A0A5K4EU38_SCHMA Loading...

SMI1_KNR4 domain-containing protein

AlphaFold DB (A0A3Q0KQG2), UniProt , Accession A0A5K4EU38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 281 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
1M78Confident90.3Very high140 Ų14051.4 Ų51.469%0.6925%0.247SC*.  0-53.50-167.1178.5-149.600111.5L3 K4 T5 L226M1-L3 PolarHBondContact O-N 3.2Å; M1-K4 PolarHBondContact O-N 3.46Å; M1-T5 PolarHBondContact O-N 3.2Å; M1-T5 PolarHBondContact O-OG1 3.31Å; M1-L226 HydrophobicContact CE-CB 4.09Å; M1-L226 HydrophobicContact CG-CB 4.16Å; M1-L226 HydrophobicContact CG-CD1 4.13Å; M1-L226 HydrophobicContact SD-CB 3.91Å; M1-L226 HydrophobicContact SD-CD1 3.54Å; M1-L226 VanDerWaalsContact SD-CD1 3.54Å; M1-L226 HydrophobicContact SD-CG 4.37Å
2F85.1Confident90.4Very high8 Ų850.8 Ų50.84%0.03525%0.245CC..Hα-helixtrans-53.2-47.3-178.9-65.8-79.5000114.4K4 T5 F6 F53 F162 I166 L226F2-K4 PolarHBondContact O-N 3.03Å; F2-K4 VanDerWaalsContact O-N 3.16Å; F2-T5 WeakPolarHBondContact O-CA 3.27Å; F2-T5 WeakPolarHBondContact O-CB 3.4Å; F2-T5 PolarHBondContact O-N 3.47Å; F2-F6 VanDerWaalsContact O-CD2 3.29Å; F2-F6 WeakPolarHBondContact O-CD2 3.33Å; F2-F6 PolarHBondContact O-N 3.49Å; F2-F53 HydrophobicContact CB-CD2 4.1Å; F2-F53 HydrophobicContact CD1-CD2 4.25Å; F2-F53 HydrophobicContact CD2-CB 4Å; F2-F53 HydrophobicContact CD2-CD2 4.1Å; F2-F53 HydrophobicContact CE2-CB 3.87Å; F2-F53 AromaticContact CG-CD2 3.91Å; F2-F53 HydrophobicContact CG-CD2 3.91Å; F2-F53 HydrophobicContact CZ-CB 4.34Å; F2-F162 HydrophobicContact CE1-CD1 4.4Å; F2-F162 AromaticContact CE1-CE1 3.91Å; F2-F162 HydrophobicContact CE1-CE1 3.91Å; F2-F162 HydrophobicContact CZ-CD1 4.22Å; F2-F162 AromaticContact CZ-CE1 3.97Å; F2-F162 HydrophobicContact CZ-CE1 3.97Å; F2-I166 HydrophobicContact CD1-CG1 4.5Å; F2-I166 HydrophobicContact CD1-CG2 4.18Å; F2-I166 HydrophobicContact CE1-CB 4.39Å; F2-I166 HydrophobicContact CE1-CG1 4.18Å; F2-I166 HydrophobicContact CE1-CG2 4.32Å; F2-L226 HydrophobicContact CD1-CD1 4.14Å; F2-L226 HydrophobicContact CD1-CD2 3.93Å; F2-L226 HydrophobicContact CE1-CD1 3.69Å; F2-L226 HydrophobicContact CE1-CD2 3.75Å; F2-L226 HydrophobicContact CE1-CG 4.39Å; F2-L226 HydrophobicContact CE2-CD1 4.48Å; F2-L226 HydrophobicContact CZ-CD1 3.88Å
3L88.1Confident90.7Very high54 Ų5446.9 Ų46.928%0.28323%0.227SC..Hα-helixtrans-54.6-40.7-178.6-172.564.6000112.8M1 F6 Q7 T26 T56M1-L3 PolarHBondContact O-N 3.2Å; L3-F6 PolarHBondContact O-N 3.25Å; L3-Q7 VanDerWaalsContact O-CG 3.3Å; L3-Q7 WeakPolarHBondContact O-CG 3.01Å; L3-Q7 PolarHBondContact O-N 3Å; L3-T26 HydrophobicContact CD1-CG2 3.24Å; L3-T56 HydrophobicContact CB-CG2 4.22Å
4K90Very high90.9Very high110 Ų11049.2 Ų49.248%0.47825%0.245SC..Hα-helixtrans-67.5-39.9177.7-175.953.1176155.50112M1 F2 F6 Q7 D8M1-K4 PolarHBondContact O-N 3.46Å; F2-K4 PolarHBondContact O-N 3.03Å; F2-K4 VanDerWaalsContact O-N 3.16Å; K4-F6 VanDerWaalsContact C-N 3.34Å; K4-F6 PolarHBondContact O-N 3.32Å; K4-Q7 PolarHBondContact O-N 2.9Å; K4-D8 WeakPolarHBondContact CE-OD1 3.44Å; K4-D8 IonicContact NZ-OD1 3.84Å; K4-D8 PolarHBondContact NZ-OD1 3.45Å; K4-D8 WeakPolarHBondContact O-CB 3.34Å; K4-D8 VanDerWaalsContact O-CG 3.25Å; K4-D8 PolarHBondContact O-N 2.77Å
5T90.2Very high91Very high6 Ų655.1 Ų55.14%0.03728%0.277CS..Hα-helixtrans-56.2-47.5173.4-58.40000111.5M1 F2 D8 L9 V170 L226 S228M1-T5 PolarHBondContact O-N 3.2Å; M1-T5 PolarHBondContact O-OG1 3.31Å; F2-T5 WeakPolarHBondContact O-CA 3.27Å; F2-T5 WeakPolarHBondContact O-CB 3.4Å; F2-T5 PolarHBondContact O-N 3.47Å; T5-D8 PolarHBondContact O-N 2.91Å; T5-L9 WeakPolarHBondContact O-CB 3.23Å; T5-L9 PolarHBondContact O-N 2.95Å; T5-V170 HydrophobicContact CG2-CG2 3.86Å; T5-L226 WeakPolarHBondContact CB-O 3.4Å; T5-L226 HydrophobicContact CG2-CD2 4.48Å; T5-L226 WeakPolarHBondContact CG2-O 3.33Å; T5-L226 PolarHBondContact OG1-O 3.31Å; T5-S228 WeakPolarHBondContact CG2-OG 3.46Å; T5-S228 PolarHBondContact O-OG 3.35Å
6F93.3Very high91.1Very high0 Ų055.9 Ų55.90%028%0.278CS..Hα-helixtrans-70.3-36.2-179.9-79.3-82.5000113.1F2 L3 K4 L9 K10 L24 I60 L62 I78 I166F2-F6 VanDerWaalsContact O-CD2 3.29Å; F2-F6 WeakPolarHBondContact O-CD2 3.33Å; F2-F6 PolarHBondContact O-N 3.49Å; L3-F6 PolarHBondContact O-N 3.25Å; K4-F6 VanDerWaalsContact C-N 3.34Å; K4-F6 PolarHBondContact O-N 3.32Å; F6-L9 PolarHBondContact O-N 3.11Å; F6-K10 WeakPolarHBondContact O-CB 3.39Å; F6-K10 PolarHBondContact O-N 3.48Å; F6-L24 HydrophobicContact CB-CD1 4.01Å; F6-L24 HydrophobicContact CB-CD2 4.16Å; F6-I60 HydrophobicContact CB-CD1 3.79Å; F6-I60 HydrophobicContact CD1-CD1 4.07Å; F6-I60 HydrophobicContact CD2-CD1 3.43Å; F6-I60 VanDerWaalsContact CD2-CD1 3.43Å; F6-I60 HydrophobicContact CE1-CG2 4.33Å; F6-I60 HydrophobicContact CE2-CD1 3.96Å; F6-I60 HydrophobicContact CE2-CG2 4.16Å; F6-I60 HydrophobicContact CG-CD1 3.49Å; F6-I60 VanDerWaalsContact CG-CD1 3.49Å; F6-I60 HydrophobicContact CG-CG1 4.44Å; F6-I60 HydrophobicContact CZ-CD1 4.47Å; F6-I60 HydrophobicContact CZ-CG2 3.96Å; F6-L62 HydrophobicContact CD1-CB 4.16Å; F6-L62 HydrophobicContact CD1-CD2 4.04Å; F6-I78 HydrophobicContact CE1-CB 4.13Å; F6-I78 HydrophobicContact CE1-CD1 4.03Å; F6-I78 HydrophobicContact CE1-CG2 3.76Å; F6-I78 HydrophobicContact CZ-CG2 4.05Å; F6-I166 HydrophobicContact CE2-CG2 4.09Å; F6-I166 HydrophobicContact CZ-CD1 4.14Å; F6-I166 HydrophobicContact CZ-CG2 4.15Å
7Q93.3Very high91Very high82 Ų8259.2 Ų59.238%0.38331%0.305SS..Hα-helixtrans-62-49.1171.2-73.3171.7-7.300111.4L3 K4 L9 K10 D11 L24L3-Q7 VanDerWaalsContact O-CG 3.3Å; L3-Q7 WeakPolarHBondContact O-CG 3.01Å; L3-Q7 PolarHBondContact O-N 3Å; K4-Q7 PolarHBondContact O-N 2.9Å; Q7-L9 VanDerWaalsContact C-N 3.27Å; Q7-L9 PolarHBondContact O-N 3.32Å; Q7-K10 WeakPolarHBondContact O-CB 3.21Å; Q7-K10 PolarHBondContact O-N 3.38Å; Q7-D11 PolarHBondContact O-N 3.45Å; Q7-D11 VanDerWaalsContact O-N 3.07Å; Q7-L24 HydrophobicContact CG-CD2 4.02Å
8D92.2Very high91Very high10 Ų1058.2 Ų58.25%0.05331%0.312CS..Hα-helixtrans-62.4-36.5178.2-69.7-14.9000111.4K4 T5 D11 I12K4-D8 WeakPolarHBondContact CE-OD1 3.44Å; K4-D8 IonicContact NZ-OD1 3.84Å; K4-D8 PolarHBondContact NZ-OD1 3.45Å; K4-D8 WeakPolarHBondContact O-CB 3.34Å; K4-D8 VanDerWaalsContact O-CG 3.25Å; K4-D8 PolarHBondContact O-N 2.77Å; T5-D8 PolarHBondContact O-N 2.91Å; D8-D11 PolarHBondContact O-N 2.68Å; D8-I12 WeakPolarHBondContact O-CD1 3.35Å; D8-I12 VanDerWaalsContact O-CG1 3.25Å; D8-I12 WeakPolarHBondContact O-CG1 3.18Å; D8-I12 PolarHBondContact O-N 2.86Å
9L93.4Very high91.2Very high0 Ų056.6 Ų56.60%030%0.304CS..Hα-helixtrans-66.3-44.5175.6177.360.2000111.6T5 F6 Q7 D11 I12 I13 L62 I78 V170 L173T5-L9 WeakPolarHBondContact O-CB 3.23Å; T5-L9 PolarHBondContact O-N 2.95Å; F6-L9 PolarHBondContact O-N 3.11Å; Q7-L9 VanDerWaalsContact C-N 3.27Å; Q7-L9 PolarHBondContact O-N 3.32Å; L9-D11 VanDerWaalsContact C-N 3.3Å; L9-D11 PolarHBondContact O-N 3.07Å; L9-I12 PolarHBondContact O-N 2.96Å; L9-I12 VanDerWaalsContact O-N 3.12Å; L9-I13 HydrophobicContact CD1-CD1 3.83Å; L9-I13 HydrophobicContact CD1-CG1 4.04Å; L9-I13 HydrophobicContact CD2-CD1 4.38Å; L9-I13 HydrophobicContact CG-CD1 3.74Å; L9-I13 HydrophobicContact CG-CG1 4.37Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 2.85Å; L9-L62 HydrophobicContact CB-CD2 4.36Å; L9-L62 HydrophobicContact CD2-CD2 3.38Å; L9-L62 HydrophobicContact CG-CD2 3.73Å; L9-I78 HydrophobicContact CD2-CD1 3.84Å; L9-V170 HydrophobicContact CD1-CG1 4.32Å; L9-V170 HydrophobicContact CD2-CB 4.31Å; L9-V170 HydrophobicContact CD2-CG1 4.32Å; L9-V170 HydrophobicContact CD2-CG2 3.98Å; L9-L173 HydrophobicContact CD1-CD2 3.59Å
10K95.3Very high91.2Very high70 Ų7059.9 Ų59.930%0.30431%0.313SS..Hα-helixtrans-54.3-48.5174.5-177.2-170.7179.4-178.70110.8F6 Q7 I12 I13 V14 V22 L24 L62F6-K10 WeakPolarHBondContact O-CB 3.39Å; F6-K10 PolarHBondContact O-N 3.48Å; Q7-K10 WeakPolarHBondContact O-CB 3.21Å; Q7-K10 PolarHBondContact O-N 3.38Å; K10-I12 VanDerWaalsContact C-N 3.25Å; K10-I12 PolarHBondContact O-N 3.44Å; K10-I13 PolarHBondContact O-N 3.45Å; K10-V14 HydrophobicContact CG-CG2 4.46Å; K10-V14 VanDerWaalsContact O-CG2 3.3Å; K10-V14 WeakPolarHBondContact O-CG2 3.46Å; K10-V14 PolarHBondContact O-N 3.48Å; K10-V22 HydrophobicContact CG-CG1 3.78Å; K10-L24 HydrophobicContact CD-CB 3.89Å; K10-L62 HydrophobicContact CB-CD1 4.11Å; K10-L62 HydrophobicContact CG-CD1 4.4Å
11D93.8Very high91.3Very high85 Ų8561.3 Ų61.346%0.45532%0.321SS..Hα-helixtrans-60.8-35.6179.5-67.3-18.1000112.1Q7 D8 L9 N15Q7-D11 PolarHBondContact O-N 3.45Å; Q7-D11 VanDerWaalsContact O-N 3.07Å; D8-D11 PolarHBondContact O-N 2.68Å; L9-D11 VanDerWaalsContact C-N 3.3Å; L9-D11 PolarHBondContact O-N 3.07Å; D11-N15 PolarHBondContact O-ND2 3.22Å
12I92.1Very high92.2Very high44 Ų4455.7 Ų55.723%0.22630%0.295CS..Hα-helixtrans-70.6-44.6176.8-67.7166.1000111.2D8 L9 K10 N15 R229 L232D8-I12 WeakPolarHBondContact O-CD1 3.35Å; D8-I12 VanDerWaalsContact O-CG1 3.25Å; D8-I12 WeakPolarHBondContact O-CG1 3.18Å; D8-I12 PolarHBondContact O-N 2.86Å; L9-I12 PolarHBondContact O-N 2.96Å; L9-I12 VanDerWaalsContact O-N 3.12Å; K10-I12 VanDerWaalsContact C-N 3.25Å; K10-I12 PolarHBondContact O-N 3.44Å; I12-N15 PolarHBondContact O-N 3.38Å; I12-R229 HydrophobicContact CD1-CG 4.21Å; I12-L232 HydrophobicContact CD1-CD1 3.59Å; I12-L232 HydrophobicContact CG2-CD1 4.04Å
13I94.1Very high92.7Very high1 Ų157.9 Ų57.91%0.00530%0.303CS..Hα-helixtrans-64.5-43.2-177.5-68.6168.5000111.1L9 K10 N15 K16 V19 V22 L62 W64 L173L9-I13 HydrophobicContact CD1-CD1 3.83Å; L9-I13 HydrophobicContact CD1-CG1 4.04Å; L9-I13 HydrophobicContact CD2-CD1 4.38Å; L9-I13 HydrophobicContact CG-CD1 3.74Å; L9-I13 HydrophobicContact CG-CG1 4.37Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 2.85Å; K10-I13 PolarHBondContact O-N 3.45Å; I13-N15 PolarHBondContact O-N 3.1Å; I13-N15 VanDerWaalsContact O-N 3.09Å; I13-K16 WeakPolarHBondContact O-CB 3.43Å; I13-K16 PolarHBondContact O-N 2.83Å; I13-V19 HydrophobicContact CG2-CG1 3.91Å; I13-V19 HydrophobicContact CG2-CG2 4.46Å; I13-V22 HydrophobicContact CB-CG1 4.38Å; I13-V22 HydrophobicContact CG2-CG1 4.06Å; I13-V22 HydrophobicContact CG2-CG2 3.86Å; I13-L62 HydrophobicContact CD1-CD2 4.09Å; I13-W64 HydrophobicContact CG2-CB 4.02Å; I13-W64 HydrophobicContact CG2-CD2 3.73Å; I13-W64 HydrophobicContact CG2-CE3 4.13Å; I13-W64 HydrophobicContact CG2-CG 3.68Å; I13-L173 HydrophobicContact CD1-CB 4.33Å; I13-L173 HydrophobicContact CG1-CB 4.37Å; I13-L173 HydrophobicContact CG1-CD2 4.31Å
14V94.2Very high93.1Very high79 Ų7957 Ų5748%0.47930%0.298SS..Hα-helixtrans-56.4-29.3178.8170.90000112.5K10 K16 V22K10-V14 HydrophobicContact CG-CG2 4.46Å; K10-V14 VanDerWaalsContact O-CG2 3.3Å; K10-V14 WeakPolarHBondContact O-CG2 3.46Å; K10-V14 PolarHBondContact O-N 3.48Å; V14-K16 VanDerWaalsContact C-N 3.35Å; V14-V22 HydrophobicContact CB-CG2 4.48Å; V14-V22 HydrophobicContact CG2-CB 3.64Å; V14-V22 HydrophobicContact CG2-CG1 4.02Å; V14-V22 HydrophobicContact CG2-CG2 3.64Å
15N92.5Very high93.4Very high137 Ų13757.2 Ų57.273%0.73330%0.299SS*.THydrogen-bonded Turntrans-86.60-178.9-71.4-52.9000113.9D11 I12 I13D11-N15 PolarHBondContact O-ND2 3.22Å; I12-N15 PolarHBondContact O-N 3.38Å; I13-N15 PolarHBondContact O-N 3.1Å; I13-N15 VanDerWaalsContact O-N 3.09Å
