobicContact CG1-CG2 4.45Å; V92-V97 HydrophobicContact CG2-CG1 4.43Å; V92-V97 HydrophobicContact CG2-CG2 4.35Å; V97-I108 PolarHBondContact N-O 3.1Å; V97-I108 PolarHBondContact O-N 3.41Å; V97-F119 HydrophobicContact CB-CE1 4.37Å; V97-F119 HydrophobicContact CB-CZ 4.48Å; V97-F119 HydrophobicContact CG2-CD1 3.54Å; V97-F119 HydrophobicContact CG2-CD2 3.82Å; V97-F119 HydrophobicContact CG2-CE1 3.5Å; V97-F119 VanDerWaalsContact CG2-CE1 3.5Å; V97-F119 HydrophobicContact CG2-CE2 3.73Å; V97-F119 HydrophobicContact CG2-CG 3.72Å; V97-F119 HydrophobicContact CG2-CZ 3.58Å
98F95.3Very high93.6Very high65 Ų6541.5 Ų41.529%0.28523%0.231SC..EExtended strand (participates in β ladder)trans-99.3132.1168.4-65.9-84.5000109.1T90 Q91 T93 T105 I106 F107T90-F98 PolarHBondContact N-O 3.08Å; T90-F98 PolarHBondContact OG1-O 2.84Å; Q91-F98 HydrophobicContact CB-CB 4.17Å; Q91-F98 HydrophobicContact CB-CD2 4.23Å; Q91-F98 PolarHBondContact N-O 2.78Å; Q91-F98 PolarHBondContact O-N 3.26Å; T93-F98 HydrophobicContact CG2-CD2 4.4Å; T93-F98 HydrophobicContact CG2-CE2 4.25Å; F98-T105 HydrophobicContact CD1-CG2 4.23Å; F98-I106 WeakPolarHBondContact CA-O 3.33Å; F98-F107 HydrophobicContact CD1-CB 4.2Å; F98-F107 AromaticContact CD1-CD2 3.87Å; F98-F107 HydrophobicContact CD1-CD2 3.87Å; F98-F107 HydrophobicContact CD2-CD2 4.35Å; F98-F107 HydrophobicContact CE1-CB 4.03Å; F98-F107 AromaticContact CE1-CD2 3.48Å; F98-F107 HydrophobicContact CE1-CD2 3.48Å; F98-F107 VanDerWaalsContact CE1-CD2 3.48Å; F98-F107 HydrophobicContact CE1-CE2 4.32Å; F98-F107 HydrophobicContact CE1-CG 4.08Å; F98-F107 HydrophobicContact CE2-CD2 4Å; F98-F107 HydrophobicContact CE2-CE2 4.14Å; F98-F107 HydrophobicContact CG-CD2 4.29Å; F98-F107 AromaticContact CZ-CD2 3.55Å; F98-F107 HydrophobicContact CZ-CD2 3.55Å; F98-F107 AromaticContact CZ-CE2 3.94Å; F98-F107 HydrophobicContact CZ-CE2 3.94Å; F98-F107 HydrophobicContact CZ-CG 4.46Å
99A95.9Very high93.5Very high0 Ų039.4 Ų39.40%022%0.223CC..EExtended strand (participates in β ladder)trans-134.8152.5174.900000110A87 I88 I106 I146 I148A87-A99 HydrophobicContact CB-CB 3.85Å; I88-A99 CarbonylContact O-C 3.52Å; I88-A99 WeakPolarHBondContact O-CA 3.33Å; I88-A99 WeakPolarHBondContact O-CB 3.15Å; A99-I106 PolarHBondContact N-O 3.33Å; A99-I106 WeakPolarHBondContact O-CA 3.45Å; A99-I106 PolarHBondContact O-N 2.92Å; A99-I146 HydrophobicContact CB-CD1 3.99Å; A99-I146 HydrophobicContact CB-CG1 4.42Å; A99-I148 HydrophobicContact CB-CD1 3.79Å
100E96.8Very high93.2Very high88 Ų8844.6 Ų44.641%0.41125%0.245SC..EExtended strand (participates in β ladder)trans-118.8130.8-178.8-71.7-179.4-178.200111.1A87 I88 T90 L104A87-E100 WeakPolarHBondContact CA-O 3.31Å; A87-E100 WeakPolarHBondContact CB-O 3.43Å; I88-E100 PolarHBondContact N-O 2.85Å; I88-E100 PolarHBondContact O-N 2.86Å; T90-E100 HydrophobicContact CG2-CB 3.97Å; T90-E100 HydrophobicContact CG2-CG 3.65Å; E100-L104 WeakPolarHBondContact CA-O 3.28Å
101A95.5Very high93Very high11 Ų1151 Ų519%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-114.583.317200000108.6V85 A87 L104 I106V85-A101 HydrophobicContact CG2-CB 4.44Å; A87-A101 HydrophobicContact CB-CB 4.18Å; A101-L104 PolarHBondContact N-O 2.94Å; A101-L104 PolarHBondContact O-N 3.3Å; A101-I106 HydrophobicContact CB-CD1 3.9Å
102G94.1Very high92.9Very high60 Ų6047.3 Ų47.362%0.61925%0.251SS*.THydrogen-bonded Turntrans65.4-124.3-169.600000110.3L104G102-L104 VanDerWaalsContact C-N 3.29Å; G102-L104 PolarHBondContact O-N 3.47Å
103P94.2Very high92.8Very high55 Ų5547.2 Ų47.236%0.35725%0.251SS..THydrogen-bonded Turntrans-79.9-6.6178.434.6-36.6000114F44 I46 Y77F44-P103 HydrophobicContact CB-CG 3.89Å; F44-P103 HydrophobicContact CD1-CB 3.86Å; F44-P103 HydrophobicContact CD1-CG 3.92Å; F44-P103 HydrophobicContact CD2-CG 3.94Å; F44-P103 HydrophobicContact CE1-CB 4.09Å; F44-P103 HydrophobicContact CE1-CG 4.41Å; F44-P103 HydrophobicContact CE2-CG 4.43Å; F44-P103 HydrophobicContact CG-CB 4.13Å; F44-P103 HydrophobicContact CG-CG 3.65Å; I46-P103 HydrophobicContact CD1-CG 3.99Å; Y77-P103 HydrophobicContact CD1-CG 4.12Å