16K91.8Very high93.6Very high68 Ų6860 Ų6030%0.29632%0.316SS..SBendtrans-84.5144.7179.1-72.4-160.9178.7-72.70112.3I13 V14 V19 L173 Y198I13-K16 WeakPolarHBondContact O-CB 3.43Å; I13-K16 PolarHBondContact O-N 2.83Å; V14-K16 VanDerWaalsContact C-N 3.35Å; K16-V19 HydrophobicContact CB-CG2 3.65Å; K16-V19 WeakPolarHBondContact O-CB 3.47Å; K16-V19 PolarHBondContact O-N 3.39Å; K16-L173 HydrophobicContact CD-CD1 3.9Å; K16-Y198 HydrophobicContact CB-CD1 4.32Å; K16-Y198 HydrophobicContact CB-CE1 4.34Å; K16-Y198 HydrophobicContact CD-CD1 3.85Å
17P90.4Very high93.7Very high112 Ų11263.3 Ų63.373%0.72733%0.334SS*.THydrogen-bonded Turntrans-65141.4-178.726.6-34.1000111.9V19 Y198P17-V19 PolarHBondContact O-N 3.12Å; P17-V19 VanDerWaalsContact O-N 3.16Å; P17-Y198 WeakPolarHBondContact O-CE1 3.27Å
18G91.1Very high93.7Very high42 Ų4267 Ų6743%0.43335%0.351SS..THydrogen-bonded Turntrans71.7-0.7179.400000114.8S66 I67G18-S66 CarbonylContact O-C 3.55Å; G18-S66 WeakPolarHBondContact O-CA 3.42Å; G18-I67 PolarHBondContact O-N 3.3Å
19V94Very high93.9Very high27 Ų2769.9 Ų69.916%0.16437%0.37CS..EExtended strand (participates in β ladder)trans-72.5138.7174.2173.90000110.3I13 K16 P17 V22 W64 Y198I13-V19 HydrophobicContact CG2-CG1 3.91Å; I13-V19 HydrophobicContact CG2-CG2 4.46Å; K16-V19 HydrophobicContact CB-CG2 3.65Å; K16-V19 WeakPolarHBondContact O-CB 3.47Å; K16-V19 PolarHBondContact O-N 3.39Å; P17-V19 PolarHBondContact O-N 3.12Å; P17-V19 VanDerWaalsContact O-N 3.16Å; V19-V22 HydrophobicContact CG1-CG2 3.35Å; V19-W64 HydrophobicContact CG1-CE3 4.07Å; V19-W64 HydrophobicContact CG2-CE3 3.87Å; V19-W64 HydrophobicContact CG2-CZ3 3.76Å; V19-Y198 HydrophobicContact CG2-CD1 4.45Å; V19-Y198 HydrophobicContact CG2-CE1 3.66Å
20Y90.5Very high94Very high123 Ų12370.3 Ų70.348%0.48237%0.373SS..EExtended strand (participates in β ladder)trans-137.8145.5179.2-179.4-98.6000110Y65 I67 T72Y20-Y65 PolarHBondContact N-O 3.32Å; Y20-Y65 CarbonylContact O-C 3.36Å; Y20-Y65 WeakPolarHBondContact O-CA 3.44Å; Y20-Y65 WeakPolarHBondContact O-CB 3.35Å; Y20-Y65 PolarHBondContact O-N 2.89Å; Y20-I67 HydrophobicContact CD1-CD1 4.45Å; Y20-I67 HydrophobicContact CD2-CD1 3.55Å; Y20-I67 HydrophobicContact CD2-CG1 4.47Å; Y20-I67 HydrophobicContact CE2-CD1 4.35Å; Y20-I67 HydrophobicContact CG-CD1 3.61Å; Y20-I67 HydrophobicContact CG-CG1 4.04Å; Y20-T72 HydrophobicContact CD1-CG2 4.27Å; Y20-T72 HydrophobicContact CE1-CG2 4.48Å
21D93.3Very high94.1Very high90 Ų9069.4 Ų69.448%0.48138%0.376SS..EExtended strand (participates in β ladder)trans45.976.4174.2-166.719.1000115.1W64 Y65D21-W64 WeakPolarHBondContact O-CA 3.33Å; D21-Y65 HydrophobicContact CB-CD2 4.07Å
22V96.6Very high94.2Very high22 Ų2268.7 Ų68.713%0.13337%0.369CS..EExtended strand (participates in β ladder)trans-96.3118.8176.5-169.50000109.6K10 I13 V14 V19 L62 W64K10-V22 HydrophobicContact CG-CG1 3.78Å; I13-V22 HydrophobicContact CB-CG1 4.38Å; I13-V22 HydrophobicContact CG2-CG1 4.06Å; I13-V22 HydrophobicContact CG2-CG2 3.86Å; V14-V22 HydrophobicContact CB-CG2 4.48Å; V14-V22 HydrophobicContact CG2-CB 3.64Å; V14-V22 HydrophobicContact CG2-CG1 4.02Å; V14-V22 HydrophobicContact CG2-CG2 3.64Å; V19-V22 HydrophobicContact CG1-CG2 3.35Å; V22-L62 HydrophobicContact CG1-CD1 4.3Å; V22-W64 HydrophobicContact CB-CB 4.27Å; V22-W64 HydrophobicContact CG1-CB 4.12Å; V22-W64 HydrophobicContact CG2-CB 3.93Å
23Y96.7Very high94.4Very high54 Ų5473.4 Ų73.421%0.21239%0.39CS..EExtended strand (participates in β ladder)trans-123.9148.2179.367.8-91.9000111.7K25 E61 L62 G63 Y65Y23-K25 HydrophobicContact CD2-CD 4.36Å; Y23-K25 HydrophobicContact CD2-CG 4.13Å; Y23-K25 HydrophobicContact CE2-CD 4.38Å; Y23-E61 HydrophobicContact CE2-CG 4.02Å; Y23-E61 WeakPolarHBondContact CE2-OE1 3.45Å; Y23-L62 WeakPolarHBondContact O-CA 3.22Å; Y23-L62 WeakPolarHBondContact O-CD1 3.42Å; Y23-G63 WeakPolarHBondContact CD1-O 3.2Å; Y23-G63 PolarHBondContact N-O 3.44Å; Y23-G63 PolarHBondContact O-N 3.47Å; Y23-Y65 HydrophobicContact CE1-CE2 4.04Å
24L97.1Very high94.5Very high35 Ų3579.8 Ų79.818%0.18342%0.418CS..EExtended strand (participates in β ladder)trans-131117.2173.4175.262.7000107.6F6 Q7 K10 T26 I60 E61 L62F6-L24 HydrophobicContact CB-CD1 4.01Å; F6-L24 HydrophobicContact CB-CD2 4.16Å; Q7-L24 HydrophobicContact CG-CD2 4.02Å; K10-L24 HydrophobicContact CD-CB 3.89Å; L24-T26 HydrophobicContact CD1-CG2 4.15Å; L24-T26 HydrophobicContact CD2-CG2 4.37Å; L24-T26 HydrophobicContact CG-CG2 3.99Å; L24-I60 HydrophobicContact CD1-CD1 4.05Å; L24-I60 HydrophobicContact CD1-CG1 3.88Å; L24-E61 CarbonylContact C-O 3.6Å; L24-E61 WeakPolarHBondContact CA-O 3.38Å; L24-L62 HydrophobicContact CB-CD1 4.18Å; L24-L62 HydrophobicContact CD1-CB 3.98Å; L24-L62 HydrophobicContact CD1-CD1 4.31Å
25K96.2Very high94.5Very high114 Ų11476 Ų7650%0.49640%0.395SS..EExtended strand (participates in β ladder)trans-107.2130.1173.5-59171.7-169.4158.30108.6Y23 E61Y23-K25 HydrophobicContact CD2-CD 4.36Å; Y23-K25 HydrophobicContact CD2-CG 4.13Å; Y23-K25 HydrophobicContact CE2-CD 4.38Å; K25-E61 HydrophobicContact CB-CB 4.22Å; K25-E61 PolarHBondContact N-O 2.86Å; K25-E61 IonicContact NZ-OE1 3.66Å; K25-E61 PolarHBondContact NZ-OE1 3.25Å; K25-E61 PolarHBondContact O-N 3.41Å
26T94.3Very high94.7Very high64 Ų6474 Ų7439%0.39338%0.381SS..EExtended strand (participates in β ladder)trans-132.6146.3-178.354.50000107.9L3 L24 I60L3-T26 HydrophobicContact CD1-CG2 3.24Å; L24-T26 HydrophobicContact CD1-CG2 4.15Å; L24-T26 HydrophobicContact CD2-CG2 4.37Å; L24-T26 HydrophobicContact CG-CG2 3.99Å; T26-I60 HydrophobicContact CG2-CD1 3.88Å; T26-I60 HydrophobicContact CG2-CG1 3.95Å
27N94.7Very high94.9Very high70 Ų7075.6 Ų75.637%0.37439%0.392SS..  trans-111.6165.9179.2-62.7-52.6000110.2T57 D58N27-T57 PolarHBondContact N-OG1 2.87Å; N27-T57 PolarHBondContact O-OG1 3.25Å; N27-D58 HydrophobicContact CB-CB 4.04Å; N27-D58 VanDerWaalsContact CB-O 3.26Å; N27-D58 WeakPolarHBondContact CB-O 3.45Å; N27-D58 PolarHBondContact ND2-O 3.39Å
28E94.1Very high95.1Very high161 Ų16171.4 Ų71.475%0.75236%0.362SS*.PPolyproline II helixtrans-61.3148.6174.1-67.2-58.6145.200111.1D58E28-D58 WeakPolarHBondContact O-CB 3.45Å; E28-D58 PolarHBondContact O-N 2.93Å; E28-D58 VanDerWaalsContact O-N 3.07Å
29P95.8Very high95.3Very high69 Ų6970.5 Ų70.545%0.44835%0.347SS..PPolyproline II helixtrans-56.1146.6174.9-24.432.9000113.3L55P29-L55 WeakPolarHBondContact CB-O 3.39Å
30V96Very high95.3Very high10 Ų1073.9 Ų73.96%0.06137%0.371CS..PPolyproline II helixtrans-78.4137.5170.1-170.80000109.2K34 I35 Y54 D58 L83V30-K34 HydrophobicContact CG1-CB 3.6Å; V30-K34 HydrophobicContact CG1-CD 4.19Å; V30-I35 HydrophobicContact CB-CD1 4.4Å; V30-I35 HydrophobicContact CB-CG1 4.25Å; V30-I35 HydrophobicContact CG1-CD1 4.45Å; V30-I35 HydrophobicContact CG1-CG1 3.79Å; V30-Y54 WeakPolarHBondContact CB-O 3.12Å; V30-Y54 HydrophobicContact CG2-CD1 4.24Å; V30-Y54 PolarHBondContact N-O 3.13Å; V30-D58 HydrophobicContact CG2-CB 3.45Å; V30-D58 VanDerWaalsContact CG2-CB 3.45Å; V30-D58 VanDerWaalsContact CG2-CG 3.42Å; V30-D58 WeakPolarHBondContact CG2-OD1 3.37Å; V30-L83 HydrophobicContact CG1-CD2 3.8Å; V30-L83 HydrophobicContact CG2-CB 4.33Å
31S96.3Very high95.4Very high51 Ų5174.8 Ų74.836%0.35738%0.384SS..PPolyproline II helixtrans-70147.317262.60000111.5E33 K34 I35S31-E33 PolarHBondContact O-N 2.81Å; S31-K34 PolarHBondContact O-N 3.38Å; S31-K34 WeakPolarHBondContact OG-CG 3.11Å; S31-K34 PolarHBondContact OG-N 3.16Å; S31-I35 PolarHBondContact O-N 3.03Å
32E96Very high95.3Very high69 Ų6973.2 Ų73.232%0.32238%0.375SS..Hα-helixtrans-53.8-38.6176.1-177.962.5-154.200112.1K34 I35 Q36 K51 L55E32-K34 PolarHBondContact O-N 2.9Å; E32-I35 PolarHBondContact O-N 3.27Å; E32-Q36 WeakPolarHBondContact O-CG 3.47Å; E32-Q36 PolarHBondContact O-N 3.41Å; E32-Q36 PolarHBondContact OE1-NE2 3.3Å; E32-K51 VanDerWaalsContact CD-CE 3.48Å; E32-K51 WeakPolarHBondContact OE1-CE 3.45Å; E32-K51 IonicContact OE1-NZ 2.76Å; E32-K51 PolarHBondContact OE1-NZ 2.81Å; E32-K51 WeakPolarHBondContact OE2-CE 3.26Å; E32-K51 IonicContact OE2-NZ 3.92Å; E32-L55 HydrophobicContact CB-CD2 4.35Å
33E96.2Very high95Very high143 Ų14375.4 Ų75.467%0.66840%0.402SS*.Hα-helixtrans-60.1-43.1176.3-64174.8-178.700112.6S31 I35 Q36 I37S31-E33 PolarHBondContact O-N 2.81Å; E33-I35 VanDerWaalsContact C-N 3.32Å; E33-I35 PolarHBondContact O-N 2.78Å; E33-Q36 PolarHBondContact O-N 2.86Å; E33-I37 VanDerWaalsContact O-CG1 3.27Å; E33-I37 WeakPolarHBondContact O-CG1 3.39Å; E33-I37 PolarHBondContact O-N 3.25Å
34K96Very high94.7Very high135 Ų13574.3 Ų74.359%0.58740%0.4SS*.Hα-helixtrans-66-37.7178-79.9-178.6177.2-174.10111.5V30 S31 E32 I37 W38V30-K34 HydrophobicContact CG1-CB 3.6Å; V30-K34 HydrophobicContact CG1-CD 4.19Å; S31-K34 PolarHBondContact O-N 3.38Å; S31-K34 WeakPolarHBondContact OG-CG 3.11Å; S31-K34 PolarHBondContact OG-N 3.16Å; E32-K34 PolarHBondContact O-N 2.9Å; K34-I37 PolarHBondContact O-N 2.87Å; K34-W38 PolarHBondContact O-N 3.48Å
35I96Very high94.4Very high0 Ų078 Ų780%042%0.424CS..Hα-helixtrans-63.1-47.3174.7-63.4175.1000110V30 S31 E32 E33 I37 W38 E39 L46 K51 L55 L83V30-I35 HydrophobicContact CB-CD1 4.4Å; V30-I35 HydrophobicContact CB-CG1 4.25Å; V30-I35 HydrophobicContact CG1-CD1 4.45Å; V30-I35 HydrophobicContact CG1-CG1 3.79Å; S31-I35 PolarHBondContact O-N 3.03Å; E32-I35 PolarHBondContact O-N 3.27Å; E33-I35 VanDerWaalsContact C-N 3.32Å; E33-I35 PolarHBondContact O-N 2.78Å; I35-I37 VanDerWaalsContact C-N 3.32Å; I35-I37 PolarHBondContact O-N 2.91Å; I35-W38 WeakPolarHBondContact O-CB 3.38Å; I35-W38 PolarHBondContact O-N 3.16Å; I35-W38 VanDerWaalsContact O-N 3.11Å; I35-E39 HydrophobicContact CG2-CG 4.29Å; I35-E39 WeakPolarHBondContact O-CG 3.45Å; I35-E39 PolarHBondContact O-N 2.75Å; I35-L46 HydrophobicContact CG2-CD1 3.92Å; I35-K51 HydrophobicContact CD1-CG 4.22Å; I35-K51 HydrophobicContact CG2-CD 4.28Å; I35-K51 HydrophobicContact CG2-CG 4.27Å; I35-L55 HydrophobicContact CD1-CD2 3.71Å; I35-L55 HydrophobicContact CD1-CG 3.75Å; I35-L83 HydrophobicContact CG1-CD2 3.99Å
36Q95.4Very high94.3Very high94 Ų9472.9 Ų72.944%0.43940%0.402SS..Hα-helixtrans-62.1-38.3178.7-70.7172.82.900112.9E32 E33 E39 S40E32-Q36 WeakPolarHBondContact O-CG 3.47Å; E32-Q36 PolarHBondContact O-N 3.41Å; E32-Q36 PolarHBondContact OE1-NE2 3.3Å; E33-Q36 PolarHBondContact O-N 2.86Å; Q36-E39 PolarHBondContact O-N 2.98Å; Q36-S40 WeakPolarHBondContact O-CB 3.25Å; Q36-S40 PolarHBondContact O-N 2.83Å; Q36-S40 PolarHBondContact O-OG 3.4Å
37I95.4Very high94.2Very high102 Ų10271.5 Ų71.552%0.52339%0.394SS..Hα-helixtrans-62-46.9173.1-69.6164.7000109.9E33 K34 I35 E39 S40 L41E33-I37 VanDerWaalsContact O-CG1 3.27Å; E33-I37 WeakPolarHBondContact O-CG1 3.39Å; E33-I37 PolarHBondContact O-N 3.25Å; K34-I37 PolarHBondContact O-N 2.87Å; I35-I37 VanDerWaalsContact C-N 3.32Å; I35-I37 PolarHBondContact O-N 2.91Å; I37-E39 PolarHBondContact O-N 3.4Å; I37-S40 PolarHBondContact O-N 2.72Å; I37-L41 HydrophobicContact CG2-CD1 3.77Å; I37-L41 HydrophobicContact CG2-CG 4.24Å; I37-L41 WeakPolarHBondContact O-CB 3.37Å; I37-L41 VanDerWaalsContact O-CG 3.23Å; I37-L41 WeakPolarHBondContact O-CG 3.25Å; I37-L41 PolarHBondContact O-N 3.24Å