104L95.6Very high92.8Very high0 Ų046.7 Ų46.70%025%0.248CC..EExtended strand (participates in β ladder)trans-88.1119.8-177.6172.969.3000111.1F44 Y77 P79 E100 A101 G102 I106 I150 I160 A162F44-L104 HydrophobicContact CE2-CB 4.21Å; F44-L104 HydrophobicContact CE2-CD1 4.32Å; Y77-L104 HydrophobicContact CE1-CB 3.69Å; Y77-L104 HydrophobicContact CE1-CD2 4.08Å; P79-L104 HydrophobicContact CB-CD2 3.72Å; P79-L104 HydrophobicContact CG-CD1 4.17Å; P79-L104 HydrophobicContact CG-CD2 3.94Å; E100-L104 WeakPolarHBondContact CA-O 3.28Å; A101-L104 PolarHBondContact N-O 2.94Å; A101-L104 PolarHBondContact O-N 3.3Å; G102-L104 VanDerWaalsContact C-N 3.29Å; G102-L104 PolarHBondContact O-N 3.47Å; L104-I106 HydrophobicContact CD2-CD1 4.19Å; L104-I106 HydrophobicContact CD2-CG1 3.98Å; L104-I106 HydrophobicContact CG-CG1 3.94Å; L104-I150 HydrophobicContact CD2-CD1 4.07Å; L104-I160 HydrophobicContact CD1-CG2 4.2Å; L104-I160 WeakPolarHBondContact CD1-O 3.14Å; L104-A162 HydrophobicContact CD1-CB 3.84Å; L104-A162 HydrophobicContact CD2-CB 4.02Å; L104-A162 HydrophobicContact CG-CB 4.16Å
105T95.9Very high92.6Very high34 Ų3446.2 Ų46.221%0.20926%0.261CS..EExtended strand (participates in β ladder)trans-83.7126.4167.1-46.30000110.5F98 A162F98-T105 HydrophobicContact CD1-CG2 4.23Å; T105-A162 PolarHBondContact O-N 2.89Å
106I96.8Very high92.1Very high0 Ų045.2 Ų45.20%025%0.253CS..EExtended strand (participates in β ladder)trans-114.1125.6179.5-49.5177000108.1V85 A87 F98 A99 A101 L104 I148 A162V85-I106 HydrophobicContact CG2-CD1 3.67Å; A87-I106 HydrophobicContact CB-CD1 4.18Å; F98-I106 WeakPolarHBondContact CA-O 3.33Å; A99-I106 PolarHBondContact N-O 3.33Å; A99-I106 WeakPolarHBondContact O-CA 3.45Å; A99-I106 PolarHBondContact O-N 2.92Å; A101-I106 HydrophobicContact CB-CD1 3.9Å; L104-I106 HydrophobicContact CD2-CD1 4.19Å; L104-I106 HydrophobicContact CD2-CG1 3.98Å; L104-I106 HydrophobicContact CG-CG1 3.94Å; I106-I148 HydrophobicContact CD1-CD1 4.2Å; I106-I148 HydrophobicContact CG2-CD1 4.28Å; I106-I148 HydrophobicContact CG2-CG2 4.35Å; I106-A162 WeakPolarHBondContact CA-O 3.11Å; I106-A162 HydrophobicContact CB-CB 4.45Å; I106-A162 HydrophobicContact CG1-CB 4.08Å; I106-A162 HydrophobicContact CG2-CB 4.29Å
107F96.4Very high91.5Very high52 Ų5245.7 Ų45.723%0.22825%0.254CS..EExtended strand (participates in β ladder)trans-102.4128.9170.2177.6-109.2000110.3V95 F98 A162 V163 G164V95-F107 HydrophobicContact CG1-CZ 4.18Å; F98-F107 HydrophobicContact CD1-CB 4.2Å; F98-F107 AromaticContact CD1-CD2 3.87Å; F98-F107 HydrophobicContact CD1-CD2 3.87Å; F98-F107 HydrophobicContact CD2-CD2 4.35Å; F98-F107 HydrophobicContact CE1-CB 4.03Å; F98-F107 AromaticContact CE1-CD2 3.48Å; F98-F107 HydrophobicContact CE1-CD2 3.48Å; F98-F107 VanDerWaalsContact CE1-CD2 3.48Å; F98-F107 HydrophobicContact CE1-CE2 4.32Å; F98-F107 HydrophobicContact CE1-CG 4.08Å; F98-F107 HydrophobicContact CE2-CD2 4Å; F98-F107 HydrophobicContact CE2-CE2 4.14Å; F98-F107 HydrophobicContact CG-CD2 4.29Å; F98-F107 AromaticContact CZ-CD2 3.55Å; F98-F107 HydrophobicContact CZ-CD2 3.55Å; F98-F107 AromaticContact CZ-CE2 3.94Å; F98-F107 HydrophobicContact CZ-CE2 3.94Å; F98-F107 HydrophobicContact CZ-CG 4.46Å; F107-A162 PolarHBondContact N-O 3.22Å; F107-V163 WeakPolarHBondContact O-CA 3.45Å; F107-G164 PolarHBondContact O-N 3.16Å
108I94.8Very high90.8Very high0 Ų051 Ų510%028%0.277CS..EExtended strand (participates in β ladder)trans-111.2118.5172.3-56.5158.8000107.5G96 V97 V113 I146 I148 L166G96-I108 CarbonylContact C-O 3.45Å; G96-I108 WeakPolarHBondContact CA-O 3.39Å; V97-I108 PolarHBondContact N-O 3.1Å; V97-I108 PolarHBondContact O-N 3.41Å; I108-V113 HydrophobicContact CG2-CG2 3.56Å; I108-I146 HydrophobicContact CD1-CD1 3.77Å; I108-I148 HydrophobicContact CD1-CD1 3.62Å; I108-I148 HydrophobicContact CD1-CG1 3.87Å; I108-I148 HydrophobicContact CD1-CG2 3.96Å; I108-I148 HydrophobicContact CG1-CD1 4.38Å; I108-I148 HydrophobicContact CG1-CG2 4.01Å; I108-L166 HydrophobicContact CD1-CD1 4.23Å; I108-L166 HydrophobicContact CD1-CG 4.24Å; I108-L166 HydrophobicContact CG2-CG 4.49Å
109S93.1Very high89.8Confident25 Ų2549.6 Ų49.618%0.17527%0.271CS..EExtended strand (participates in β ladder)trans-70.1148.1174.8-176.20000110.6Y111 S112S109-Y111 PolarHBondContact O-N 3.5Å; S109-Y111 WeakPolarHBondContact OG-CD2 3.37Å; S109-Y111 PolarHBondContact OG-N 2.82Å; S109-S112 WeakPolarHBondContact O-CA 3.44Å; S109-S112 PolarHBondContact O-N 2.94Å
110K88.7Confident88.5Confident109 Ų10955 Ų5547%0.47430%0.297SS..G310 helixtrans-52.6-28171.471.4176.8-170.81720114V95 S112V95-K110 PolarHBondContact O-N 2.87Å; K110-S112 VanDerWaalsContact C-N 3.27Å; K110-S112 PolarHBondContact O-N 3.18Å
111Y90Very high86.8Confident179 Ų17954 Ų5470%0.70231%0.31SS*.G310 helixtrans-79.9-9.4178.5-56.3-67.2000113.3S109S109-Y111 PolarHBondContact O-N 3.5Å; S109-Y111 WeakPolarHBondContact OG-CD2 3.37Å; S109-Y111 PolarHBondContact OG-N 2.82Å
112S91.3Very high85Confident27 Ų2754.3 Ų54.319%0.18931%0.313CS..G310 helixtrans-108.120.8177.4-55.30000111.5S109 K110 T165 L166S109-S112 WeakPolarHBondContact O-CA 3.44Å; S109-S112 PolarHBondContact O-N 2.94Å; K110-S112 VanDerWaalsContact C-N 3.27Å; K110-S112 PolarHBondContact O-N 3.18Å; S112-T165 PolarHBondContact O-OG1 2.96Å; S112-L166 PolarHBondContact O-N 3.36Å
113V88.4Confident82.7Confident17 Ų1758.4 Ų58.410%0.10332%0.316CS..SBendtrans-120.1129.7173.9-1750000108.1I108 I117 F119 L166 M167I108-V113 HydrophobicContact CG2-CG2 3.56Å; V113-I117 HydrophobicContact CG1-CB 3.8Å; V113-I117 HydrophobicContact CG1-CD1 4.46Å; V113-I117 HydrophobicContact CG1-CG2 4.06Å; V113-F119 HydrophobicContact CB-CE2 4.03Å; V113-F119 HydrophobicContact CB-CZ 4.29Å; V113-F119 HydrophobicContact CG1-CE2 3.57Å; V113-F119 HydrophobicContact CG1-CZ 3.64Å; V113-F119 HydrophobicContact CG2-CE2 3.73Å; V113-F119 HydrophobicContact CG2-CZ 3.78Å; V113-L166 HydrophobicContact CG1-CD1 4.23Å; V113-L166 HydrophobicContact CG2-CD1 4.18Å; V113-M167 VanDerWaalsContact C-SD 3.58Å
114P87.2Confident80.5Confident30 Ų3060.7 Ų60.720%0.19533%0.328CS..  trans-68.8154176.929.2-34.7000111.4N116 I117 L166 M167P114-N116 WeakPolarHBondContact CB-OD1 3.33Å; P114-N116 VanDerWaalsContact CG-OD1 3.25Å; P114-N116 WeakPolarHBondContact CG-OD1 3.37Å; P114-N116 PolarHBondContact O-N 2.77Å; P114-N116 VanDerWaalsContact O-N 3.16Å; P114-I117 HydrophobicContact CG-CD1 3.83Å; P114-I117 HydrophobicContact CG-CG1 4.17Å; P114-I117 PolarHBondContact O-N 2.87Å; P114-I117 VanDerWaalsContact O-N 3.17Å; P114-L166 WeakPolarHBondContact CD-O 3.49Å; P114-M167 HydrophobicContact CB-SD 4.19Å
115S81.1Confident77.8Confident120 Ų12065.9 Ų65.984%0.83936%0.361SS*.THydrogen-bonded Turntrans-67-15.6-171.546.70000115I117S115-I117 VanDerWaalsContact C-N 3.33Å
116N80.5Confident75.1Confident74 Ų7470.7 Ų70.740%0.39639%0.39SS..THydrogen-bonded Turntrans-79.3-12.7176.663.4-30.6000113.5P114 T137 Q138P114-N116 WeakPolarHBondContact CB-OD1 3.33Å; P114-N116 VanDerWaalsContact CG-OD1 3.25Å; P114-N116 WeakPolarHBondContact CG-OD1 3.37Å; P114-N116 PolarHBondContact O-N 2.77Å; P114-N116 VanDerWaalsContact O-N 3.16Å; N116-T137 WeakPolarHBondContact O-CA 3.21Å; N116-Q138 PolarHBondContact O-N 2.83Å
117I77.9Confident72.2Confident14 Ų1477.7 Ų77.77%0.07243%0.427CS..EExtended strand (participates in β ladder)trans-100.4117.4178.5-59.6176.8000109.4V113 P114 S115 F119 Q138 V140 L166V113-I117 HydrophobicContact CG1-CB 3.8Å; V113-I117 HydrophobicContact CG1-CD1 4.46Å; V113-I117 HydrophobicContact CG1-CG2 4.06Å; P114-I117 HydrophobicContact CG-CD1 3.83Å; P114-I117 HydrophobicContact CG-CG1 4.17Å; P114-I117 PolarHBondContact O-N 2.87Å; P114-I117 VanDerWaalsContact O-N 3.17Å; S115-I117 VanDerWaalsContact C-N 3.33Å; I117-F119 HydrophobicContact CG2-CE1 4.1Å; I117-F119 HydrophobicContact CG2-CZ 4.02Å; I117-Q138 WeakPolarHBondContact CA-O 3.39Å; I117-V140 HydrophobicContact CG2-CG2 3.83Å; I117-L166 HydrophobicContact CD1-CD1 4.29Å
118K77Confident69.3Low111 Ų11178.4 Ų78.448%0.48345%0.45SS..EExtended strand (participates in β ladder)trans-103.7133.7176.1-70.1-178.7179.7172.80109.8T137 Q138 T139 V140K118-T137 HydrophobicContact CD-CG2 3.96Å; K118-T137 HydrophobicContact CG-CG2 4.2Å; K118-Q138 PolarHBondContact N-O 3.38Å; K118-T139 VanDerWaalsContact O-CA 3.3Å; K118-T139 WeakPolarHBondContact O-CA 3.41Å; K118-V140 PolarHBondContact O-N 2.84Å
119F75.4Confident66.6Low35 Ų3585.7 Ų85.715%0.15449%0.488CS..EExtended strand (participates in β ladder)trans-100.4124.7174.6-58.2-75.3000111.1V92 V97 V113 I117 V140 L166V92-F119 HydrophobicContact CG1-CB 3.48Å; V92-F119 VanDerWaalsContact CG1-CB 3.48Å; V92-F119 HydrophobicContact CG1-CG 4.28Å; V92-F119 HydrophobicContact CG2-CB 4.39Å; V97-F119 HydrophobicContact CB-CE1 4.37Å; V97-F119 HydrophobicContact CB-CZ 4.48Å; V97-F119 HydrophobicContact CG2-CD1 3.54Å; V97-F119 HydrophobicContact CG2-CD2 3.82Å; V97-F119 HydrophobicContact CG2-CE1 3.5Å; V97-F119 VanDerWaalsContact CG2-CE1 3.5Å; V97-F119 HydrophobicContact CG2-CE2 3.73Å; V97-F119 HydrophobicContact CG2-CG 3.72Å; V97-F119 HydrophobicContact CG2-CZ 3.58Å; V113-F119 HydrophobicContact CB-CE2 4.03Å; V113-F119 HydrophobicContact CB-CZ 4.29Å; V113-F119 HydrophobicContact CG1-CE2 3.57Å; V113-F119 HydrophobicContact CG1-CZ 3.64Å; V113-F119 HydrophobicContact CG2-CE2 3.73Å; V113-F119 HydrophobicContact CG2-CZ 3.78Å; I117-F119 HydrophobicContact CG2-CE1 4.1Å; I117-F119 HydrophobicContact CG2-CZ 4.02Å; F119-V140 WeakPolarHBondContact CA-O 3.4Å; F119-V140 HydrophobicContact CD1-CB 3.6Å; F119-V140 HydrophobicContact CD1-CG1 3.85Å; F119-V140 HydrophobicContact CD1-CG2 4.49Å; F119-V140 HydrophobicContact CE1-CB 3.73Å; F119-V140 HydrophobicContact CE1-CG1 3.83Å; F119-V140 HydrophobicContact CE1-CG2 4.2Å; F119-L166 HydrophobicContact CZ-CD1 4.34Å