38W94.8Very high94.1Very high25 Ų2572.5 Ų72.510%0.09541%0.406CS..Hα-helixtrans-60.5-44.9177.3-174.8101.4000111.8K34 I35 S40 L41 N42 L46 L83 F86 Y124K34-W38 PolarHBondContact O-N 3.48Å; I35-W38 WeakPolarHBondContact O-CB 3.38Å; I35-W38 PolarHBondContact O-N 3.16Å; I35-W38 VanDerWaalsContact O-N 3.11Å; W38-S40 PolarHBondContact O-N 3.37Å; W38-L41 PolarHBondContact O-N 3.29Å; W38-N42 VanDerWaalsContact CE2-ND2 3.26Å; W38-N42 HydrophobicContact CH2-CB 4.37Å; W38-N42 HydrophobicContact CZ3-CB 4.37Å; W38-N42 WeakPolarHBondContact O-CB 3.3Å; W38-N42 PolarHBondContact O-N 3.17Å; W38-N42 VanDerWaalsContact O-N 3.1Å; W38-N42 PolarHBondContact O-ND2 2.71Å; W38-L46 HydrophobicContact CE3-CD1 4.3Å; W38-L46 HydrophobicContact CE3-CD2 4Å; W38-L46 HydrophobicContact CE3-CG 4.05Å; W38-L46 HydrophobicContact CH2-CD2 3.76Å; W38-L46 HydrophobicContact CZ3-CD1 4.45Å; W38-L46 HydrophobicContact CZ3-CD2 3.34Å; W38-L46 HydrophobicContact CZ3-CG 3.8Å; W38-L83 HydrophobicContact CB-CD1 4.33Å; W38-L83 HydrophobicContact CB-CD2 4.01Å; W38-L83 HydrophobicContact CB-CG 4.26Å; W38-L83 HydrophobicContact CD2-CD1 3.87Å; W38-L83 HydrophobicContact CE3-CD1 4.48Å; W38-L83 HydrophobicContact CG-CD1 3.76Å; W38-L83 HydrophobicContact CG-CD2 4.25Å; W38-L83 HydrophobicContact CG-CG 3.95Å; W38-L83 PolarHBondContact NE1-O 3.04Å; W38-F86 AromaticContact CH2-CD1 3.71Å; W38-F86 HydrophobicContact CH2-CD1 3.71Å; W38-F86 AromaticContact CH2-CE1 3.77Å; W38-F86 HydrophobicContact CH2-CE1 3.77Å; W38-F86 AromaticContact CZ2-CD1 3.32Å; W38-F86 HydrophobicContact CZ2-CD1 3.32Å; W38-F86 AromaticContact CZ2-CE1 3.87Å; W38-F86 HydrophobicContact CZ2-CE1 3.87Å; W38-F86 HydrophobicContact CZ2-CG 4.33Å; W38-F86 WeakPolarHBondContact CZ2-O 3.02Å; W38-F86 PolarHBondContact NE1-O 2.89Å; W38-Y124 AromaticContact CH2-CD1 3.93Å; W38-Y124 HydrophobicContact CH2-CD1 3.93Å; W38-Y124 AromaticContact CH2-CE1 3.77Å; W38-Y124 HydrophobicContact CH2-CE1 3.77Å; W38-Y124 HydrophobicContact CH2-CG 4.35Å; W38-Y124 AromaticContact CZ2-CD1 3.52Å; W38-Y124 HydrophobicContact CZ2-CD1 3.52Å; W38-Y124 AromaticContact CZ2-CE1 3.42Å; W38-Y124 HydrophobicContact CZ2-CE1 3.42Å; W38-Y124 VanDerWaalsContact CZ2-CE1 3.42Å; W38-Y124 HydrophobicContact CZ2-CG 4.32Å
39E95.1Very high94Very high23 Ų2365.6 Ų65.611%0.10738%0.375CS..Hα-helixtrans-59.5-46.1176.6-74.6-177.4134.200111.3I35 Q36 I37 N42 G43 L44 T45 L46 K51I35-E39 HydrophobicContact CG2-CG 4.29Å; I35-E39 WeakPolarHBondContact O-CG 3.45Å; I35-E39 PolarHBondContact O-N 2.75Å; Q36-E39 PolarHBondContact O-N 2.98Å; I37-E39 PolarHBondContact O-N 3.4Å; E39-N42 PolarHBondContact O-N 3.11Å; E39-G43 PolarHBondContact O-N 3Å; E39-L44 CarbonylContact C-O 3.36Å; E39-L44 WeakPolarHBondContact CA-O 3.47Å; E39-L44 WeakPolarHBondContact CB-O 3.21Å; E39-L44 WeakPolarHBondContact CG-O 3.39Å; E39-L44 PolarHBondContact O-N 3.39Å; E39-L44 VanDerWaalsContact O-N 3.12Å; E39-T45 WeakPolarHBondContact OE1-CA 3.36Å; E39-L46 HydrophobicContact CG-CG 4.24Å; E39-L46 PolarHBondContact OE1-N 3.44Å; E39-K51 IonicContact OE2-NZ 2.77Å
40S94.6Very high93.9Very high98 Ų9862.3 Ų62.369%0.68535%0.353SS*.Hα-helixtrans-65.3-41.9179.1-57.60000112.5Q36 I37 W38 N42 G43Q36-S40 WeakPolarHBondContact O-CB 3.25Å; Q36-S40 PolarHBondContact O-N 2.83Å; Q36-S40 PolarHBondContact O-OG 3.4Å; I37-S40 PolarHBondContact O-N 2.72Å; W38-S40 PolarHBondContact O-N 3.37Å; S40-N42 VanDerWaalsContact C-N 3.29Å; S40-N42 PolarHBondContact O-N 3.05Å; S40-G43 PolarHBondContact O-N 2.98Å
41L93.7Very high93.8Very high142 Ų14263.8 Ų63.874%0.74336%0.359SS*.Hα-helixtrans-65.7-32.9178.9-75173.2000112.6I37 W38I37-L41 HydrophobicContact CG2-CD1 3.77Å; I37-L41 HydrophobicContact CG2-CG 4.24Å; I37-L41 WeakPolarHBondContact O-CB 3.37Å; I37-L41 VanDerWaalsContact O-CG 3.23Å; I37-L41 WeakPolarHBondContact O-CG 3.25Å; I37-L41 PolarHBondContact O-N 3.24Å; W38-L41 PolarHBondContact O-N 3.29Å
42N90.2Very high93.7Very high57 Ų5765.6 Ų65.631%0.30537%0.365SS..Hα-helixtrans-95.1-10.6-178.6-72.1-76.9000113.3W38 E39 S40 L44 Y124W38-N42 VanDerWaalsContact CE2-ND2 3.26Å; W38-N42 HydrophobicContact CH2-CB 4.37Å; W38-N42 HydrophobicContact CZ3-CB 4.37Å; W38-N42 WeakPolarHBondContact O-CB 3.3Å; W38-N42 PolarHBondContact O-N 3.17Å; W38-N42 VanDerWaalsContact O-N 3.1Å; W38-N42 PolarHBondContact O-ND2 2.71Å; E39-N42 PolarHBondContact O-N 3.11Å; S40-N42 VanDerWaalsContact C-N 3.29Å; S40-N42 PolarHBondContact O-N 3.05Å; N42-L44 VanDerWaalsContact C-N 3.26Å; N42-L44 HydrophobicContact CB-CD1 4.41Å; N42-L44 PolarHBondContact O-N 3.18Å; N42-Y124 WeakPolarHBondContact CB-OH 3.29Å; N42-Y124 VanDerWaalsContact CG-OH 3.26Å; N42-Y124 WeakPolarHBondContact OD1-CE1 3.25Å; N42-Y124 PolarHBondContact OD1-OH 2.92Å
43G90.1Very high93.7Very high67 Ų6762.3 Ų62.369%0.69135%0.349SS*.THydrogen-bonded Turntrans65.329.3-175.800000113.1E39 S40E39-G43 PolarHBondContact O-N 3Å; S40-G43 PolarHBondContact O-N 2.98Å
44L90.5Very high93.7Very high32 Ų3255.5 Ų55.517%0.16832%0.318CS..  trans-133.5155.4-174.1-65.4171.4000110.7E39 N42 I122 Y124 F139E39-L44 CarbonylContact C-O 3.36Å; E39-L44 WeakPolarHBondContact CA-O 3.47Å; E39-L44 WeakPolarHBondContact CB-O 3.21Å; E39-L44 WeakPolarHBondContact CG-O 3.39Å; E39-L44 PolarHBondContact O-N 3.39Å; E39-L44 VanDerWaalsContact O-N 3.12Å; N42-L44 VanDerWaalsContact C-N 3.26Å; N42-L44 HydrophobicContact CB-CD1 4.41Å; N42-L44 PolarHBondContact O-N 3.18Å; L44-I122 HydrophobicContact CD1-CG2 3.78Å; L44-I122 HydrophobicContact CD2-CG2 4.41Å; L44-Y124 HydrophobicContact CD1-CD2 4.19Å; L44-Y124 HydrophobicContact CD1-CE2 3.23Å; L44-F139 HydrophobicContact CD1-CD2 4.42Å; L44-F139 HydrophobicContact CD1-CG 4.35Å; L44-F139 HydrophobicContact CD2-CB 4.31Å
45T91.8Very high93.7Very high112 Ų11252.1 Ų52.169%0.68731%0.305SS*.  trans-108.5126.8171.5-53.30000108.9E39E39-T45 WeakPolarHBondContact OE1-CA 3.36Å
46L92.5Very high93.6Very high7 Ų754.1 Ų54.14%0.03732%0.318CS..  trans-66.2142.5175.5-69.8-178.6000109.8I35 W38 E39 L50 K51 Y54 L83 F86 F139I35-L46 HydrophobicContact CG2-CD1 3.92Å; W38-L46 HydrophobicContact CE3-CD1 4.3Å; W38-L46 HydrophobicContact CE3-CD2 4Å; W38-L46 HydrophobicContact CE3-CG 4.05Å; W38-L46 HydrophobicContact CH2-CD2 3.76Å; W38-L46 HydrophobicContact CZ3-CD1 4.45Å; W38-L46 HydrophobicContact CZ3-CD2 3.34Å; W38-L46 HydrophobicContact CZ3-CG 3.8Å; E39-L46 HydrophobicContact CG-CG 4.24Å; E39-L46 PolarHBondContact OE1-N 3.44Å; L46-L50 HydrophobicContact CD2-CD2 3.98Å; L46-K51 HydrophobicContact CB-CB 4.35Å; L46-Y54 HydrophobicContact CD1-CD2 4.2Å; L46-L83 HydrophobicContact CD1-CD1 4.17Å; L46-F86 HydrophobicContact CD2-CD1 4.44Å; L46-F86 HydrophobicContact CD2-CE1 3.89Å; L46-F139 HydrophobicContact CD2-CZ 4.19Å
47P92.7Very high93.6Very high35 Ų3549.7 Ų49.723%0.22730%0.297CS..  trans-58.1145.1168.9-19.232.9000110D49 L50 K51 F137 F139P47-D49 WeakPolarHBondContact CB-OD1 3.45Å; P47-D49 PolarHBondContact O-N 3.38Å; P47-L50 HydrophobicContact CB-CB 4.48Å; P47-L50 PolarHBondContact O-N 2.84Å; P47-L50 VanDerWaalsContact O-N 3.11Å; P47-K51 PolarHBondContact O-N 2.79Å; P47-F137 HydrophobicContact CB-CZ 4.37Å; P47-F137 HydrophobicContact CG-CE1 3.58Å; P47-F137 HydrophobicContact CG-CE2 4.26Å; P47-F137 HydrophobicContact CG-CZ 3.44Å; P47-F137 VanDerWaalsContact CG-CZ 3.44Å; P47-F139 HydrophobicContact CG-CE1 4.19Å; P47-F139 HydrophobicContact CG-CZ 4.48Å
48S92.2Very high93.6Very high90 Ų9046.3 Ų46.363%0.62928%0.28SS*.Hα-helixtrans-55.5-38.7-175.358.50000113.1K51 D52S48-K51 PolarHBondContact O-N 2.93Å; S48-D52 WeakPolarHBondContact O-CB 3.22Å; S48-D52 PolarHBondContact O-N 3.05Å
49D92.6Very high93.6Very high17 Ų1745.2 Ų45.29%0.09128%0.276CS..Hα-helixtrans-71.3-34.3-17961.5-16.9000113.2P47 F53 T161 F162 Q163P47-D49 WeakPolarHBondContact CB-OD1 3.45Å; P47-D49 PolarHBondContact O-N 3.38Å; D49-F53 PolarHBondContact O-N 3.33Å; D49-T161 VanDerWaalsContact OD2-CB 3.3Å; D49-T161 WeakPolarHBondContact OD2-CB 3.37Å; D49-T161 PolarHBondContact OD2-OG1 2.81Å; D49-F162 PolarHBondContact OD2-N 3.09Å; D49-F162 VanDerWaalsContact OD2-N 3.09Å; D49-Q163 HydrophobicContact CB-CB 4.15Å; D49-Q163 WeakPolarHBondContact OD2-CB 3.34Å; D49-Q163 PolarHBondContact OD2-N 3.22Å
50L93.6Very high93.6Very high0 Ų044.3 Ų44.30%027%0.272CS..Hα-helixtrans-73-37.5172.3-176.157.2000111.4L46 P47 F53 Y54 F86 L126 F137 F162L46-L50 HydrophobicContact CD2-CD2 3.98Å; P47-L50 HydrophobicContact CB-CB 4.48Å; P47-L50 PolarHBondContact O-N 2.84Å; P47-L50 VanDerWaalsContact O-N 3.11Å; L50-F53 HydrophobicContact CD1-CD1 4.37Å; L50-F53 WeakPolarHBondContact O-CB 3.16Å; L50-F53 PolarHBondContact O-N 2.92Å; L50-Y54 HydrophobicContact CD1-CD2 4.09Å; L50-Y54 HydrophobicContact CD1-CE2 3.53Å; L50-Y54 HydrophobicContact CD2-CE2 4.36Å; L50-Y54 HydrophobicContact CG-CD2 4.11Å; L50-Y54 HydrophobicContact CG-CE2 3.73Å; L50-Y54 VanDerWaalsContact O-CD2 3.25Å; L50-Y54 WeakPolarHBondContact O-CD2 3.45Å; L50-Y54 PolarHBondContact O-N 3.07Å; L50-Y54 VanDerWaalsContact O-N 3.13Å; L50-F86 HydrophobicContact CD2-CE1 4.05Å; L50-F86 HydrophobicContact CD2-CZ 3.85Å; L50-L126 HydrophobicContact CD1-CD1 4.21Å; L50-F137 HydrophobicContact CD2-CD2 4.49Å; L50-F162 HydrophobicContact CB-CB 4.2Å; L50-F162 HydrophobicContact CB-CD1 4.41Å; L50-F162 HydrophobicContact CB-CG 4.26Å; L50-F162 HydrophobicContact CD1-CD1 4.16Å; L50-F162 HydrophobicContact CD1-CD2 3.8Å; L50-F162 HydrophobicContact CD1-CE1 4.3Å; L50-F162 HydrophobicContact CD1-CE2 3.93Å; L50-F162 HydrophobicContact CD1-CG 3.9Å; L50-F162 HydrophobicContact CD1-CZ 4.17Å
51K94.7Very high93.7Very high41 Ų4141.1 Ų41.118%0.17825%0.247CC..Hα-helixtrans-62.4-48.4173.1-176.4164.8-174164.20111.5E32 I35 E39 L46 P47 S48 F53 Y54 L55E32-K51 VanDerWaalsContact CD-CE 3.48Å; E32-K51 WeakPolarHBondContact OE1-CE 3.45Å; E32-K51 IonicContact OE1-NZ 2.76Å; E32-K51 PolarHBondContact OE1-NZ 2.81Å; E32-K51 WeakPolarHBondContact OE2-CE 3.26Å; E32-K51 IonicContact OE2-NZ 3.92Å; I35-K51 HydrophobicContact CD1-CG 4.22Å; I35-K51 HydrophobicContact CG2-CD 4.28Å; I35-K51 HydrophobicContact CG2-CG 4.27Å; E39-K51 IonicContact OE2-NZ 2.77Å; L46-K51 HydrophobicContact CB-CB 4.35Å; P47-K51 PolarHBondContact O-N 2.79Å; S48-K51 PolarHBondContact O-N 2.93Å; K51-F53 PolarHBondContact O-N 2.9Å; K51-Y54 PolarHBondContact O-N 2.91Å; K51-Y54 VanDerWaalsContact O-N 3.16Å; K51-L55 HydrophobicContact CG-CD1 4.1Å; K51-L55 HydrophobicContact CG-CG 4.5Å; K51-L55 WeakPolarHBondContact O-CG 3.21Å; K51-L55 PolarHBondContact O-N 3.22Å
52D94.3Very high93.8Very high89 Ų8934.4 Ų34.448%0.47621%0.211SC..Hα-helixtrans-58.1-33.8175.4-73.7-15.4000112.4S48 T56S48-D52 WeakPolarHBondContact O-CB 3.22Å; S48-D52 PolarHBondContact O-N 3.05Å; D52-T56 PolarHBondContact O-N 2.97Å; D52-T56 PolarHBondContact O-OG1 2.88Å
53F95.4Very high94.1Very high0 Ų031.8 Ų31.80%020%0.197CC..Hα-helixtrans-64.3-52.7173.7170.3-95.9000111.9F2 D49 L50 K51 L55 T56 T57 I60 I80 F162F2-F53 HydrophobicContact CB-CD2 4.1Å; F2-F53 HydrophobicContact CD1-CD2 4.25Å; F2-F53 HydrophobicContact CD2-CB 4Å; F2-F53 HydrophobicContact CD2-CD2 4.1Å; F2-F53 HydrophobicContact CE2-CB 3.87Å; F2-F53 AromaticContact CG-CD2 3.91Å; F2-F53 HydrophobicContact CG-CD2 3.91Å; F2-F53 HydrophobicContact CZ-CB 4.34Å; D49-F53 PolarHBondContact O-N 3.33Å; L50-F53 HydrophobicContact CD1-CD1 4.37Å; L50-F53 WeakPolarHBondContact O-CB 3.16Å; L50-F53 PolarHBondContact O-N 2.92Å; K51-F53 PolarHBondContact O-N 2.9Å; F53-L55 VanDerWaalsContact C-N 3.3Å; F53-L55 PolarHBondContact O-N 2.82Å; F53-T56 CarbonylContact O-C 3.58Å; F53-T56 WeakPolarHBondContact O-CA 3.44Å; F53-T56 WeakPolarHBondContact O-CB 3.3Å; F53-T56 PolarHBondContact O-N 3.01Å; F53-T57 HydrophobicContact CD2-CG2 4.02Å; F53-T57 HydrophobicContact CE1-CG2 4.39Å; F53-T57 HydrophobicContact CE2-CG2 3.48Å; F53-T57 VanDerWaalsContact CE2-CG2 3.48Å; F53-T57 HydrophobicContact CZ-CG2 3.69Å; F53-T57 PolarHBondContact O-N 2.89Å; F53-I60 HydrophobicContact CE2-CB 4.44Å; F53-I60 HydrophobicContact CE2-CG2 3.96Å; F53-I60 HydrophobicContact CZ-CB 4.22Å; F53-I60 HydrophobicContact CZ-CG2 3.83Å; F53-I80 HydrophobicContact CD1-CG2 4.4Å; F53-I80 HydrophobicContact CE1-CB 4.08Å; F53-I80 HydrophobicContact CE1-CG2 3.57Å; F53-I80 HydrophobicContact CZ-CB 3.78Å; F53-I80 HydrophobicContact CZ-CG1 4.2Å; F53-I80 HydrophobicContact CZ-CG2 3.8Å; F53-F162 HydrophobicContact CB-CD1 4.27Å; F53-F162 HydrophobicContact CB-CE1 3.49Å; F53-F162 VanDerWaalsContact CB-CE1 3.49Å; F53-F162 HydrophobicContact CB-CZ 4.08Å; F53-F162 HydrophobicContact CD1-CE1 4.24Å; F53-F162 AromaticContact CD1-CZ 3.94Å; F53-F162 HydrophobicContact CD1-CZ 3.94Å; F53-F162 AromaticContact CD2-CE1 3.79Å; F53-F162 HydrophobicContact CD2-CE1 3.79Å; F53-F162 AromaticContact CD2-CZ 3.76Å; F53-F162 HydrophobicContact CD2-CZ 3.76Å; F53-F162 HydrophobicContact CE1-CZ 4.34Å; F53-F162 HydrophobicContact CE2-CZ 4.17Å; F53-F162 AromaticContact CG-CE1 3.57Å; F53-F162 HydrophobicContact CG-CE1 3.57Å; F53-F162 AromaticContact CG-CZ 3.64Å; F53-F162 HydrophobicContact CG-CZ 3.64Å; F53-F162 HydrophobicContact CZ-CZ 4.45Å