120E67.7Low63.9Low114 Ų11490.8 Ų90.853%0.53351%0.513SS..THydrogen-bonded Turntrans-85.7122.7178.9-152.4171.7167.600109.6V140 Q141E120-V140 PolarHBondContact N-O 2.91Å; E120-Q141 HydrophobicContact CB-CG 4.14Å; E120-Q141 PolarHBondContact OE2-NE2 2.93Å
121G60.9Low61.9Low67 Ų6793.1 Ų93.169%0.69153%0.531SS*.THydrogen-bonded Turntrans118-19-179.800000115.1E123G121-E123 PolarHBondContact O-N 2.9Å
122A57.5Low59.7Low18 Ų1892.2 Ų92.215%0.14953%0.533CS..SBendtrans-77.2112.1157.600000106.3V92 K94 T124V92-A122 HydrophobicContact CG1-CB 4.05Å; K94-A122 HydrophobicContact CG-CB 4.5Å; A122-T124 PolarHBondContact O-N 2.97Å; A122-T124 PolarHBondContact O-OG1 2.76Å
123E46.1Very low57.6Low146 Ų14697.6 Ų97.668%0.68256%0.56SS**  trans-49.993.7171-61.7172.3162.300108.6K94 G121 T125K94-E123 IonicContact NZ-OE2 3.31Å; K94-E123 PolarHBondContact NZ-OE2 2.66Å; G121-E123 PolarHBondContact O-N 2.9Å; E123-T125 PolarHBondContact O-N 2.79Å
124T47.9Very low55.8Low102 Ų102106.1 Ų106.163%0.62660%0.598SS**  trans-86.998.2179.3-58.70000103.1A122 T126A122-T124 PolarHBondContact O-N 2.97Å; A122-T124 PolarHBondContact O-OG1 2.76Å; T124-T126 VanDerWaalsContact C-N 3.34Å; T124-T126 PolarHBondContact O-N 2.82Å
125T38.5Very low54Low110 Ų110112.4 Ų112.468%0.67563%0.625SS**  trans-48.6111.3152.440.90000105.7E123 D127E123-T125 PolarHBondContact O-N 2.79Å; T125-D127 PolarHBondContact O-N 3.08Å
126T39.4Very low52.9Low135 Ų135114.6 Ų114.683%0.82862%0.622SS**  trans-59.374.6173.846.90000109.2T124 G128T124-T126 VanDerWaalsContact C-N 3.34Å; T124-T126 PolarHBondContact O-N 2.82Å; T126-G128 VanDerWaalsContact C-N 3.3Å; T126-G128 PolarHBondContact O-N 2.99Å
127D36.3Very low52.2Low146 Ų146114.5 Ų114.578%0.78162%0.624SS**  trans-85.682.7166.4-87.3-14.5000107.7T125 L129T125-D127 PolarHBondContact O-N 3.08Å; D127-L129 PolarHBondContact O-N 3.29Å
128G35.2Very low52Low68 Ų68116.5 Ų116.570%0.70163%0.633SS**SBendtrans67.941.9135.500000119.2T126T126-G128 VanDerWaalsContact C-N 3.3Å; T126-G128 PolarHBondContact O-N 2.99Å
129L38.1Very low52.2Low153 Ų153115 Ų11580%0.80163%0.634SS**  trans-112.6111.9161.6-77.9156.4000108.9D127D127-L129 PolarHBondContact O-N 3.29Å
130N37.2Very low52.5Low132 Ų132113.4 Ų113.471%0.70663%0.626SS**  trans-50.7135.1-178.6-56.3-39.6000110.9E132N130-E132 HydrophobicContact CB-CB 4.37Å; N130-E132 HydrophobicContact CB-CG 4.29Å; N130-E132 PolarHBondContact O-N 2.87Å
131D45.4Very low53.4Low158 Ų158112.2 Ų112.285%0.84562%0.621SS**THydrogen-bonded Turntrans-68.342171.5-68.3-45.4000112.3
132E45.2Very low54.8Low160 Ų160113.3 Ų113.375%0.74861%0.61SS**THydrogen-bonded Turntrans-117-9.5-172.6-65.9-169.4163.700114.5N130N130-E132 HydrophobicContact CB-CB 4.37Å; N130-E132 HydrophobicContact CB-CG 4.29Å; N130-E132 PolarHBondContact O-N 2.87Å
133D45.6Very low56.3Low140 Ų140119 Ų11975%0.74963%0.634SS**  trans-109.289.1169.9-65.5-36.6000109.4E135D133-E135 PolarHBondContact O-N 3.34Å
134E50.8Low58.5Low195 Ų195114.8 Ų114.891%0.91162%0.616SS**  trans-65.635.6168.5-66.5-176.6158.500112.4E136E134-E136 PolarHBondContact O-N 2.94Å
135E50.9Low60.7Low162 Ų162118.4 Ų118.476%0.75762%0.618SS**SBendtrans-80.4100.6170.5-71.7-167.1168.800108.4D133 T137D133-E135 PolarHBondContact O-N 3.34Å; E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 3.4Å
136E56.8Low63.3Low166 Ų166113.2 Ų113.278%0.77659%0.586SS**  trans7.169.3170.9-68.4-176.517300115.3E134 Q138E134-E136 PolarHBondContact O-N 2.94Å; E136-Q138 PolarHBondContact O-N 2.87Å
137T65.9Low66Low72 Ų72111.4 Ų111.444%0.44256%0.564SS.*  trans-62.8110.9173.57.30000108.7N116 K118 E135N116-T137 WeakPolarHBondContact O-CA 3.21Å; K118-T137 HydrophobicContact CD-CG2 3.96Å; K118-T137 HydrophobicContact CG-CG2 4.2Å; E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 3.4Å