54Y96.3Very high94.5Very high0 Ų028.7 Ų28.70%017%0.165CC..Hα-helixtrans-65.6-32.3179.4-72.4-61000113V30 L46 L50 K51 T56 T57 N81 L83V30-Y54 WeakPolarHBondContact CB-O 3.12Å; V30-Y54 HydrophobicContact CG2-CD1 4.24Å; V30-Y54 PolarHBondContact N-O 3.13Å; L46-Y54 HydrophobicContact CD1-CD2 4.2Å; L50-Y54 HydrophobicContact CD1-CD2 4.09Å; L50-Y54 HydrophobicContact CD1-CE2 3.53Å; L50-Y54 HydrophobicContact CD2-CE2 4.36Å; L50-Y54 HydrophobicContact CG-CD2 4.11Å; L50-Y54 HydrophobicContact CG-CE2 3.73Å; L50-Y54 VanDerWaalsContact O-CD2 3.25Å; L50-Y54 WeakPolarHBondContact O-CD2 3.45Å; L50-Y54 PolarHBondContact O-N 3.07Å; L50-Y54 VanDerWaalsContact O-N 3.13Å; K51-Y54 PolarHBondContact O-N 2.91Å; K51-Y54 VanDerWaalsContact O-N 3.16Å; Y54-T56 PolarHBondContact O-N 3.04Å; Y54-T57 WeakPolarHBondContact CA-O 3.18Å; Y54-N81 PolarHBondContact OH-O 3.41Å; Y54-L83 HydrophobicContact CD1-CB 4.07Å; Y54-L83 HydrophobicContact CD2-CD1 4.12Å; Y54-L83 HydrophobicContact CE1-CB 4.04Å; Y54-L83 HydrophobicContact CE2-CD1 3.98Å; Y54-L83 HydrophobicContact CG-CB 4.49Å
55L95.2Very high94.7Very high63 Ų6331 Ų3133%0.3317%0.172SC..THydrogen-bonded Turntrans-67.2-12.3169.5-70.2174.1000113.6P29 E32 I35 K51 F53P29-L55 WeakPolarHBondContact CB-O 3.39Å; E32-L55 HydrophobicContact CB-CD2 4.35Å; I35-L55 HydrophobicContact CD1-CD2 3.71Å; I35-L55 HydrophobicContact CD1-CG 3.75Å; K51-L55 HydrophobicContact CG-CD1 4.1Å; K51-L55 HydrophobicContact CG-CG 4.5Å; K51-L55 WeakPolarHBondContact O-CG 3.21Å; K51-L55 PolarHBondContact O-N 3.22Å; F53-L55 VanDerWaalsContact C-N 3.3Å; F53-L55 PolarHBondContact O-N 2.82Å
56T94.2Very high94.7Very high43 Ų4326 Ų2626%0.26414%0.141SC..THydrogen-bonded Turntrans-104.6-35.5175.9-56.70000112.6L3 D52 F53 Y54L3-T56 HydrophobicContact CB-CG2 4.22Å; D52-T56 PolarHBondContact O-N 2.97Å; D52-T56 PolarHBondContact O-OG1 2.88Å; F53-T56 CarbonylContact O-C 3.58Å; F53-T56 WeakPolarHBondContact O-CA 3.44Å; F53-T56 WeakPolarHBondContact O-CB 3.3Å; F53-T56 PolarHBondContact O-N 3.01Å; Y54-T56 PolarHBondContact O-N 3.04Å
57T95.2Very high94.6Very high1 Ų129.1 Ų29.11%0.00616%0.158CC..  trans-161.9132.2-178-1750000109.9N27 F53 Y54 G59 I60N27-T57 PolarHBondContact N-OG1 2.87Å; N27-T57 PolarHBondContact O-OG1 3.25Å; F53-T57 HydrophobicContact CD2-CG2 4.02Å; F53-T57 HydrophobicContact CE1-CG2 4.39Å; F53-T57 HydrophobicContact CE2-CG2 3.48Å; F53-T57 VanDerWaalsContact CE2-CG2 3.48Å; F53-T57 HydrophobicContact CZ-CG2 3.69Å; F53-T57 PolarHBondContact O-N 2.89Å; Y54-T57 WeakPolarHBondContact CA-O 3.18Å; T57-G59 VanDerWaalsContact C-N 3.32Å; T57-G59 PolarHBondContact O-N 3.22Å; T57-G59 PolarHBondContact OG1-O 3.35Å; T57-I60 HydrophobicContact CG2-CB 4.49Å
58D95.4Very high94.2Very high31 Ų3131 Ų3117%0.16617%0.171CC..SBendtrans-78.777.5175.1-171.616.2000111.5N27 E28 V30 K82 L83N27-D58 HydrophobicContact CB-CB 4.04Å; N27-D58 VanDerWaalsContact CB-O 3.26Å; N27-D58 WeakPolarHBondContact CB-O 3.45Å; N27-D58 PolarHBondContact ND2-O 3.39Å; E28-D58 WeakPolarHBondContact O-CB 3.45Å; E28-D58 PolarHBondContact O-N 2.93Å; E28-D58 VanDerWaalsContact O-N 3.07Å; V30-D58 HydrophobicContact CG2-CB 3.45Å; V30-D58 VanDerWaalsContact CG2-CB 3.45Å; V30-D58 VanDerWaalsContact CG2-CG 3.42Å; V30-D58 WeakPolarHBondContact CG2-OD1 3.37Å; D58-K82 WeakPolarHBondContact O-CG 3.42Å; D58-K82 WeakPolarHBondContact OD1-CA 3.4Å; D58-K82 WeakPolarHBondContact OD1-CB 3.29Å; D58-L83 PolarHBondContact OD1-N 3.07Å
59G95.1Very high93.7Very high1 Ų133.8 Ų33.81%0.0118%0.178CC..  trans77.7167.3-17100000113T57 I80 N81T57-G59 VanDerWaalsContact C-N 3.32Å; T57-G59 PolarHBondContact O-N 3.22Å; T57-G59 PolarHBondContact OG1-O 3.35Å; G59-I80 VanDerWaalsContact CA-O 3.25Å; G59-I80 WeakPolarHBondContact CA-O 3.33Å; G59-N81 WeakPolarHBondContact CA-O 3.43Å
60I95.8Very high93.2Very high5 Ų542.1 Ų42.13%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-157.2146.4-176.8-163159.9000110.5F6 L24 T26 F53 T57 K79 I80F6-I60 HydrophobicContact CB-CD1 3.79Å; F6-I60 HydrophobicContact CD1-CD1 4.07Å; F6-I60 HydrophobicContact CD2-CD1 3.43Å; F6-I60 VanDerWaalsContact CD2-CD1 3.43Å; F6-I60 HydrophobicContact CE1-CG2 4.33Å; F6-I60 HydrophobicContact CE2-CD1 3.96Å; F6-I60 HydrophobicContact CE2-CG2 4.16Å; F6-I60 HydrophobicContact CG-CD1 3.49Å; F6-I60 VanDerWaalsContact CG-CD1 3.49Å; F6-I60 HydrophobicContact CG-CG1 4.44Å; F6-I60 HydrophobicContact CZ-CD1 4.47Å; F6-I60 HydrophobicContact CZ-CG2 3.96Å; L24-I60 HydrophobicContact CD1-CD1 4.05Å; L24-I60 HydrophobicContact CD1-CG1 3.88Å; T26-I60 HydrophobicContact CG2-CD1 3.88Å; T26-I60 HydrophobicContact CG2-CG1 3.95Å; F53-I60 HydrophobicContact CE2-CB 4.44Å; F53-I60 HydrophobicContact CE2-CG2 3.96Å; F53-I60 HydrophobicContact CZ-CB 4.22Å; F53-I60 HydrophobicContact CZ-CG2 3.83Å; T57-I60 HydrophobicContact CG2-CB 4.49Å; I60-K79 CarbonylContact O-C 3.5Å; I60-K79 WeakPolarHBondContact O-CA 3.2Å; I60-I80 HydrophobicContact CG2-CB 4.04Å; I60-I80 HydrophobicContact CG2-CG1 3.91Å; I60-I80 PolarHBondContact N-O 3.37Å; I60-I80 PolarHBondContact O-N 2.91Å
61E96.3Very high92.9Very high31 Ų3150 Ų5015%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-137.2110.9176.6-166.8-179103.300109.8Y23 L24 K25 L77 I78 K79Y23-E61 HydrophobicContact CE2-CG 4.02Å; Y23-E61 WeakPolarHBondContact CE2-OE1 3.45Å; L24-E61 CarbonylContact C-O 3.6Å; L24-E61 WeakPolarHBondContact CA-O 3.38Å; K25-E61 HydrophobicContact CB-CB 4.22Å; K25-E61 PolarHBondContact N-O 2.86Å; K25-E61 IonicContact NZ-OE1 3.66Å; K25-E61 PolarHBondContact NZ-OE1 3.25Å; K25-E61 PolarHBondContact O-N 3.41Å; E61-L77 HydrophobicContact CG-CD1 4.02Å; E61-I78 CarbonylContact C-O 3.49Å; E61-I78 WeakPolarHBondContact CA-O 3.28Å; E61-K79 HydrophobicContact CB-CG 4.45Å; E61-K79 HydrophobicContact CG-CB 4.28Å; E61-K79 HydrophobicContact CG-CD 4.29Å; E61-K79 HydrophobicContact CG-CG 4.15Å; E61-K79 WeakPolarHBondContact OE2-CE 3.49Å; E61-K79 IonicContact OE2-NZ 2.87Å; E61-K79 PolarHBondContact OE2-NZ 3.43Å
62L96.7Very high92.6Very high1 Ų152.3 Ų52.31%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-110.4116170.7174.567.3000108F6 L9 K10 I13 V22 Y23 L24 L77 I78F6-L62 HydrophobicContact CD1-CB 4.16Å; F6-L62 HydrophobicContact CD1-CD2 4.04Å; L9-L62 HydrophobicContact CB-CD2 4.36Å; L9-L62 HydrophobicContact CD2-CD2 3.38Å; L9-L62 HydrophobicContact CG-CD2 3.73Å; K10-L62 HydrophobicContact CB-CD1 4.11Å; K10-L62 HydrophobicContact CG-CD1 4.4Å; I13-L62 HydrophobicContact CD1-CD2 4.09Å; V22-L62 HydrophobicContact CG1-CD1 4.3Å; Y23-L62 WeakPolarHBondContact O-CA 3.22Å; Y23-L62 WeakPolarHBondContact O-CD1 3.42Å; L24-L62 HydrophobicContact CB-CD1 4.18Å; L24-L62 HydrophobicContact CD1-CB 3.98Å; L24-L62 HydrophobicContact CD1-CD1 4.31Å; L62-L77 CarbonylContact O-C 3.56Å; L62-L77 WeakPolarHBondContact O-CA 3.29Å; L62-I78 HydrophobicContact CB-CB 4.44Å; L62-I78 HydrophobicContact CD2-CD1 4.29Å; L62-I78 PolarHBondContact N-O 3.23Å; L62-I78 PolarHBondContact O-N 3.13Å
63G96.4Very high92.4Very high1 Ų150.8 Ų50.81%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-130.9152.117800000111.9Y23 G76Y23-G63 WeakPolarHBondContact CD1-O 3.2Å; Y23-G63 PolarHBondContact N-O 3.44Å; Y23-G63 PolarHBondContact O-N 3.47Å; G63-G76 WeakPolarHBondContact CA-O 3.46Å
64W96.7Very high92.3Very high3 Ų352.4 Ų52.41%0.01128%0.279CS..EExtended strand (participates in β ladder)trans-155.5154.1177.960.8-79.4000112.6I13 V19 D21 V22 A75 G76 L173 L175 Y198I13-W64 HydrophobicContact CG2-CB 4.02Å; I13-W64 HydrophobicContact CG2-CD2 3.73Å; I13-W64 HydrophobicContact CG2-CE3 4.13Å; I13-W64 HydrophobicContact CG2-CG 3.68Å; V19-W64 HydrophobicContact CG1-CE3 4.07Å; V19-W64 HydrophobicContact CG2-CE3 3.87Å; V19-W64 HydrophobicContact CG2-CZ3 3.76Å; D21-W64 WeakPolarHBondContact O-CA 3.33Å; V22-W64 HydrophobicContact CB-CB 4.27Å; V22-W64 HydrophobicContact CG1-CB 4.12Å; V22-W64 HydrophobicContact CG2-CB 3.93Å; W64-A75 HydrophobicContact CD2-CB 4.06Å; W64-A75 HydrophobicContact CE3-CB 3.49Å; W64-A75 VanDerWaalsContact CE3-CB 3.49Å; W64-A75 HydrophobicContact CH2-CB 3.62Å; W64-A75 HydrophobicContact CZ2-CB 4.19Å; W64-A75 HydrophobicContact CZ3-CB 3.23Å; W64-A75 PolarHBondContact O-N 3.05Å; W64-G76 PolarHBondContact N-O 3.15Å; W64-G76 PolarHBondContact O-N 3.39Å; W64-G76 VanDerWaalsContact O-N 3.17Å; W64-L173 HydrophobicContact CZ2-CB 4.26Å; W64-L173 PolarHBondContact NE1-O 2.95Å; W64-L175 HydrophobicContact CH2-CD2 3.61Å; W64-L175 HydrophobicContact CZ2-CD2 3.52Å; W64-L175 HydrophobicContact CZ2-CG 4.26Å; W64-Y198 AromaticContact CH2-CD1 3.99Å; W64-Y198 HydrophobicContact CH2-CD1 3.99Å; W64-Y198 AromaticContact CH2-CD2 3.56Å; W64-Y198 HydrophobicContact CH2-CD2 3.56Å; W64-Y198 HydrophobicContact CH2-CE1 4.16Å; W64-Y198 AromaticContact CH2-CE2 3.71Å; W64-Y198 HydrophobicContact CH2-CE2 3.71Å; W64-Y198 AromaticContact CH2-CG 3.69Å; W64-Y198 HydrophobicContact CH2-CG 3.69Å; W64-Y198 HydrophobicContact CZ3-CD1 4.24Å; W64-Y198 HydrophobicContact CZ3-CD2 4.08Å; W64-Y198 AromaticContact CZ3-CE1 3.94Å; W64-Y198 HydrophobicContact CZ3-CE1 3.94Å; W64-Y198 AromaticContact CZ3-CE2 3.74Å; W64-Y198 HydrophobicContact CZ3-CE2 3.74Å; W64-Y198 HydrophobicContact CZ3-CG 4.3Å; W64-Y198 AromaticContact CZ3-CZ 3.67Å
65Y95.2Very high92.2Very high81 Ų8152.4 Ų52.432%0.31828%0.279SS..EExtended strand (participates in β ladder)trans-114.7158.5-177.4-61.5-98.9000110.4Y20 D21 Y23 S73 A74Y20-Y65 PolarHBondContact N-O 3.32Å; Y20-Y65 CarbonylContact O-C 3.36Å; Y20-Y65 WeakPolarHBondContact O-CA 3.44Å; Y20-Y65 WeakPolarHBondContact O-CB 3.35Å; Y20-Y65 PolarHBondContact O-N 2.89Å; D21-Y65 HydrophobicContact CB-CD2 4.07Å; Y23-Y65 HydrophobicContact CE1-CE2 4.04Å; Y65-S73 CarbonylContact C-O 3.53Å; Y65-S73 VanDerWaalsContact CA-O 3.26Å; Y65-S73 WeakPolarHBondContact CA-O 3.08Å; Y65-S73 WeakPolarHBondContact CB-O 3.31Å; Y65-A74 VanDerWaalsContact CD1-CA 3.47Å; Y65-A74 HydrophobicContact CD1-CB 4.04Å; Y65-A74 HydrophobicContact CE1-CB 3.83Å
66S93Very high92.2Very high6 Ų649.6 Ų49.64%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-118.5146.8169.463.30000110.2G18 T72 S73 Y198G18-S66 CarbonylContact O-C 3.55Å; G18-S66 WeakPolarHBondContact O-CA 3.42Å; S66-T72 WeakPolarHBondContact O-CA 3.43Å; S66-S73 PolarHBondContact N-O 2.89Å; S66-S73 PolarHBondContact O-N 3.42Å; S66-S73 PolarHBondContact OG-OG 3.27Å; S66-Y198 WeakPolarHBondContact CB-OH 3.08Å
67I90.7Very high92.2Very high73 Ų7348.8 Ų48.837%0.37426%0.259SS..EExtended strand (participates in β ladder)trans-104.7121.4170.5-64168.8000108.1G18 Y20 K71 T72G18-I67 PolarHBondContact O-N 3.3Å; Y20-I67 HydrophobicContact CD1-CD1 4.45Å; Y20-I67 HydrophobicContact CD2-CD1 3.55Å; Y20-I67 HydrophobicContact CD2-CG1 4.47Å; Y20-I67 HydrophobicContact CE2-CD1 4.35Å; Y20-I67 HydrophobicContact CG-CD1 3.61Å; Y20-I67 HydrophobicContact CG-CG1 4.04Å; I67-K71 WeakPolarHBondContact CA-O 3.16Å; I67-T72 HydrophobicContact CD1-CG2 4.43Å; I67-T72 HydrophobicContact CG1-CG2 3.81Å
68C82.4Confident92.2Very high75 Ų7548.8 Ų48.851%0.50726%0.259SS..EExtended strand (participates in β ladder)trans-133.4124171-174.10000109E70 K71C68-E70 VanDerWaalsContact C-N 3.35Å; C68-E70 PolarHBondContact O-N 3.28Å; C68-K71 PolarHBondContact N-O 2.89Å; C68-K71 PolarHBondContact O-N 2.73Å
69N83Confident92.2Very high147 Ų14750.9 Ų50.979%0.78627%0.266SS*.THydrogen-bonded Turntrans49.651-178.5-59.6-27.9000113.2K71N69-K71 PolarHBondContact O-N 3.42Å
70E81.4Confident92.2Very high193 Ų19351 Ų5190%0.90227%0.267SS*.THydrogen-bonded Turntrans63.34-179.2-52.8179.6168.900115.3C68C68-E70 VanDerWaalsContact C-N 3.35Å; C68-E70 PolarHBondContact O-N 3.28Å
71K87.4Confident92.2Very high164 Ų16451.4 Ų51.471%0.71327%0.269SS*.EExtended strand (participates in β ladder)trans-99.9128.4173.6-65.5-176.6179.8-179.60110.2I67 C68 N69I67-K71 WeakPolarHBondContact CA-O 3.16Å; C68-K71 PolarHBondContact N-O 2.89Å; C68-K71 PolarHBondContact O-N 2.73Å; N69-K71 PolarHBondContact O-N 3.42Å
72T89.1Confident92.2Very high90 Ų9053.1 Ų53.155%0.55228%0.276SS*.EExtended strand (participates in β ladder)trans-87.7128.9170.8520000109.9Y20 S66 I67Y20-T72 HydrophobicContact CD1-CG2 4.27Å; Y20-T72 HydrophobicContact CE1-CG2 4.48Å; S66-T72 WeakPolarHBondContact O-CA 3.43Å; I67-T72 HydrophobicContact CD1-CG2 4.43Å; I67-T72 HydrophobicContact CG1-CG2 3.81Å
73S90.3Very high92.1Very high57 Ų5753.6 Ų53.640%0.39928%0.278SS..EExtended strand (participates in β ladder)trans-131.6146.7173.1490000111Y65 S66 A75Y65-S73 CarbonylContact C-O 3.53Å; Y65-S73 VanDerWaalsContact CA-O 3.26Å; Y65-S73 WeakPolarHBondContact CA-O 3.08Å; Y65-S73 WeakPolarHBondContact CB-O 3.31Å; S66-S73 PolarHBondContact N-O 2.89Å; S66-S73 PolarHBondContact O-N 3.42Å; S66-S73 PolarHBondContact OG-OG 3.27Å; S73-A75 PolarHBondContact O-N 2.64Å
74A92.3Very high91.9Very high35 Ų3560 Ų6029%0.28931%0.308SS..EExtended strand (participates in β ladder)trans-62.8123.6170.200000108.3Y65 L130Y65-A74 VanDerWaalsContact CD1-CA 3.47Å; Y65-A74 HydrophobicContact CD1-CB 4.04Å; Y65-A74 HydrophobicContact CE1-CB 3.83Å; A74-L130 HydrophobicContact CB-CD1 4.14Å
75A93.9Very high91.8Very high0 Ų063.2 Ų63.20%033%0.325CS..EExtended strand (participates in β ladder)trans-106.6-36.9-174.300000111.4W64 S73 L175 Q176 L194W64-A75 HydrophobicContact CD2-CB 4.06Å; W64-A75 HydrophobicContact CE3-CB 3.49Å; W64-A75 VanDerWaalsContact CE3-CB 3.49Å; W64-A75 HydrophobicContact CH2-CB 3.62Å; W64-A75 HydrophobicContact CZ2-CB 4.19Å; W64-A75 HydrophobicContact CZ3-CB 3.23Å; W64-A75 PolarHBondContact O-N 3.05Å; S73-A75 PolarHBondContact O-N 2.64Å; A75-L175 WeakPolarHBondContact O-CA 3.4Å; A75-L175 WeakPolarHBondContact O-CD2 3.33Å; A75-Q176 PolarHBondContact O-N 2.81Å; A75-L194 HydrophobicContact CB-CD2 4.11Å
76G94.6Very high91.6Very high3 Ų359.4 Ų59.43%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-152.1152.6172.900000114.1G63 W64 G174G63-G76 WeakPolarHBondContact CA-O 3.46Å; W64-G76 PolarHBondContact N-O 3.15Å; W64-G76 PolarHBondContact O-N 3.39Å; W64-G76 VanDerWaalsContact O-N 3.17Å; G76-G174 CarbonylContact C-O 3.55Å; G76-G174 WeakPolarHBondContact CA-O 3.23Å
77L95.1Very high91.4Very high27 Ų2764.1 Ų64.114%0.14133%0.33CS..EExtended strand (participates in β ladder)trans-145.7131.6177.6-17766.2000108.7E61 L62 K79 L130 G174E61-L77 HydrophobicContact CG-CD1 4.02Å; L62-L77 CarbonylContact O-C 3.56Å; L62-L77 WeakPolarHBondContact O-CA 3.29Å; L77-K79 HydrophobicContact CD1-CB 4.4Å; L77-K79 HydrophobicContact CD2-CB 4.45Å; L77-K79 HydrophobicContact CG-CB 4.23Å; L77-L130 HydrophobicContact CB-CD1 4.22Å; L77-L130 HydrophobicContact CD2-CD1 4.37Å; L77-L130 HydrophobicContact CD2-CD2 3.96Å; L77-L130 HydrophobicContact CD2-CG 3.92Å; L77-G174 PolarHBondContact N-O 3.15Å
78I95.2Very high91.3Very high1 Ų162.8 Ų62.81%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-122.6115.3162.6-51.3177.4000106.1F6 L9 E61 L62 A169 G174F6-I78 HydrophobicContact CE1-CB 4.13Å; F6-I78 HydrophobicContact CE1-CD1 4.03Å; F6-I78 HydrophobicContact CE1-CG2 3.76Å; F6-I78 HydrophobicContact CZ-CG2 4.05Å; L9-I78 HydrophobicContact CD2-CD1 3.84Å; E61-I78 CarbonylContact C-O 3.49Å; E61-I78 WeakPolarHBondContact CA-O 3.28Å; L62-I78 HydrophobicContact CB-CB 4.44Å; L62-I78 HydrophobicContact CD2-CD1 4.29Å; L62-I78 PolarHBondContact N-O 3.23Å; L62-I78 PolarHBondContact O-N 3.13Å; I78-A169 HydrophobicContact CD1-CB 3.79Å; I78-A169 HydrophobicContact CG1-CB 4.15Å; I78-A169 HydrophobicContact CG2-CB 4.18Å; I78-G174 VanDerWaalsContact CG1-CA 3.42Å
79K95.3Very high91.5Very high74 Ų7460.8 Ų60.832%0.32231%0.311SS..EExtended strand (participates in β ladder)trans-133.1104.4-178.4-178.4177.5179.6140.40111.6I60 E61 L77 E127I60-K79 CarbonylContact O-C 3.5Å; I60-K79 WeakPolarHBondContact O-CA 3.2Å; E61-K79 HydrophobicContact CB-CG 4.45Å; E61-K79 HydrophobicContact CG-CB 4.28Å; E61-K79 HydrophobicContact CG-CD 4.29Å; E61-K79 HydrophobicContact CG-CG 4.15Å; E61-K79 WeakPolarHBondContact OE2-CE 3.49Å; E61-K79 IonicContact OE2-NZ 2.87Å; E61-K79 PolarHBondContact OE2-NZ 3.43Å; L77-K79 HydrophobicContact CD1-CB 4.4Å; L77-K79 HydrophobicContact CD2-CB 4.45Å; L77-K79 HydrophobicContact CG-CB 4.23Å; K79-E127 HydrophobicContact CB-CG 4.29Å; K79-E127 VanDerWaalsContact N-CD 3.28Å; K79-E127 PolarHBondContact N-OE1 3.37Å; K79-E127 PolarHBondContact N-OE2 3.38Å; K79-E127 WeakPolarHBondContact O-CB 3.37Å; K79-E127 WeakPolarHBondContact O-CG 3.46Å
80I96.2Very high91.3Very high4 Ų461.9 Ų61.92%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-92.5125.6170.4-48.8-55.5000108.5F53 G59 I60 L126 F162 Y165 I166F53-I80 HydrophobicContact CD1-CG2 4.4Å; F53-I80 HydrophobicContact CE1-CB 4.08Å; F53-I80 HydrophobicContact CE1-CG2 3.57Å; F53-I80 HydrophobicContact CZ-CB 3.78Å; F53-I80 HydrophobicContact CZ-CG1 4.2Å; F53-I80 HydrophobicContact CZ-CG2 3.8Å; G59-I80 VanDerWaalsContact CA-O 3.25Å; G59-I80 WeakPolarHBondContact CA-O 3.33Å; I60-I80 HydrophobicContact CG2-CB 4.04Å; I60-I80 HydrophobicContact CG2-CG1 3.91Å; I60-I80 PolarHBondContact N-O 3.37Å; I60-I80 PolarHBondContact O-N 2.91Å; I80-L126 HydrophobicContact CD1-CD2 4.34Å; I80-L126 HydrophobicContact CD1-CG 4.2Å; I80-L126 HydrophobicContact CG2-CD1 3.86Å; I80-L126 HydrophobicContact CG2-CG 4.32Å; I80-F162 HydrophobicContact CD1-CE2 4.07Å; I80-F162 HydrophobicContact CG1-CE2 4.22Å; I80-F162 HydrophobicContact CG1-CZ 4.3Å; I80-F162 HydrophobicContact CG2-CE2 4.08Å; I80-F162 HydrophobicContact CG2-CZ 4.31Å; I80-Y165 HydrophobicContact CD1-CD1 4.43Å; I80-Y165 HydrophobicContact CD1-CE1 3.95Å; I80-I166 HydrophobicContact CD1-CD1 3.89Å; I80-I166 HydrophobicContact CG1-CD1 3.96Å
81N95.7Very high90.7Very high14 Ų1455.3 Ų55.38%0.07528%0.28CS..PPolyproline II helixtrans-57.8155.8177.2-76.4-18.2000111.5Y54 G59 D85 E125 L126Y54-N81 PolarHBondContact OH-O 3.41Å; G59-N81 WeakPolarHBondContact CA-O 3.43Å; N81-D85 HydrophobicContact CB-CB 4.06Å; N81-E125 PolarHBondContact ND2-O 3.36Å; N81-E125 VanDerWaalsContact ND2-O 3.07Å; N81-E125 PolarHBondContact ND2-OE1 3.34Å; N81-E125 VanDerWaalsContact ND2-OE1 3.13Å; N81-L126 WeakPolarHBondContact CB-O 3.44Å; N81-L126 PolarHBondContact N-O 3.07Å
82K95.7Very high89.1Confident67 Ų6755 Ų5529%0.29129%0.286SS..PPolyproline II helixtrans-68162.9168.1-60.8-176.5179.4-177.60110.6D58 E84 D85 F86D58-K82 WeakPolarHBondContact O-CG 3.42Å; D58-K82 WeakPolarHBondContact OD1-CA 3.4Å; D58-K82 WeakPolarHBondContact OD1-CB 3.29Å; K82-E84 HydrophobicContact CB-CG 3.86Å; K82-E84 HydrophobicContact CD-CG 3.98Å; K82-E84 WeakPolarHBondContact CD-OE1 3.39Å; K82-E84 IonicContact NZ-OE1 3.91Å; K82-E84 PolarHBondContact NZ-OE1 3.29Å; K82-E84 PolarHBondContact O-N 3.03Å; K82-D85 HydrophobicContact CB-CB 4.44Å; K82-D85 CarbonylContact O-C 3.54Å; K82-D85 PolarHBondContact O-N 3.08Å; K82-F86 PolarHBondContact O-N 2.97Å
83L95.3Very high87.1Confident10 Ų1054.7 Ų54.75%0.05229%0.286CS..THydrogen-bonded Turntrans-60.5-35.1175.9-174.765.6000112.3V30 I35 W38 L46 Y54 D58 D85 F86V30-L83 HydrophobicContact CG1-CD2 3.8Å; V30-L83 HydrophobicContact CG2-CB 4.33Å; I35-L83 HydrophobicContact CG1-CD2 3.99Å; W38-L83 HydrophobicContact CB-CD1 4.33Å; W38-L83 HydrophobicContact CB-CD2 4.01Å; W38-L83 HydrophobicContact CB-CG 4.26Å; W38-L83 HydrophobicContact CD2-CD1 3.87Å; W38-L83 HydrophobicContact CE3-CD1 4.48Å; W38-L83 HydrophobicContact CG-CD1 3.76Å; W38-L83 HydrophobicContact CG-CD2 4.25Å; W38-L83 HydrophobicContact CG-CG 3.95Å; W38-L83 PolarHBondContact NE1-O 3.04Å; L46-L83 HydrophobicContact CD1-CD1 4.17Å; Y54-L83 HydrophobicContact CD1-CB 4.07Å; Y54-L83 HydrophobicContact CD2-CD1 4.12Å; Y54-L83 HydrophobicContact CE1-CB 4.04Å; Y54-L83 HydrophobicContact CE2-CD1 3.98Å; Y54-L83 HydrophobicContact CG-CB 4.49Å; D58-L83 PolarHBondContact OD1-N 3.07Å; L83-D85 VanDerWaalsContact C-N 3.31Å; L83-D85 PolarHBondContact O-N 3.21Å; L83-F86 PolarHBondContact O-N 2.85Å
84E92.4Very high84.8Confident135 Ų13558.8 Ų58.863%0.63130%0.302SS*.THydrogen-bonded Turntrans-66.6-31.1175.563.1-176.2172.800113.3K82K82-E84 HydrophobicContact CB-CG 3.86Å; K82-E84 HydrophobicContact CD-CG 3.98Å; K82-E84 WeakPolarHBondContact CD-OE1 3.39Å; K82-E84 IonicContact NZ-OE1 3.91Å; K82-E84 PolarHBondContact NZ-OE1 3.29Å; K82-E84 PolarHBondContact O-N 3.03Å
85D92.8Very high82Confident71 Ų7164 Ų6438%0.3833%0.325SS..THydrogen-bonded Turntrans-91.7-11.2179.8-68.5-44.6000112.5N81 K82 L83 K87N81-D85 HydrophobicContact CB-CB 4.06Å; K82-D85 HydrophobicContact CB-CB 4.44Å; K82-D85 CarbonylContact O-C 3.54Å; K82-D85 PolarHBondContact O-N 3.08Å; L83-D85 VanDerWaalsContact C-N 3.31Å; L83-D85 PolarHBondContact O-N 3.21Å; D85-K87 PolarHBondContact O-N 2.98Å
86F92Very high79.5Confident2 Ų269.4 Ų69.41%0.00935%0.354CS..  trans-7278.7174.1-165.9-121.6000109.6W38 L46 L50 K82 L83 Y124 E125 L126 F137 F139W38-F86 AromaticContact CH2-CD1 3.71Å; W38-F86 HydrophobicContact CH2-CD1 3.71Å; W38-F86 AromaticContact CH2-CE1 3.77Å; W38-F86 HydrophobicContact CH2-CE1 3.77Å; W38-F86 AromaticContact CZ2-CD1 3.32Å; W38-F86 HydrophobicContact CZ2-CD1 3.32Å; W38-F86 AromaticContact CZ2-CE1 3.87Å; W38-F86 HydrophobicContact CZ2-CE1 3.87Å; W38-F86 HydrophobicContact CZ2-CG 4.33Å; W38-F86 WeakPolarHBondContact CZ2-O 3.02Å; W38-F86 PolarHBondContact NE1-O 2.89Å; L46-F86 HydrophobicContact CD2-CD1 4.44Å; L46-F86 HydrophobicContact CD2-CE1 3.89Å; L50-F86 HydrophobicContact CD2-CE1 4.05Å; L50-F86 HydrophobicContact CD2-CZ 3.85Å; K82-F86 PolarHBondContact O-N 2.97Å; L83-F86 PolarHBondContact O-N 2.85Å; F86-Y124 HydrophobicContact CD1-CD1 4.16Å; F86-Y124 HydrophobicContact CD1-CG 4.31Å; F86-Y124 HydrophobicContact CE1-CD1 4.26Å; F86-Y124 AromaticContact CE1-CG 3.96Å; F86-Y124 HydrophobicContact CE1-CG 3.96Å; F86-Y124 HydrophobicContact CZ-CG 4.18Å; F86-Y124 WeakPolarHBondContact O-CD1 3.49Å; F86-E125 WeakPolarHBondContact CD2-O 3.45Å; F86-L126 HydrophobicContact CD2-CD1 4.41Å; F86-L126 HydrophobicContact CE2-CB 4.25Å; F86-L126 HydrophobicContact CE2-CD1 3.89Å; F86-F137 HydrophobicContact CE2-CB 4.29Å; F86-F137 HydrophobicContact CZ-CB 3.91Å; F86-F139 HydrophobicContact CE1-CE2 4.44Å; F86-F139 HydrophobicContact CZ-CE2 4.38Å