138Q74.2Confident68.8Low57 Ų57104.4 Ų104.427%0.26653%0.527SS..EExtended strand (participates in β ladder)trans-84.9118176.9-71-176.5-18.100109N116 I117 K118 E136 P173N116-Q138 PolarHBondContact O-N 2.83Å; I117-Q138 WeakPolarHBondContact CA-O 3.39Å; K118-Q138 PolarHBondContact N-O 3.38Å; E136-Q138 PolarHBondContact O-N 2.87Å; Q138-P173 HydrophobicContact CB-CG 3.78Å; Q138-P173 HydrophobicContact CG-CG 4.25Å; Q138-P173 VanDerWaalsContact OE1-CD 3.29Å
139T80.9Confident71.7Confident80 Ų80105.1 Ų105.149%0.49151%0.508SS..EExtended strand (participates in β ladder)trans-88.9133.4174.551.40000109.9K118K118-T139 VanDerWaalsContact O-CA 3.3Å; K118-T139 WeakPolarHBondContact O-CA 3.41Å
140V83Confident74.5Confident0 Ų097.9 Ų97.90%047%0.47CS..EExtended strand (participates in β ladder)trans-118.4124.8175.2174.70000109.5V89 I117 K118 F119 E120 D144 I146 P173V89-V140 HydrophobicContact CG2-CG1 3.7Å; I117-V140 HydrophobicContact CG2-CG2 3.83Å; K118-V140 PolarHBondContact O-N 2.84Å; F119-V140 WeakPolarHBondContact CA-O 3.4Å; F119-V140 HydrophobicContact CD1-CB 3.6Å; F119-V140 HydrophobicContact CD1-CG1 3.85Å; F119-V140 HydrophobicContact CD1-CG2 4.49Å; F119-V140 HydrophobicContact CE1-CB 3.73Å; F119-V140 HydrophobicContact CE1-CG1 3.83Å; F119-V140 HydrophobicContact CE1-CG2 4.2Å; E120-V140 PolarHBondContact N-O 2.91Å; V140-D144 HydrophobicContact CG1-CB 4.31Å; V140-I146 HydrophobicContact CG1-CG2 3.78Å; V140-I146 HydrophobicContact CG2-CG2 4.18Å; V140-P173 HydrophobicContact CG2-CB 4.12Å; V140-P173 HydrophobicContact CG2-CG 3.81Å
141Q85.5Confident77.4Confident89 Ų8995.2 Ų95.242%0.41646%0.455SS..  trans-109.3173.3178.1-60.2-169.8-18.600111.7V89 E120 D144V89-Q141 WeakPolarHBondContact CB-O 3.11Å; E120-Q141 HydrophobicContact CB-CG 4.14Å; E120-Q141 PolarHBondContact OE2-NE2 2.93Å; Q141-D144 PolarHBondContact N-OD2 2.91Å; Q141-D144 WeakPolarHBondContact O-CB 3.44Å; Q141-D144 PolarHBondContact O-N 3.24Å
142I89.5Confident79.7Confident90 Ų9088.8 Ų88.846%0.46243%0.427SS..THydrogen-bonded Turntrans-64143.7168.3-56.5174.3000108.2V92 D144V92-I142 HydrophobicContact CG2-CG1 4.39Å; I142-D144 PolarHBondContact O-N 3.33Å
143E91Very high82.1Confident139 Ų13984 Ų8465%0.6541%0.406SS*.THydrogen-bonded Turntrans74.1-4.5-172.8-55.1-61.1135.500116V89V89-E143 PolarHBondContact O-N 3.33Å
144D91.6Very high84.4Confident57 Ų5785.5 Ų85.531%0.30540%0.401SS..  trans-70.4147.1175.2-78.6-19.7000112.1I88 V89 V140 Q141 I142I88-D144 WeakPolarHBondContact CA-O 3.42Å; V89-D144 PolarHBondContact N-O 2.82Å; V140-D144 HydrophobicContact CG1-CB 4.31Å; Q141-D144 PolarHBondContact N-OD2 2.91Å; Q141-D144 WeakPolarHBondContact O-CB 3.44Å; Q141-D144 PolarHBondContact O-N 3.24Å; I142-D144 PolarHBondContact O-N 3.33Å
145R93.6Very high86.4Confident178 Ų17879.6 Ų79.667%0.67238%0.378SS*.EExtended strand (participates in β ladder)trans-87.3122.4173.6-68.1-178.4179.4177.10.8109.8A87 I88 C174A87-R145 WeakPolarHBondContact O-CA 3.49Å; I88-R145 HydrophobicContact CG1-CG 4.44Å; R145-C174 HydrophobicContact CB-CB 4.46Å; R145-C174 PolarHBondContact O-N 3.21Å
146I93.8Very high88.2Confident0 Ų076 Ų760%036%0.364CS..EExtended strand (participates in β ladder)trans-124.1143.3178.460.1167.1000111.1D86 A87 V89 A99 I108 V140 I148 G172D86-I146 WeakPolarHBondContact CA-O 3.46Å; A87-I146 PolarHBondContact N-O 2.97Å; A87-I146 PolarHBondContact O-N 2.99Å; V89-I146 HydrophobicContact CG2-CB 4.49Å; V89-I146 HydrophobicContact CG2-CD1 3.55Å; V89-I146 HydrophobicContact CG2-CG1 3.79Å; V89-I146 HydrophobicContact CG2-CG2 3.88Å; A99-I146 HydrophobicContact CB-CD1 3.99Å; A99-I146 HydrophobicContact CB-CG1 4.42Å; I108-I146 HydrophobicContact CD1-CD1 3.77Å; V140-I146 HydrophobicContact CG1-CG2 3.78Å; V140-I146 HydrophobicContact CG2-CG2 4.18Å; I146-I148 HydrophobicContact CD1-CD1 3.56Å; I146-I148 HydrophobicContact CD1-CG1 3.73Å; I146-I148 HydrophobicContact CG1-CD1 3.82Å; I146-I148 HydrophobicContact CG1-CG1 3.83Å; I146-G172 CarbonylContact C-O 3.54Å; I146-G172 WeakPolarHBondContact CA-O 3.5Å
147R95.5Very high89.3Confident97 Ų9772.6 Ų72.637%0.36636%0.364SS..EExtended strand (participates in β ladder)trans-96.3120.2173.4-177.9164.1-71155.85.7110.1V84 D86 L166 L171 G172V84-R147 HydrophobicContact CG1-CG 3.41Å; V84-R147 VanDerWaalsContact CG1-CG 3.41Å; D86-R147 IonicContact OD1-CZ 3.26Å; D86-R147 IonicContact OD1-NE 3.1Å; D86-R147 PolarHBondContact OD1-NE 3.37Å; D86-R147 IonicContact OD1-NH2 2.68Å; D86-R147 PolarHBondContact OD1-NH2 2.8Å; D86-R147 IonicContact OD2-NH2 3.45Å; D86-R147 PolarHBondContact OD2-NH2 2.83Å; D86-R147 VanDerWaalsContact OD2-NH2 3.12Å; R147-L166 WeakPolarHBondContact O-CD2 3.38Å; R147-L171 HydrophobicContact CG-CD2 3.92Å; R147-G172 PolarHBondContact N-O 2.78Å; R147-G172 PolarHBondContact O-N 3.22Å; R147-G172 VanDerWaalsContact O-N 3.08Å
148I95.3Very high90.3Very high0 Ų073.6 Ų73.60%037%0.374CS..EExtended strand (participates in β ladder)trans-126.1141.6-170.3-46.1167000109.7V84 V85 A87 A99 I106 I108 I146 L166V84-I148 CarbonylContact C-O 3.45Å; V84-I148 WeakPolarHBondContact CA-O 3.44Å; V85-I148 PolarHBondContact N-O 3.49Å; V85-I148 PolarHBondContact O-N 2.85Å; A87-I148 HydrophobicContact CB-CD1 3.62Å; A99-I148 HydrophobicContact CB-CD1 3.79Å; I106-I148 HydrophobicContact CD1-CD1 4.2Å; I106-I148 HydrophobicContact CG2-CD1 4.28Å; I106-I148 HydrophobicContact CG2-CG2 4.35Å; I108-I148 HydrophobicContact CD1-CD1 3.62Å; I108-I148 HydrophobicContact CD1-CG1 3.87Å; I108-I148 HydrophobicContact CD1-CG2 3.96Å; I108-I148 HydrophobicContact CG1-CD1 4.38Å; I108-I148 HydrophobicContact CG1-CG2 4.01Å; I146-I148 HydrophobicContact CD1-CD1 3.56Å; I146-I148 HydrophobicContact CD1-CG1 3.73Å; I146-I148 HydrophobicContact CG1-CD1 3.82Å; I146-I148 HydrophobicContact CG1-CG1 3.83Å; I148-L166 HydrophobicContact CB-CD2 4.45Å; I148-L166 HydrophobicContact CG1-CD2 4.14Å
149R96.8Very high91.1Very high83 Ų8373.1 Ų73.131%0.31337%0.374SS..EExtended strand (participates in β ladder)trans-96.6128.5167.3-173.1178.3-65.8172.51.4111V84 I151 G164 T165 D168 L171V84-R149 HydrophobicContact CG2-CB 4.09Å; V84-R149 HydrophobicContact CG2-CG 4.08Å; R149-I151 PolarHBondContact O-N 3.34Å; R149-G164 CarbonylContact O-C 3.47Å; R149-G164 WeakPolarHBondContact O-CA 3.14Å; R149-T165 HydrophobicContact CB-CG2 3.99Å; R149-T165 PolarHBondContact N-O 3.49Å; R149-T165 VanDerWaalsContact N-O 3.08Å; R149-T165 PolarHBondContact O-N 3.39Å; R149-D168 VanDerWaalsContact CD-OD2 3.31Å; R149-D168 WeakPolarHBondContact CD-OD2 3.45Å; R149-D168 VanDerWaalsContact CZ-CG 3.42Å; R149-D168 IonicContact CZ-OD1 3.12Å; R149-D168 IonicContact CZ-OD2 3.24Å; R149-D168 IonicContact NE-OD2 2.66Å; R149-D168 PolarHBondContact NE-OD2 3.05Å; R149-D168 IonicContact NH1-OD1 3.86Å; R149-D168 PolarHBondContact NH1-OD1 3.16Å; R149-D168 VanDerWaalsContact NH1-OD1 3.1Å; R149-D168 IonicContact NH1-OD2 3.96Å; R149-D168 PolarHBondContact NH1-OD2 3.17Å; R149-D168 IonicContact NH2-OD2 3.05Å; R149-L171 HydrophobicContact CB-CD1 3.74Å
150I96.8Very high91.8Very high0 Ų069.4 Ų69.40%035%0.351CS..EExtended strand (participates in β ladder)trans-76.6121.8176.9-60.2178.3000109.7P79 G82 E83 V85 L104 L153 A162P79-I150 HydrophobicContact CB-CD1 3.85Å; G82-I150 WeakPolarHBondContact CA-O 3.44Å; G82-I150 PolarHBondContact N-O 3.24Å; E83-I150 HydrophobicContact CB-CD1 4.46Å; E83-I150 PolarHBondContact O-N 2.97Å; V85-I150 HydrophobicContact CG1-CD1 4.2Å; V85-I150 HydrophobicContact CG2-CD1 4.13Å; V85-I150 HydrophobicContact CG2-CG1 4.15Å; L104-I150 HydrophobicContact CD2-CD1 4.07Å; I150-L153 HydrophobicContact CG2-CD2 3.86Å; I150-L153 HydrophobicContact CG2-CG 4.21Å; I150-A162 HydrophobicContact CG2-CB 4.19Å
151I96.4Very high92.4Very high76 Ų7673.1 Ų73.139%0.3937%0.367SS..EExtended strand (participates in β ladder)trans-95.6-34.5174.6-57171.8000111.4K81 R149 V163 T165K81-I151 WeakPolarHBondContact CD-O 3.48Å; K81-I151 WeakPolarHBondContact CE-O 3.09Å; K81-I151 WeakPolarHBondContact CG-O 3.27Å; R149-I151 PolarHBondContact O-N 3.34Å; I151-V163 PolarHBondContact N-O 2.84Å; I151-T165 HydrophobicContact CD1-CG2 3.48Å; I151-T165 VanDerWaalsContact CD1-CG2 3.48Å; I151-T165 HydrophobicContact CG1-CG2 3.58Å
152G95.5Very high92.9Very high24 Ų2469 Ų6925%0.24735%0.348CS..EExtended strand (participates in β ladder)trans-145.8150.9-171.700000112A162 V163G152-A162 WeakPolarHBondContact O-CA 3.46Å; G152-V163 PolarHBondContact N-O 2.69Å; G152-V163 PolarHBondContact O-N 3.21Å
153L95Very high93.2Very high60 Ų6067.9 Ų67.931%0.31435%0.346SS..EExtended strand (participates in β ladder)trans-125.1131.7173.6-63.7170.3000108.1P79 I150 I160 F161 A162P79-L153 HydrophobicContact CB-CD2 3.92Å; P79-L153 HydrophobicContact CG-CD1 4.39Å; P79-L153 HydrophobicContact CG-CD2 3.75Å; P79-L153 WeakPolarHBondContact O-CD1 3.37Å; I150-L153 HydrophobicContact CG2-CD2 3.86Å; I150-L153 HydrophobicContact CG2-CG 4.21Å; L153-I160 HydrophobicContact CD2-CG2 4.2Å; L153-F161 CarbonylContact C-O 3.57Å; L153-F161 WeakPolarHBondContact CA-O 3.48Å; L153-A162 HydrophobicContact CD2-CB 3.82Å