87K89.5Confident76.9Confident105 Ų10575 Ų7546%0.45738%0.383SS..  trans-110.5153.5-171.369.4-166.4173.4-163.90111.7D85 Y124 E125D85-K87 PolarHBondContact O-N 2.98Å; K87-Y124 WeakPolarHBondContact O-CA 3.36Å; K87-E125 WeakPolarHBondContact CE-OE2 3.11Å; K87-E125 HydrophobicContact CG-CB 4.46Å; K87-E125 IonicContact NZ-OE2 2.68Å; K87-E125 PolarHBondContact O-N 3.12Å
88S88.8Confident74.7Confident45 Ų4583.7 Ų83.732%0.31542%0.423SS..BIsolated β-bridgetrans-73.7131.3175.5-174.10000111.6N123S88-N123 WeakPolarHBondContact CA-O 3.3Å; S88-N123 WeakPolarHBondContact CB-O 3.4Å; S88-N123 PolarHBondContact OG-O 2.76Å
89I85.6Confident72.5Confident32 Ų3292.4 Ų92.416%0.16446%0.463CS..PPolyproline II helixtrans-83.6117171.5-53.6-178.4000107.3W120 N123 E125 T134 I136 L149I89-W120 HydrophobicContact CB-CZ2 4.29Å; I89-W120 HydrophobicContact CG2-CZ2 4.05Å; I89-W120 PolarHBondContact O-NE1 3.5Å; I89-N123 WeakPolarHBondContact CB-OD1 3.41Å; I89-E125 HydrophobicContact CD1-CB 4.13Å; I89-E125 HydrophobicContact CD1-CG 4.44Å; I89-E125 HydrophobicContact CG1-CB 4.1Å; I89-T134 HydrophobicContact CD1-CG2 3.57Å; I89-I136 HydrophobicContact CD1-CG2 3.51Å; I89-L149 HydrophobicContact CD1-CD2 4.3Å
90K79Confident70.3Confident171 Ų17193.8 Ų93.874%0.74348%0.478SS*.PPolyproline II helixtrans-100.3119.6172.6-62.4-175.5-179.8-176.20108.1N92K90-N92 PolarHBondContact O-N 3.36Å
91L67.6Low68.2Low55 Ų55102.6 Ų102.629%0.28852%0.516SS..PPolyproline II helixtrans-74.6121.9159.6-68.4-172.9000107.2C93 W120 L153L91-C93 PolarHBondContact O-N 3.41Å; L91-C93 PolarHBondContact O-SG 2.81Å; L91-W120 HydrophobicContact CB-CD2 4.36Å; L91-W120 HydrophobicContact CD1-CD2 3.85Å; L91-W120 HydrophobicContact CD1-CE3 3.28Å; L91-W120 HydrophobicContact CD1-CH2 3.72Å; L91-W120 HydrophobicContact CD1-CZ2 4.25Å; L91-W120 HydrophobicContact CD1-CZ3 3.2Å; L91-W120 HydrophobicContact CD2-CH2 4.13Å; L91-W120 HydrophobicContact CD2-CZ2 4.37Å; L91-W120 HydrophobicContact CD2-CZ3 4.44Å; L91-W120 HydrophobicContact CG-CD2 3.85Å; L91-W120 HydrophobicContact CG-CE3 3.76Å; L91-W120 HydrophobicContact CG-CH2 3.64Å; L91-W120 HydrophobicContact CG-CZ2 3.74Å; L91-W120 HydrophobicContact CG-CZ3 3.66Å; L91-L153 HydrophobicContact CD2-CD2 4.17Å
92N54.5Low66.4Low158 Ų158106.9 Ų106.985%0.84554%0.539SS*.  trans-74.162.1162.7-78.5-5.8000108.1K90 I94K90-N92 PolarHBondContact O-N 3.36Å; N92-I94 PolarHBondContact O-N 2.76Å
93C48.4Very low64.7Low82 Ų82109.4 Ų109.455%0.55456%0.556SS**  trans-69.9111.7159.215.60000105.7L91L91-C93 PolarHBondContact O-N 3.41Å; L91-C93 PolarHBondContact O-SG 2.81Å
94I40.2Very low63.2Low143 Ų143115.3 Ų115.373%0.73359%0.588SS**  trans-41.7139.3179.7-63.8158.3000110N92 L96N92-I94 PolarHBondContact O-N 2.76Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.13Å
95N34.7Very low61.6Low144 Ų144112.6 Ų112.677%0.7757%0.574SS**  trans-41.994.2165.2-64.1-34.2000109.5D97N95-D97 PolarHBondContact O-N 2.77Å
96L41.3Very low60.1Low115 Ų115111.9 Ų111.960%0.60257%0.568SS**  trans-94.794.3163-73169000102.9I94 F105I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.13Å; L96-F105 HydrophobicContact CD1-CD2 4.24Å; L96-F105 HydrophobicContact CD1-CE2 3.94Å
97D39.8Very low58.6Low120 Ų120116.7 Ų116.764%0.64260%0.597SS**  trans-40.3141.4179.2-57.9-41.9000110.4N95 E99N95-D97 PolarHBondContact O-N 2.77Å; D97-E99 PolarHBondContact O-N 2.77Å
98E49.5Very low57.2Low209 Ų209117.4 Ų117.498%0.97760%0.601SS**THydrogen-bonded Turntrans-5814.3-172.2-60.7-177.5145.600115.3
99E48.9Very low56.1Low184 Ų184116 Ų11686%0.8659%0.591SS**THydrogen-bonded Turntrans-102.7-8.6-171.5-60.7-164.4165.400114.5D97D97-E99 PolarHBondContact O-N 2.77Å
100T49.5Very low55.1Low103 Ų103116.4 Ų116.463%0.63259%0.593SS**SBendtrans-93.3110.1174.4-4.40000109.9N102T100-N102 PolarHBondContact O-N 2.87Å
101K50.5Low54.5Low190 Ų190112.9 Ų112.983%0.82659%0.59SS**  trans-33.1118.9-179.3-64.8176.8180177.40112.5D103K101-D103 PolarHBondContact O-N 3.48Å
102N58.7Low54.5Low103 Ų103114.8 Ų114.855%0.55160%0.596SS**Hα-helixtrans-48.3-25.6-168.6-81-42000116.8T100 D104 F105 E106T100-N102 PolarHBondContact O-N 2.87Å; N102-D104 PolarHBondContact O-N 2.68Å; N102-F105 PolarHBondContact O-N 3.3Å; N102-E106 WeakPolarHBondContact O-CG 3.35Å; N102-E106 PolarHBondContact O-N 2.95Å
103D60.6Low55.3Low121 Ų121107.5 Ų107.565%0.64756%0.557SS**Hα-helixtrans-65.4-42.8-172.5-72.5-13.7000113.3K101 F105 E106 V107K101-D103 PolarHBondContact O-N 3.48Å; D103-F105 VanDerWaalsContact C-N 3.32Å; D103-F105 PolarHBondContact O-N 2.84Å; D103-E106 PolarHBondContact O-N 3.06Å; D103-V107 WeakPolarHBondContact O-CG2 3.38Å; D103-V107 PolarHBondContact O-N 3.35Å; D103-V107 VanDerWaalsContact O-N 3.1Å
104D62.4Low56.2Low134 Ų134104.5 Ų104.572%0.71754%0.54SS*.Hα-helixtrans-70.6-32.8-177.4-70-23.7000111.5N102 F108N102-D104 PolarHBondContact O-N 2.68Å; D104-F108 VanDerWaalsContact O-CB 3.25Å; D104-F108 WeakPolarHBondContact O-CB 2.98Å; D104-F108 PolarHBondContact O-N 2.82Å
105F60.2Low57.5Low78 Ų78103.8 Ų103.834%0.34254%0.544SS..Hα-helixtrans-73.5-40.7177.7-173.4-103.7000111.7L96 N102 D103 V107 F108 V109L96-F105 HydrophobicContact CD1-CD2 4.24Å; L96-F105 HydrophobicContact CD1-CE2 3.94Å; N102-F105 PolarHBondContact O-N 3.3Å; D103-F105 VanDerWaalsContact C-N 3.32Å; D103-F105 PolarHBondContact O-N 2.84Å; F105-V107 VanDerWaalsContact C-N 3.33Å; F105-V107 PolarHBondContact O-N 2.82Å; F105-F108 PolarHBondContact O-N 3.03Å; F105-V109 HydrophobicContact CD1-CG2 3.89Å; F105-V109 HydrophobicContact CD2-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.5Å; F105-V109 VanDerWaalsContact CE1-CG2 3.5Å; F105-V109 HydrophobicContact CE2-CG2 3.95Å; F105-V109 HydrophobicContact CG-CG2 4.29Å; F105-V109 HydrophobicContact CZ-CG2 3.54Å; F105-V109 WeakPolarHBondContact O-CB 3.3Å; F105-V109 VanDerWaalsContact O-CG2 3.29Å; F105-V109 WeakPolarHBondContact O-CG2 3.35Å; F105-V109 PolarHBondContact O-N 2.89Å
106E60Low59.1Low56 Ų5698.8 Ų98.826%0.26253%0.527SS..Hα-helixtrans-63.2-41.1175.5-72.8-169.7-171.900111.4N102 D103 N110 N118N102-E106 WeakPolarHBondContact O-CG 3.35Å; N102-E106 PolarHBondContact O-N 2.95Å; D103-E106 PolarHBondContact O-N 3.06Å; E106-N110 WeakPolarHBondContact O-CB 3.43Å; E106-N110 VanDerWaalsContact O-CG 3.27Å; E106-N110 PolarHBondContact O-N 2.84Å; E106-N110 PolarHBondContact O-ND2 2.84Å; E106-N118 HydrophobicContact CG-CB 4.08Å; E106-N118 PolarHBondContact OE2-ND2 2.8Å
107V61.8Low60.5Low102 Ų10293.9 Ų93.962%0.61850%0.501SS*.Hα-helixtrans-64.3-42.6174.2174.60000111D103 F105 N110 S111D103-V107 WeakPolarHBondContact O-CG2 3.38Å; D103-V107 PolarHBondContact O-N 3.35Å; D103-V107 VanDerWaalsContact O-N 3.1Å; F105-V107 VanDerWaalsContact C-N 3.33Å; F105-V107 PolarHBondContact O-N 2.82Å; V107-N110 PolarHBondContact O-N 3.5Å; V107-S111 WeakPolarHBondContact O-CB 3.36Å; V107-S111 PolarHBondContact O-N 3.22Å
108F59.7Low61.9Low120 Ų12091.4 Ų91.453%0.52649%0.488SS..Hα-helixtrans-62.4-48.4177.9-177.3-98.3000112D104 F105 S111 F112D104-F108 VanDerWaalsContact O-CB 3.25Å; D104-F108 WeakPolarHBondContact O-CB 2.98Å; D104-F108 PolarHBondContact O-N 2.82Å; F105-F108 PolarHBondContact O-N 3.03Å; F108-S111 WeakPolarHBondContact O-CB 3.04Å; F108-S111 PolarHBondContact O-N 3.19Å; F108-F112 HydrophobicContact CD1-CD2 4.35Å; F108-F112 HydrophobicContact CD1-CE2 4.46Å; F108-F112 HydrophobicContact CD2-CE2 4.17Å; F108-F112 HydrophobicContact CE1-CD2 4.06Å; F108-F112 AromaticContact CE1-CE2 3.89Å; F108-F112 HydrophobicContact CE1-CE2 3.89Å; F108-F112 HydrophobicContact CE2-CD2 4.34Å; F108-F112 AromaticContact CE2-CE2 3.58Å; F108-F112 HydrophobicContact CE2-CE2 3.58Å; F108-F112 HydrophobicContact CZ-CD2 4.06Å; F108-F112 AromaticContact CZ-CE2 3.42Å; F108-F112 HydrophobicContact CZ-CE2 3.42Å; F108-F112 VanDerWaalsContact CZ-CE2 3.42Å; F108-F112 HydrophobicContact CZ-CZ 4.32Å; F108-F112 WeakPolarHBondContact O-CD2 3.46Å; F108-F112 PolarHBondContact O-N 2.97Å
109V65Low63.1Low17 Ų1789.9 Ų89.910%0.10347%0.473CS..Hα-helixtrans-65.1-44.2178174.90000110.9F105 S111 F112 L113F105-V109 HydrophobicContact CD1-CG2 3.89Å; F105-V109 HydrophobicContact CD2-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.5Å; F105-V109 VanDerWaalsContact CE1-CG2 3.5Å; F105-V109 HydrophobicContact CE2-CG2 3.95Å; F105-V109 HydrophobicContact CG-CG2 4.29Å; F105-V109 HydrophobicContact CZ-CG2 3.54Å; F105-V109 WeakPolarHBondContact O-CB 3.3Å; F105-V109 VanDerWaalsContact O-CG2 3.29Å; F105-V109 WeakPolarHBondContact O-CG2 3.35Å; F105-V109 PolarHBondContact O-N 2.89Å; V109-S111 PolarHBondContact O-N 3.32Å; V109-F112 PolarHBondContact O-N 2.94Å; V109-F112 VanDerWaalsContact O-N 3.09Å; V109-L113 HydrophobicContact CG1-CD1 3.38Å; V109-L113 HydrophobicContact CG1-CG 3.82Å; V109-L113 WeakPolarHBondContact O-CB 3.41Å; V109-L113 WeakPolarHBondContact O-CG 3.3Å; V109-L113 PolarHBondContact O-N 3.46Å
110N65.1Low64.5Low39 Ų3983.9 Ų83.921%0.20944%0.443CS..Hα-helixtrans-61-33.7175-81.9-56.1000112.1E106 V107 F112 G114 G116 F117 N118E106-N110 WeakPolarHBondContact O-CB 3.43Å; E106-N110 VanDerWaalsContact O-CG 3.27Å; E106-N110 PolarHBondContact O-N 2.84Å; E106-N110 PolarHBondContact O-ND2 2.84Å; V107-N110 PolarHBondContact O-N 3.5Å; N110-F112 VanDerWaalsContact C-N 3.26Å; N110-F112 PolarHBondContact O-N 3.12Å; N110-G114 CarbonylContact O-C 3.57Å; N110-G114 VanDerWaalsContact O-CA 3.31Å; N110-G114 WeakPolarHBondContact O-CA 3.38Å; N110-G114 PolarHBondContact O-N 3.41Å; N110-G114 PolarHBondContact OD1-O 3.39Å; N110-G116 PolarHBondContact OD1-N 3.16Å; N110-F117 PolarHBondContact OD1-N 2.9Å; N110-F117 PolarHBondContact OD1-O 3.18Å; N110-N118 PolarHBondContact ND2-OD1 2.86Å; N110-N118 PolarHBondContact OD1-OD1 3.03Å
111S66.4Low66.1Low98 Ų9879.2 Ų79.269%0.68541%0.414SS*.Hα-helixtrans-65.6-29.3176.4-173.50000112.8V107 F108 V109V107-S111 WeakPolarHBondContact O-CB 3.36Å; V107-S111 PolarHBondContact O-N 3.22Å; F108-S111 WeakPolarHBondContact O-CB 3.04Å; F108-S111 PolarHBondContact O-N 3.19Å; V109-S111 PolarHBondContact O-N 3.32Å
112F67.1Low67.8Low94 Ų9474.5 Ų74.541%0.41240%0.397SS..Hα-helixtrans-91.4-50.4177.1-80.9-78.6000112F108 V109 N110 G114 S154F108-F112 HydrophobicContact CD1-CD2 4.35Å; F108-F112 HydrophobicContact CD1-CE2 4.46Å; F108-F112 HydrophobicContact CD2-CE2 4.17Å; F108-F112 HydrophobicContact CE1-CD2 4.06Å; F108-F112 AromaticContact CE1-CE2 3.89Å; F108-F112 HydrophobicContact CE1-CE2 3.89Å; F108-F112 HydrophobicContact CE2-CD2 4.34Å; F108-F112 AromaticContact CE2-CE2 3.58Å; F108-F112 HydrophobicContact CE2-CE2 3.58Å; F108-F112 HydrophobicContact CZ-CD2 4.06Å; F108-F112 AromaticContact CZ-CE2 3.42Å; F108-F112 HydrophobicContact CZ-CE2 3.42Å; F108-F112 VanDerWaalsContact CZ-CE2 3.42Å; F108-F112 HydrophobicContact CZ-CZ 4.32Å; F108-F112 WeakPolarHBondContact O-CD2 3.46Å; F108-F112 PolarHBondContact O-N 2.97Å; V109-F112 PolarHBondContact O-N 2.94Å; V109-F112 VanDerWaalsContact O-N 3.09Å; N110-F112 VanDerWaalsContact C-N 3.26Å; N110-F112 PolarHBondContact O-N 3.12Å; F112-G114 VanDerWaalsContact C-N 3.31Å; F112-G114 PolarHBondContact O-N 2.88Å; F112-S154 VanDerWaalsContact O-CA 3.31Å; F112-S154 WeakPolarHBondContact O-CA 3.38Å