154R94.2Very high93.5Very high171 Ų17161.3 Ų61.365%0.64532%0.315SS*.EExtended strand (participates in β ladder)trans-111.7113.1169.8-178.8-177.1175.8-172.9-3.6107.5F161R154-F161 HydrophobicContact CB-CB 4.42Å; R154-F161 PolarHBondContact N-O 2.77Å; R154-F161 PolarHBondContact O-N 2.79Å
155V91.3Very high93.7Very high71 Ų7159 Ų5943%0.4330%0.303SS..EExtended strand (participates in β ladder)trans-91.7124.3176.4-177.90000108.2G40 I160G40-V155 VanDerWaalsContact CA-CG1 3.41Å; V155-I160 HydrophobicContact CG1-CG1 4.31Å; V155-I160 HydrophobicContact CG2-CG1 4.25Å
156D89Confident93.7Very high85 Ų8550.7 Ų50.746%0.45527%0.272SS..  trans-103.7179.3168.3-148.6-24.1000110.1S158 D159D156-S158 VanDerWaalsContact C-N 3.28Å; D156-S158 PolarHBondContact O-N 3.21Å; D156-D159 PolarHBondContact N-O 3Å
157A81.2Confident93.5Very high95 Ų9555.8 Ų55.879%0.78530%0.297SS*.SBendtrans-60.2-36.4-174.900000113.4
158S86.3Confident93.3Very high94 Ų9454.1 Ų54.166%0.65730%0.295SS*.SBendtrans-128.56.5-175.260.10000113.7C38 D156C38-S158 VanDerWaalsContact CB-O 3.27Å; C38-S158 WeakPolarHBondContact CB-O 3.27Å; D156-S158 VanDerWaalsContact C-N 3.28Å; D156-S158 PolarHBondContact O-N 3.21Å
159D91.8Very high93Very high47 Ų4760.7 Ų60.725%0.25133%0.33SS..  trans-153.6162.6-174.1-148.4-16.9000112.3F44 D156 F161F44-D159 WeakPolarHBondContact CE1-OD1 3.25Å; F44-D159 VanDerWaalsContact CZ-OD1 3.28Å; F44-D159 WeakPolarHBondContact CZ-OD1 3.19Å; D156-D159 PolarHBondContact N-O 3Å; D159-F161 HydrophobicContact CB-CE2 4.05Å; D159-F161 HydrophobicContact CB-CZ 4.32Å
160I94.1Very high92.6Very high1 Ų167.3 Ų67.31%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-128123.8174.5-61.8168.6000108C38 F44 P79 L104 L153 V155C38-I160 VanDerWaalsContact SG-CD1 3.53Å; C38-I160 VanDerWaalsContact SG-CG1 3.56Å; F44-I160 HydrophobicContact CE2-CB 3.87Å; F44-I160 HydrophobicContact CE2-CD1 4.32Å; F44-I160 HydrophobicContact CE2-CG1 4.47Å; F44-I160 HydrophobicContact CZ-CB 3.84Å; P79-I160 HydrophobicContact CG-CG2 4.12Å; L104-I160 HydrophobicContact CD1-CG2 4.2Å; L104-I160 WeakPolarHBondContact CD1-O 3.14Å; L153-I160 HydrophobicContact CD2-CG2 4.2Å; V155-I160 HydrophobicContact CG1-CG1 4.31Å; V155-I160 HydrophobicContact CG2-CG1 4.25Å
161F95.3Very high92.4Very high79 Ų7968.3 Ų68.335%0.34636%0.362SS..EExtended strand (participates in β ladder)trans-104144.8171.9-61.6-82.6000109.8L153 R154 D159L153-F161 CarbonylContact C-O 3.57Å; L153-F161 WeakPolarHBondContact CA-O 3.48Å; R154-F161 HydrophobicContact CB-CB 4.42Å; R154-F161 PolarHBondContact N-O 2.77Å; R154-F161 PolarHBondContact O-N 2.79Å; D159-F161 HydrophobicContact CB-CE2 4.05Å; D159-F161 HydrophobicContact CB-CZ 4.32Å
162A96.3Very high91.9Very high3 Ų364.8 Ų64.83%0.02535%0.345CS..EExtended strand (participates in β ladder)trans-115.3150.9175.200000111.7L104 T105 I106 F107 I150 G152 L153L104-A162 HydrophobicContact CD1-CB 3.84Å; L104-A162 HydrophobicContact CD2-CB 4.02Å; L104-A162 HydrophobicContact CG-CB 4.16Å; T105-A162 PolarHBondContact O-N 2.89Å; I106-A162 WeakPolarHBondContact CA-O 3.11Å; I106-A162 HydrophobicContact CB-CB 4.45Å; I106-A162 HydrophobicContact CG1-CB 4.08Å; I106-A162 HydrophobicContact CG2-CB 4.29Å; F107-A162 PolarHBondContact N-O 3.22Å; I150-A162 HydrophobicContact CG2-CB 4.19Å; G152-A162 WeakPolarHBondContact O-CA 3.46Å; L153-A162 HydrophobicContact CD2-CB 3.82Å
163V97Very high91.5Very high66 Ų6664.7 Ų64.740%0.434%0.34SS..EExtended strand (participates in β ladder)trans-112.1125166.9-178.20000107.9F107 I151 G152F107-V163 WeakPolarHBondContact O-CA 3.45Å; I151-V163 PolarHBondContact N-O 2.84Å; G152-V163 PolarHBondContact N-O 2.69Å; G152-V163 PolarHBondContact O-N 3.21Å
164G96.2Very high90.8Very high0 Ų064.5 Ų64.50%034%0.343CS..EExtended strand (participates in β ladder)trans-113.4169.1-17600000114.2F107 R149F107-G164 PolarHBondContact O-N 3.16Å; R149-G164 CarbonylContact O-C 3.47Å; R149-G164 WeakPolarHBondContact O-CA 3.14Å
165T95.3Very high89.4Confident10 Ų1065.4 Ų65.46%0.06137%0.368CS..EExtended strand (participates in β ladder)trans-138.1154.1172.6-174.90000111.7S112 R149 I151 M167 L171S112-T165 PolarHBondContact O-OG1 2.96Å; R149-T165 HydrophobicContact CB-CG2 3.99Å; R149-T165 PolarHBondContact N-O 3.49Å; R149-T165 VanDerWaalsContact N-O 3.08Å; R149-T165 PolarHBondContact O-N 3.39Å; I151-T165 HydrophobicContact CD1-CG2 3.48Å; I151-T165 VanDerWaalsContact CD1-CG2 3.48Å; I151-T165 HydrophobicContact CG1-CG2 3.58Å; T165-M167 WeakPolarHBondContact OG1-CB 3.4Å; T165-M167 WeakPolarHBondContact OG1-CG 3.44Å; T165-M167 PolarHBondContact OG1-N 2.64Å; T165-M167 VanDerWaalsContact OG1-N 3.1Å; T165-L171 WeakPolarHBondContact O-CD1 3.3Å
166L93.6Very high89.3Confident2 Ų265.2 Ų65.21%0.0136%0.364CS..  trans-116.88.2171.9-62.6176.2000112.2I108 S112 V113 P114 I117 F119 R147 I148 D168 L171I108-L166 HydrophobicContact CD1-CD1 4.23Å; I108-L166 HydrophobicContact CD1-CG 4.24Å; I108-L166 HydrophobicContact CG2-CG 4.49Å; S112-L166 PolarHBondContact O-N 3.36Å; V113-L166 HydrophobicContact CG1-CD1 4.23Å; V113-L166 HydrophobicContact CG2-CD1 4.18Å; P114-L166 WeakPolarHBondContact CD-O 3.49Å; I117-L166 HydrophobicContact CD1-CD1 4.29Å; F119-L166 HydrophobicContact CZ-CD1 4.34Å; R147-L166 WeakPolarHBondContact O-CD2 3.38Å; I148-L166 HydrophobicContact CB-CD2 4.45Å; I148-L166 HydrophobicContact CG1-CD2 4.14Å; L166-D168 VanDerWaalsContact C-N 3.28Å; L166-D168 PolarHBondContact O-N 3.42Å; L166-L171 HydrophobicContact CD2-CB 4.21Å
167M91.3Very high89.4Confident108 Ų10864.1 Ų64.153%0.53236%0.36SS..  trans-76.2-7.5-172.7-64.2-67.7-71.300115.2V113 P114 T165V113-M167 VanDerWaalsContact C-SD 3.58Å; P114-M167 HydrophobicContact CB-SD 4.19Å; T165-M167 WeakPolarHBondContact OG1-CB 3.4Å; T165-M167 WeakPolarHBondContact OG1-CG 3.44Å; T165-M167 PolarHBondContact OG1-N 2.64Å; T165-M167 VanDerWaalsContact OG1-N 3.1Å
168D90.5Very high89.8Confident62 Ų6262.4 Ų62.433%0.33234%0.336SS..SBendtrans-96.6158.5179.9-60.3-71.7000111.1R149 L166 L171R149-D168 VanDerWaalsContact CD-OD2 3.31Å; R149-D168 WeakPolarHBondContact CD-OD2 3.45Å; R149-D168 VanDerWaalsContact CZ-CG 3.42Å; R149-D168 IonicContact CZ-OD1 3.12Å; R149-D168 IonicContact CZ-OD2 3.24Å; R149-D168 IonicContact NE-OD2 2.66Å; R149-D168 PolarHBondContact NE-OD2 3.05Å; R149-D168 IonicContact NH1-OD1 3.86Å; R149-D168 PolarHBondContact NH1-OD1 3.16Å; R149-D168 VanDerWaalsContact NH1-OD1 3.1Å; R149-D168 IonicContact NH1-OD2 3.96Å; R149-D168 PolarHBondContact NH1-OD2 3.17Å; R149-D168 IonicContact NH2-OD2 3.05Å; L166-D168 VanDerWaalsContact C-N 3.28Å; L166-D168 PolarHBondContact O-N 3.42Å; D168-L171 HydrophobicContact CB-CD1 3.7Å; D168-L171 HydrophobicContact CB-CG 4.14Å; D168-L171 WeakPolarHBondContact O-CB 3.48Å; D168-L171 WeakPolarHBondContact O-CG 3.45Å; D168-L171 PolarHBondContact O-N 2.73Å
169D88.7Confident90Very high138 Ų13860.5 Ų60.574%0.73832%0.317SS*.THydrogen-bonded Turntrans-58.3145.5178.2-56.5-35.3000112.3L171D169-L171 PolarHBondContact O-N 2.83Å
170Y89.3Confident89.9Confident221 Ų22161.4 Ų61.487%0.86732%0.321SS*.THydrogen-bonded Turntrans62.217.7-179.5-50.7-78.9000115.3
171L91.3Very high89.6Confident22 Ų2265.4 Ų65.412%0.11534%0.342CS..  trans-95.3159.6166.2-56.5-173.3000110.4V84 R147 R149 T165 L166 D168 D169V84-L171 HydrophobicContact CG1-CD2 3.83Å; V84-L171 HydrophobicContact CG2-CD2 4.38Å; R147-L171 HydrophobicContact CG-CD2 3.92Å; R149-L171 HydrophobicContact CB-CD1 3.74Å; T165-L171 WeakPolarHBondContact O-CD1 3.3Å; L166-L171 HydrophobicContact CD2-CB 4.21Å; D168-L171 HydrophobicContact CB-CD1 3.7Å; D168-L171 HydrophobicContact CB-CG 4.14Å; D168-L171 WeakPolarHBondContact O-CB 3.48Å; D168-L171 WeakPolarHBondContact O-CG 3.45Å; D168-L171 PolarHBondContact O-N 2.73Å; D169-L171 PolarHBondContact O-N 2.83Å
172G86.8Confident89.2Confident2 Ų264.4 Ų64.42%0.02134%0.342CS..EExtended strand (participates in β ladder)trans120.1-163.9-177.800000113I146 R147I146-G172 CarbonylContact C-O 3.54Å; I146-G172 WeakPolarHBondContact CA-O 3.5Å; R147-G172 PolarHBondContact N-O 2.78Å; R147-G172 PolarHBondContact O-N 3.22Å; R147-G172 VanDerWaalsContact O-N 3.08Å
173P86.9Confident88.7Confident22 Ų2269.2 Ų69.214%0.14337%0.366CS..EExtended strand (participates in β ladder)trans-60.4137.1179.417.7-25.6000112.6Q138 V140 T175Q138-P173 HydrophobicContact CB-CG 3.78Å; Q138-P173 HydrophobicContact CG-CG 4.25Å; Q138-P173 VanDerWaalsContact OE1-CD 3.29Å; V140-P173 HydrophobicContact CG2-CB 4.12Å; V140-P173 HydrophobicContact CG2-CG 3.81Å; P173-T175 PolarHBondContact O-N 2.99Å
174C81.4Confident88Confident56 Ų5669.4 Ų69.438%0.37836%0.364SS..  trans-88.780.9174.5-66.60000109R145R145-C174 HydrophobicContact CB-CB 4.46Å; R145-C174 PolarHBondContact O-N 3.21Å
175T64.5Low87.2Confident190 Ų19075.7 Ų75.7100%1.16640%0.397SS*.  trans-78.80169.536.40000112.8P173P173-T175 PolarHBondContact O-N 2.99Å

Retrieved 175 of 175 residues in 34.1 ms (Link to these results)

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