113L71.6Confident69.3Low6 Ų669.6 Ų69.63%0.03137%0.37CS..Hα-helixtrans-80.4-12.9-172.9-56.8-171.3000113.3V109 F117 W120 I155V109-L113 HydrophobicContact CG1-CD1 3.38Å; V109-L113 HydrophobicContact CG1-CG 3.82Å; V109-L113 WeakPolarHBondContact O-CB 3.41Å; V109-L113 WeakPolarHBondContact O-CG 3.3Å; V109-L113 PolarHBondContact O-N 3.46Å; L113-F117 HydrophobicContact CB-CB 3.66Å; L113-F117 HydrophobicContact CB-CD2 4.27Å; L113-F117 HydrophobicContact CB-CG 4.24Å; L113-F117 HydrophobicContact CD1-CB 3.94Å; L113-F117 HydrophobicContact CG-CB 4.46Å; L113-W120 HydrophobicContact CD1-CE3 3.95Å; L113-W120 HydrophobicContact CD2-CE3 3.64Å; L113-W120 HydrophobicContact CD2-CZ3 3.52Å; L113-W120 HydrophobicContact CG-CE3 4.48Å; L113-I155 HydrophobicContact CB-CD1 4.45Å; L113-I155 HydrophobicContact CD2-CD1 3.84Å; L113-I155 HydrophobicContact CD2-CG1 4.29Å; L113-I155 WeakPolarHBondContact O-CB 3.15Å
114G68.3Low70.8Confident18 Ų1864.3 Ų64.319%0.18634%0.342CS..  trans91.4170.7-173.400000113.1N110 F112 G116N110-G114 CarbonylContact O-C 3.57Å; N110-G114 VanDerWaalsContact O-CA 3.31Å; N110-G114 WeakPolarHBondContact O-CA 3.38Å; N110-G114 PolarHBondContact O-N 3.41Å; N110-G114 PolarHBondContact OD1-O 3.39Å; F112-G114 VanDerWaalsContact C-N 3.31Å; F112-G114 PolarHBondContact O-N 2.88Å; G114-G116 PolarHBondContact O-N 3.38Å
115P67.5Low72.3Confident128 Ų12858.6 Ų58.683%0.83131%0.31SS*.THydrogen-bonded Turntrans-64.6130.6-174.226.3-33.8000111.8
116G68.4Low73.9Confident40 Ų4054.9 Ų54.941%0.41229%0.294SS..THydrogen-bonded Turntrans1010.1174.500000114.9N110 G114N110-G116 PolarHBondContact OD1-N 3.16Å; G114-G116 PolarHBondContact O-N 3.38Å
117F70.2Confident75.4Confident11 Ų1152.3 Ų52.35%0.04828%0.282CS..  trans-110.795.1173.6-69.4-71.1000111N110 L113 R119 P121 V138 Q143 F147 I155N110-F117 PolarHBondContact OD1-N 2.9Å; N110-F117 PolarHBondContact OD1-O 3.18Å; L113-F117 HydrophobicContact CB-CB 3.66Å; L113-F117 HydrophobicContact CB-CD2 4.27Å; L113-F117 HydrophobicContact CB-CG 4.24Å; L113-F117 HydrophobicContact CD1-CB 3.94Å; L113-F117 HydrophobicContact CG-CB 4.46Å; F117-R119 VanDerWaalsContact C-N 3.29Å; F117-P121 HydrophobicContact CD1-CB 4.08Å; F117-P121 HydrophobicContact CD1-CG 4.04Å; F117-P121 HydrophobicContact CE1-CB 3.83Å; F117-P121 HydrophobicContact CE1-CG 3.88Å; F117-V138 HydrophobicContact CE1-CG1 4.27Å; F117-Q143 HydrophobicContact CE1-CB 3.91Å; F117-Q143 HydrophobicContact CE1-CG 4.17Å; F117-Q143 HydrophobicContact CZ-CB 3.97Å; F117-Q143 HydrophobicContact CZ-CG 4.13Å; F117-F147 HydrophobicContact CE2-CD1 4.32Å; F117-F147 AromaticContact CE2-CE1 3.89Å; F117-F147 HydrophobicContact CE2-CE1 3.89Å; F117-F147 HydrophobicContact CZ-CD1 4.18Å; F117-F147 AromaticContact CZ-CE1 3.66Å; F117-F147 HydrophobicContact CZ-CE1 3.66Å; F117-F147 AromaticContact CZ-CZ 3.97Å; F117-F147 HydrophobicContact CZ-CZ 3.97Å; F117-I155 HydrophobicContact CE2-CB 4.41Å; F117-I155 HydrophobicContact CE2-CG2 3.93Å; F117-I155 HydrophobicContact CZ-CG2 4.27Å
118N68.5Low76.9Confident68 Ų6852.6 Ų52.636%0.36428%0.275SS..SBendtrans-81-13.3175.8-63.711.1000112.8E106 N110E106-N118 HydrophobicContact CG-CB 4.08Å; E106-N118 PolarHBondContact OE2-ND2 2.8Å; N110-N118 PolarHBondContact ND2-OD1 2.86Å; N110-N118 PolarHBondContact OD1-OD1 3.03Å
119R76Confident78.3Confident178 Ų17847.5 Ų47.567%0.67225%0.254SS*.SBendtrans-146.9160.5179.3-64-175.4-179.4-179-2.9109.3F117 P121F117-R119 VanDerWaalsContact C-N 3.29Å; R119-P121 WeakPolarHBondContact O-CD 3.46Å
120W78.4Confident79.3Confident58 Ų5851.2 Ų51.222%0.2227%0.273CS..  trans-58.3122.1172.7-175.4-108.8000110.2I89 L91 L113 N123 L149 I155I89-W120 HydrophobicContact CB-CZ2 4.29Å; I89-W120 HydrophobicContact CG2-CZ2 4.05Å; I89-W120 PolarHBondContact O-NE1 3.5Å; L91-W120 HydrophobicContact CB-CD2 4.36Å; L91-W120 HydrophobicContact CD1-CD2 3.85Å; L91-W120 HydrophobicContact CD1-CE3 3.28Å; L91-W120 HydrophobicContact CD1-CH2 3.72Å; L91-W120 HydrophobicContact CD1-CZ2 4.25Å; L91-W120 HydrophobicContact CD1-CZ3 3.2Å; L91-W120 HydrophobicContact CD2-CH2 4.13Å; L91-W120 HydrophobicContact CD2-CZ2 4.37Å; L91-W120 HydrophobicContact CD2-CZ3 4.44Å; L91-W120 HydrophobicContact CG-CD2 3.85Å; L91-W120 HydrophobicContact CG-CE3 3.76Å; L91-W120 HydrophobicContact CG-CH2 3.64Å; L91-W120 HydrophobicContact CG-CZ2 3.74Å; L91-W120 HydrophobicContact CG-CZ3 3.66Å; L113-W120 HydrophobicContact CD1-CE3 3.95Å; L113-W120 HydrophobicContact CD2-CE3 3.64Å; L113-W120 HydrophobicContact CD2-CZ3 3.52Å; L113-W120 HydrophobicContact CG-CE3 4.48Å; W120-N123 VanDerWaalsContact CZ2-ND2 3.3Å; W120-N123 WeakPolarHBondContact CZ2-ND2 3.3Å; W120-N123 PolarHBondContact NE1-ND2 3.37Å; W120-L149 HydrophobicContact CH2-CD1 3.99Å; W120-L149 HydrophobicContact CH2-CD2 3.87Å; W120-L149 HydrophobicContact CZ3-CD1 4.35Å; W120-I155 HydrophobicContact CE3-CD1 4.43Å; W120-I155 HydrophobicContact CH2-CD1 4.21Å; W120-I155 HydrophobicContact CZ3-CD1 3.78Å
121P81.3Confident80.2Confident4 Ų451.2 Ų51.23%0.02627%0.273CS..  trans-70.4152.8-175.525.6-32.7000111.8F117 R119 N123 V138 S140 I155F117-P121 HydrophobicContact CD1-CB 4.08Å; F117-P121 HydrophobicContact CD1-CG 4.04Å; F117-P121 HydrophobicContact CE1-CB 3.83Å; F117-P121 HydrophobicContact CE1-CG 3.88Å; R119-P121 WeakPolarHBondContact O-CD 3.46Å; P121-N123 PolarHBondContact O-N 3.17Å; P121-N123 PolarHBondContact O-ND2 3.28Å; P121-V138 HydrophobicContact CB-CG1 3.61Å; P121-V138 HydrophobicContact CB-CG2 4.5Å; P121-V138 HydrophobicContact CG-CG1 4.37Å; P121-V138 HydrophobicContact CG-CG2 4.43Å; P121-S140 VanDerWaalsContact CB-OG 3.29Å; P121-S140 WeakPolarHBondContact CB-OG 3.2Å; P121-I155 HydrophobicContact CG-CD1 4.19Å
122I86.3Confident81.2Confident91 Ų9148.6 Ų48.647%0.46726%0.262SS..  trans-67.9108.2163.8-60.1175.7000106.7L44 Y124 F139L44-I122 HydrophobicContact CD1-CG2 3.78Å; L44-I122 HydrophobicContact CD2-CG2 4.41Å; I122-Y124 HydrophobicContact CG2-CE2 3.92Å; I122-F139 HydrophobicContact CG2-CB 4.32Å; I122-F139 PolarHBondContact O-N 2.74Å
123N90Very high82.3Confident0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-136.9155.5-174.373.584.5000111.4S88 I89 W120 P121 I136 F137 V138S88-N123 WeakPolarHBondContact CA-O 3.3Å; S88-N123 WeakPolarHBondContact CB-O 3.4Å; S88-N123 PolarHBondContact OG-O 2.76Å; I89-N123 WeakPolarHBondContact CB-OD1 3.41Å; W120-N123 VanDerWaalsContact CZ2-ND2 3.3Å; W120-N123 WeakPolarHBondContact CZ2-ND2 3.3Å; W120-N123 PolarHBondContact NE1-ND2 3.37Å; P121-N123 PolarHBondContact O-N 3.17Å; P121-N123 PolarHBondContact O-ND2 3.28Å; N123-I136 HydrophobicContact CB-CB 4.24Å; N123-I136 HydrophobicContact CB-CD1 4.04Å; N123-F137 CarbonylContact C-O 3.32Å; N123-F137 WeakPolarHBondContact CA-O 3.47Å; N123-V138 HydrophobicContact CB-CG2 4.11Å
124Y92.4Very high83.3Confident11 Ų1144.8 Ų44.84%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-133.5138-179-73.6-99.3000111.1W38 N42 L44 F86 K87 I122 L126 I136 F137 F139W38-Y124 AromaticContact CH2-CD1 3.93Å; W38-Y124 HydrophobicContact CH2-CD1 3.93Å; W38-Y124 AromaticContact CH2-CE1 3.77Å; W38-Y124 HydrophobicContact CH2-CE1 3.77Å; W38-Y124 HydrophobicContact CH2-CG 4.35Å; W38-Y124 AromaticContact CZ2-CD1 3.52Å; W38-Y124 HydrophobicContact CZ2-CD1 3.52Å; W38-Y124 AromaticContact CZ2-CE1 3.42Å; W38-Y124 HydrophobicContact CZ2-CE1 3.42Å; W38-Y124 VanDerWaalsContact CZ2-CE1 3.42Å; W38-Y124 HydrophobicContact CZ2-CG 4.32Å; N42-Y124 WeakPolarHBondContact CB-OH 3.29Å; N42-Y124 VanDerWaalsContact CG-OH 3.26Å; N42-Y124 WeakPolarHBondContact OD1-CE1 3.25Å; N42-Y124 PolarHBondContact OD1-OH 2.92Å; L44-Y124 HydrophobicContact CD1-CD2 4.19Å; L44-Y124 HydrophobicContact CD1-CE2 3.23Å; F86-Y124 HydrophobicContact CD1-CD1 4.16Å; F86-Y124 HydrophobicContact CD1-CG 4.31Å; F86-Y124 HydrophobicContact CE1-CD1 4.26Å; F86-Y124 AromaticContact CE1-CG 3.96Å; F86-Y124 HydrophobicContact CE1-CG 3.96Å; F86-Y124 HydrophobicContact CZ-CG 4.18Å; F86-Y124 WeakPolarHBondContact O-CD1 3.49Å; K87-Y124 WeakPolarHBondContact O-CA 3.36Å; I122-Y124 HydrophobicContact CG2-CE2 3.92Å; Y124-L126 PolarHBondContact O-N 3.49Å; Y124-I136 CarbonylContact O-C 3.53Å; Y124-I136 VanDerWaalsContact O-CA 3.28Å; Y124-I136 WeakPolarHBondContact O-CA 3.33Å; Y124-F137 PolarHBondContact N-O 2.9Å; Y124-F137 PolarHBondContact O-N 2.92Å; Y124-F139 AromaticContact CD2-CD2 3.83Å; Y124-F139 HydrophobicContact CD2-CD2 3.83Å; Y124-F139 AromaticContact CD2-CE2 3.82Å; Y124-F139 HydrophobicContact CD2-CE2 3.82Å; Y124-F139 HydrophobicContact CE2-CD2 4.39Å; Y124-F139 HydrophobicContact CG-CE2 4.44Å
125E94.1Very high84.6Confident13 Ų1344 Ų446%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-72.1105.3-177.3-174.3-172.6129.500111.6N81 F86 K87 I89 K128 T134N81-E125 PolarHBondContact ND2-O 3.36Å; N81-E125 VanDerWaalsContact ND2-O 3.07Å; N81-E125 PolarHBondContact ND2-OE1 3.34Å; N81-E125 VanDerWaalsContact ND2-OE1 3.13Å; F86-E125 WeakPolarHBondContact CD2-O 3.45Å; K87-E125 WeakPolarHBondContact CE-OE2 3.11Å; K87-E125 HydrophobicContact CG-CB 4.46Å; K87-E125 IonicContact NZ-OE2 2.68Å; K87-E125 PolarHBondContact O-N 3.12Å; I89-E125 HydrophobicContact CD1-CB 4.13Å; I89-E125 HydrophobicContact CD1-CG 4.44Å; I89-E125 HydrophobicContact CG1-CB 4.1Å; E125-K128 HydrophobicContact CG-CG 4.4Å; E125-K128 WeakPolarHBondContact OE1-CE 3.45Å; E125-K128 VanDerWaalsContact OE1-CG 3.3Å; E125-K128 WeakPolarHBondContact OE1-CG 3.49Å; E125-K128 WeakPolarHBondContact OE2-CE 3.41Å; E125-K128 IonicContact OE2-NZ 2.71Å; E125-T134 HydrophobicContact CB-CG2 4.43Å; E125-T134 HydrophobicContact CG-CG2 3.61Å
126L93.4Very high85.8Confident0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-81.9-44.4178.1-169.569.6000112.1L50 I80 N81 F86 Y124 V135 V146 F162 Y165L50-L126 HydrophobicContact CD1-CD1 4.21Å; I80-L126 HydrophobicContact CD1-CD2 4.34Å; I80-L126 HydrophobicContact CD1-CG 4.2Å; I80-L126 HydrophobicContact CG2-CD1 3.86Å; I80-L126 HydrophobicContact CG2-CG 4.32Å; N81-L126 WeakPolarHBondContact CB-O 3.44Å; N81-L126 PolarHBondContact N-O 3.07Å; F86-L126 HydrophobicContact CD2-CD1 4.41Å; F86-L126 HydrophobicContact CE2-CB 4.25Å; F86-L126 HydrophobicContact CE2-CD1 3.89Å; Y124-L126 PolarHBondContact O-N 3.49Å; L126-V135 HydrophobicContact CB-CG1 4.34Å; L126-V135 WeakPolarHBondContact CB-O 3.15Å; L126-V135 HydrophobicContact CD2-CG1 4.2Å; L126-V135 PolarHBondContact N-O 3.49Å; L126-V146 HydrophobicContact CD2-CG1 4.36Å; L126-F162 HydrophobicContact CD1-CD2 4.02Å; L126-F162 HydrophobicContact CD1-CE2 3.91Å; L126-F162 HydrophobicContact CD2-CD2 3.88Å; L126-F162 HydrophobicContact CD2-CE2 4.06Å; L126-F162 HydrophobicContact CG-CE2 4.43Å; L126-Y165 HydrophobicContact CD2-CD1 3.91Å; L126-Y165 HydrophobicContact CD2-CE1 4.02Å
127E93Very high87Confident2 Ų236.3 Ų36.31%0.00918%0.18CC..EExtended strand (participates in β ladder)trans-152.3144.5-176.9175.3162.5-174.600110.5K79 V135 Y165K79-E127 HydrophobicContact CB-CG 4.29Å; K79-E127 VanDerWaalsContact N-CD 3.28Å; K79-E127 PolarHBondContact N-OE1 3.37Å; K79-E127 PolarHBondContact N-OE2 3.38Å; K79-E127 WeakPolarHBondContact O-CB 3.37Å; K79-E127 WeakPolarHBondContact O-CG 3.46Å; E127-V135 HydrophobicContact CB-CB 4.16Å; E127-V135 PolarHBondContact N-O 3.33Å; E127-V135 PolarHBondContact O-N 2.85Å; E127-Y165 PolarHBondContact OE2-OH 2.9Å
128K91.5Very high88Confident109 Ų10935.8 Ų35.847%0.47418%0.178SC..EExtended strand (participates in β ladder)trans-101.5120.7163.1-71.6-172.6178.7-161.40110.4E125 T134E125-K128 HydrophobicContact CG-CG 4.4Å; E125-K128 WeakPolarHBondContact OE1-CE 3.45Å; E125-K128 VanDerWaalsContact OE1-CG 3.3Å; E125-K128 WeakPolarHBondContact OE1-CG 3.49Å; E125-K128 WeakPolarHBondContact OE2-CE 3.41Å; E125-K128 IonicContact OE2-NZ 2.71Å; K128-T134 HydrophobicContact CG-CG2 4.46Å
129C90.2Very high88.8Confident13 Ų1333.8 Ų33.89%0.08817%0.166CC..  trans-74.8157.4177.2-61.30000111.3N131 G132 A133 Q179C129-N131 WeakPolarHBondContact CB-OD1 3.05Å; C129-N131 PolarHBondContact O-N 3.31Å; C129-G132 PolarHBondContact O-N 3.35Å; C129-G132 VanDerWaalsContact O-N 3.11Å; C129-A133 HydrophobicContact CB-CB 4.4Å; C129-A133 VanDerWaalsContact CB-O 3.29Å; C129-A133 WeakPolarHBondContact CB-O 3.21Å; C129-A133 PolarHBondContact N-O 3.21Å; C129-Q179 PolarHBondContact SG-NE2 3.44Å
130L85.6Confident89Confident94 Ų9426.6 Ų26.649%0.49214%0.143SC..THydrogen-bonded Turntrans-62.5-26.6179-70.8172.3000113.6A74 L77 G132 Q176A74-L130 HydrophobicContact CB-CD1 4.14Å; L77-L130 HydrophobicContact CB-CD1 4.22Å; L77-L130 HydrophobicContact CD2-CD1 4.37Å; L77-L130 HydrophobicContact CD2-CD2 3.96Å; L77-L130 HydrophobicContact CD2-CG 3.92Å; L130-G132 VanDerWaalsContact C-N 3.28Å; L130-G132 PolarHBondContact O-N 3.39Å; L130-Q176 HydrophobicContact CB-CG 4.23Å; L130-Q176 HydrophobicContact CD1-CG 4.13Å
131N84.6Confident88.5Confident40 Ų4030.8 Ų30.821%0.21417%0.17CC..THydrogen-bonded Turntrans-81.7-0.6177.967.31.3000114.3C129 A133 N151 D177C129-N131 WeakPolarHBondContact CB-OD1 3.05Å; C129-N131 PolarHBondContact O-N 3.31Å; N131-A133 WeakPolarHBondContact OD1-CB 3.35Å; N131-A133 PolarHBondContact OD1-N 3.35Å; N131-N151 PolarHBondContact O-ND2 3.33Å; N131-N151 VanDerWaalsContact O-ND2 3.15Å; N131-D177 VanDerWaalsContact CB-OD1 3.23Å; N131-D177 WeakPolarHBondContact CB-OD1 3.26Å; N131-D177 PolarHBondContact ND2-OD1 2.93Å
132G86.7Confident88Confident43 Ų4337.4 Ų37.444%0.44321%0.205SC..SBendtrans92.3-15.2-176.900000115C129 L130 N151C129-G132 PolarHBondContact O-N 3.35Å; C129-G132 VanDerWaalsContact O-N 3.11Å; L130-G132 VanDerWaalsContact C-N 3.28Å; L130-G132 PolarHBondContact O-N 3.39Å; G132-N151 VanDerWaalsContact C-OD1 3.3Å; G132-N151 PolarHBondContact O-OD1 3.29Å
133A90.8Very high87.5Confident2 Ų235.8 Ų35.82%0.01720%0.195CC..  trans-63.4152.8172.700000110.5C129 N131 I148 L149C129-A133 HydrophobicContact CB-CB 4.4Å; C129-A133 VanDerWaalsContact CB-O 3.29Å; C129-A133 WeakPolarHBondContact CB-O 3.21Å; C129-A133 PolarHBondContact N-O 3.21Å; N131-A133 WeakPolarHBondContact OD1-CB 3.35Å; N131-A133 PolarHBondContact OD1-N 3.35Å; A133-I148 HydrophobicContact CB-CD1 3.88Å; A133-I148 HydrophobicContact CB-CG1 4.04Å; A133-L149 WeakPolarHBondContact CA-O 3.33Å
134T93.1Very high87.2Confident18 Ų1841.4 Ų41.411%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-123.4126.8-175.1-590000109.9I89 E125 K128 I136 L149I89-T134 HydrophobicContact CD1-CG2 3.57Å; E125-T134 HydrophobicContact CB-CG2 4.43Å; E125-T134 HydrophobicContact CG-CG2 3.61Å; K128-T134 HydrophobicContact CG-CG2 4.46Å; T134-I136 HydrophobicContact CG2-CG2 3.99Å; T134-L149 PolarHBondContact N-O 3.5Å; T134-L149 WeakPolarHBondContact O-CB 3.5Å; T134-L149 PolarHBondContact O-N 2.76Å
135V94.3Very high87.2Confident0 Ų040.9 Ų40.90%022%0.218CC..EExtended strand (participates in β ladder)trans-85124.1173-179.30000108L126 E127 V146 F147 Y165 Q179L126-V135 HydrophobicContact CB-CG1 4.34Å; L126-V135 WeakPolarHBondContact CB-O 3.15Å; L126-V135 HydrophobicContact CD2-CG1 4.2Å; L126-V135 PolarHBondContact N-O 3.49Å; E127-V135 HydrophobicContact CB-CB 4.16Å; E127-V135 PolarHBondContact N-O 3.33Å; E127-V135 PolarHBondContact O-N 2.85Å; V135-V146 HydrophobicContact CG1-CG1 3.39Å; V135-F147 CarbonylContact C-O 3.51Å; V135-F147 WeakPolarHBondContact CA-O 3.36Å; V135-Y165 HydrophobicContact CG1-CD2 4.41Å; V135-Y165 HydrophobicContact CG1-CE2 3.74Å; V135-Y165 HydrophobicContact CG2-CE2 4.33Å; V135-Q179 HydrophobicContact CG2-CG 4.21Å
136I93.9Very high87.1Confident0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-118.2143.3-175.960.4173.3000110.7I89 N123 Y124 T134 V138 F147 L149 I155I89-I136 HydrophobicContact CD1-CG2 3.51Å; N123-I136 HydrophobicContact CB-CB 4.24Å; N123-I136 HydrophobicContact CB-CD1 4.04Å; Y124-I136 CarbonylContact O-C 3.53Å; Y124-I136 VanDerWaalsContact O-CA 3.28Å; Y124-I136 WeakPolarHBondContact O-CA 3.33Å; T134-I136 HydrophobicContact CG2-CG2 3.99Å; I136-V138 HydrophobicContact CD1-CG2 3.97Å; I136-V138 HydrophobicContact CG1-CG2 4.15Å; I136-F147 HydrophobicContact CD1-CB 4.38Å; I136-F147 HydrophobicContact CG1-CB 3.89Å; I136-F147 PolarHBondContact N-O 3Å; I136-F147 PolarHBondContact O-N 3.2Å; I136-L149 HydrophobicContact CD1-CB 4.22Å; I136-L149 HydrophobicContact CG2-CB 4.4Å; I136-I155 HydrophobicContact CD1-CD1 4.16Å; I136-I155 HydrophobicContact CD1-CG2 4.39Å
137F93Very high87Confident7 Ų740.5 Ų40.53%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-96.7121.5167.4-156.8-74.2000109P47 L50 F86 N123 Y124 F139 V146 F162P47-F137 HydrophobicContact CB-CZ 4.37Å; P47-F137 HydrophobicContact CG-CE1 3.58Å; P47-F137 HydrophobicContact CG-CE2 4.26Å; P47-F137 HydrophobicContact CG-CZ 3.44Å; P47-F137 VanDerWaalsContact CG-CZ 3.44Å; L50-F137 HydrophobicContact CD2-CD2 4.49Å; F86-F137 HydrophobicContact CE2-CB 4.29Å; F86-F137 HydrophobicContact CZ-CB 3.91Å; N123-F137 CarbonylContact C-O 3.32Å; N123-F137 WeakPolarHBondContact CA-O 3.47Å; Y124-F137 PolarHBondContact N-O 2.9Å; Y124-F137 PolarHBondContact O-N 2.92Å; F137-F139 HydrophobicContact CB-CE2 4.2Å; F137-F139 AromaticContact CD1-CD2 3.89Å; F137-F139 HydrophobicContact CD1-CD2 3.89Å; F137-F139 HydrophobicContact CD1-CE1 4.17Å; F137-F139 AromaticContact CD1-CE2 3.44Å; F137-F139 HydrophobicContact CD1-CE2 3.44Å; F137-F139 VanDerWaalsContact CD1-CE2 3.44Å; F137-F139 HydrophobicContact CD1-CG 4.43Å; F137-F139 AromaticContact CD1-CZ 3.59Å; F137-F139 HydrophobicContact CD1-CZ 3.59Å; F137-F139 HydrophobicContact CE1-CE1 4.2Å; F137-F139 HydrophobicContact CE1-CE2 4.27Å; F137-F139 HydrophobicContact CE1-CZ 4.03Å; F137-F139 HydrophobicContact CG-CE2 4.15Å; F137-F139 HydrophobicContact CG-CZ 4.4Å; F137-V146 HydrophobicContact CD2-CG2 3.73Å; F137-V146 HydrophobicContact CE2-CG2 3.75Å; F137-F162 HydrophobicContact CE2-CB 4.11Å
138V90.5Very high86.9Confident0 Ų040.4 Ų40.40%022%0.216CC..EExtended strand (participates in β ladder)trans-101.6132-176.7179.80000110.8F117 P121 N123 I136 Q143 K144 G145 F147F117-V138 HydrophobicContact CE1-CG1 4.27Å; P121-V138 HydrophobicContact CB-CG1 3.61Å; P121-V138 HydrophobicContact CB-CG2 4.5Å; P121-V138 HydrophobicContact CG-CG1 4.37Å; P121-V138 HydrophobicContact CG-CG2 4.43Å; N123-V138 HydrophobicContact CB-CG2 4.11Å; I136-V138 HydrophobicContact CD1-CG2 3.97Å; I136-V138 HydrophobicContact CG1-CG2 4.15Å; V138-Q143 VanDerWaalsContact CG1-O 3.3Å; V138-Q143 WeakPolarHBondContact CG1-O 3.29Å; V138-K144 WeakPolarHBondContact O-CA 3.47Å; V138-G145 PolarHBondContact N-O 3.46Å; V138-G145 PolarHBondContact O-N 3.24Å; V138-F147 HydrophobicContact CB-CD2 3.79Å; V138-F147 HydrophobicContact CB-CE2 3.8Å; V138-F147 HydrophobicContact CG2-CB 4.34Å; V138-F147 HydrophobicContact CG2-CD2 3.44Å; V138-F147 VanDerWaalsContact CG2-CD2 3.44Å; V138-F147 HydrophobicContact CG2-CE2 3.92Å; V138-F147 HydrophobicContact CG2-CG 4Å
139F85.9Confident86.9Confident26 Ų2635.9 Ų35.911%0.11420%0.197CC..EExtended strand (participates in β ladder)trans-111.211.6-176.4-72.1-91.1000114.3L44 L46 P47 F86 I122 Y124 F137L44-F139 HydrophobicContact CD1-CD2 4.42Å; L44-F139 HydrophobicContact CD1-CG 4.35Å; L44-F139 HydrophobicContact CD2-CB 4.31Å; L46-F139 HydrophobicContact CD2-CZ 4.19Å; P47-F139 HydrophobicContact CG-CE1 4.19Å; P47-F139 HydrophobicContact CG-CZ 4.48Å; F86-F139 HydrophobicContact CE1-CE2 4.44Å; F86-F139 HydrophobicContact CZ-CE2 4.38Å; I122-F139 HydrophobicContact CG2-CB 4.32Å; I122-F139 PolarHBondContact O-N 2.74Å; Y124-F139 AromaticContact CD2-CD2 3.83Å; Y124-F139 HydrophobicContact CD2-CD2 3.83Å; Y124-F139 AromaticContact CD2-CE2 3.82Å; Y124-F139 HydrophobicContact CD2-CE2 3.82Å; Y124-F139 HydrophobicContact CE2-CD2 4.39Å; Y124-F139 HydrophobicContact CG-CE2 4.44Å; F137-F139 HydrophobicContact CB-CE2 4.2Å; F137-F139 AromaticContact CD1-CD2 3.89Å; F137-F139 HydrophobicContact CD1-CD2 3.89Å; F137-F139 HydrophobicContact CD1-CE1 4.17Å; F137-F139 AromaticContact CD1-CE2 3.44Å; F137-F139 HydrophobicContact CD1-CE2 3.44Å; F137-F139 VanDerWaalsContact CD1-CE2 3.44Å; F137-F139 HydrophobicContact CD1-CG 4.43Å; F137-F139 AromaticContact CD1-CZ 3.59Å; F137-F139 HydrophobicContact CD1-CZ 3.59Å; F137-F139 HydrophobicContact CE1-CE1 4.2Å; F137-F139 HydrophobicContact CE1-CE2 4.27Å; F137-F139 HydrophobicContact CE1-CZ 4.03Å; F137-F139 HydrophobicContact CG-CE2 4.15Å; F137-F139 HydrophobicContact CG-CZ 4.4Å
140S79.3Confident86.8Confident28 Ų2836 Ų3620%0.19620%0.196CC..  trans-67.9148.8-178.5-600000112.7P121 N142 Q143 K144P121-S140 VanDerWaalsContact CB-OG 3.29Å; P121-S140 WeakPolarHBondContact CB-OG 3.2Å; S140-N142 VanDerWaalsContact C-N 3.3Å; S140-N142 PolarHBondContact O-N 3.5Å; S140-Q143 PolarHBondContact N-O 3.11Å; S140-Q143 CarbonylContact O-C 3.53Å; S140-Q143 PolarHBondContact O-N 2.86Å; S140-K144 VanDerWaalsContact O-CE 3.22Å; S140-K144 WeakPolarHBondContact O-CE 3.29Å; S140-K144 WeakPolarHBondContact O-CG 3.48Å
141D68.9Low86.7Confident146 Ų14637.3 Ų37.378%0.78120%0.204SC*.SBendtrans-61.3-36-177.2-69.6-37000113.8
142N70.3Confident86.6Confident143 Ų14339.9 Ų39.977%0.76522%0.218SC*.SBendtrans-86.9-20.5-178.1-64.8-10.6000113.6S140S140-N142 VanDerWaalsContact C-N 3.3Å; S140-N142 PolarHBondContact O-N 3.5Å
143Q75.3Confident86.2Confident56 Ų5641.1 Ų41.126%0.26221%0.214SC..  trans-144.5110.6-173.6-68.3-62.1-23.200108.5F117 V138 S140 F147F117-Q143 HydrophobicContact CE1-CB 3.91Å; F117-Q143 HydrophobicContact CE1-CG 4.17Å; F117-Q143 HydrophobicContact CZ-CB 3.97Å; F117-Q143 HydrophobicContact CZ-CG 4.13Å; V138-Q143 VanDerWaalsContact CG1-O 3.3Å; V138-Q143 WeakPolarHBondContact CG1-O 3.29Å; S140-Q143 PolarHBondContact N-O 3.11Å; S140-Q143 CarbonylContact O-C 3.53Å; S140-Q143 PolarHBondContact O-N 2.86Å; Q143-F147 HydrophobicContact CB-CZ 4.14Å
144K85.4Confident85.9Confident118 Ų11841.7 Ų41.751%0.51322%0.218SC..EExtended strand (participates in β ladder)trans-122.9144.3174.6-61.5-174.8-179.31760110.1V138 S140V138-K144 WeakPolarHBondContact O-CA 3.47Å; S140-K144 VanDerWaalsContact O-CE 3.22Å; S140-K144 WeakPolarHBondContact O-CE 3.29Å; S140-K144 WeakPolarHBondContact O-CG 3.48Å
145G90.6Very high85.6Confident1 Ų141.2 Ų41.21%0.0121%0.214CC..EExtended strand (participates in β ladder)trans136.9-158175.300000113V138 C160V138-G145 PolarHBondContact N-O 3.46Å; V138-G145 PolarHBondContact O-N 3.24Å; G145-C160 VanDerWaalsContact CA-O 3.31Å; G145-C160 WeakPolarHBondContact CA-O 3.43Å
146V92.5Very high85.2Confident0 Ų043.1 Ų43.10%022%0.223CC..EExtended strand (participates in β ladder)trans-106.9126-176.1-173.50000109.5L126 V135 F137 I158 C159 Y165L126-V146 HydrophobicContact CD2-CG1 4.36Å; V135-V146 HydrophobicContact CG1-CG1 3.39Å; F137-V146 HydrophobicContact CD2-CG2 3.73Å; F137-V146 HydrophobicContact CE2-CG2 3.75Å; V146-I158 PolarHBondContact O-N 3.22Å; V146-C159 PolarHBondContact N-O 2.9Å; V146-C159 PolarHBondContact O-N 2.94Å; V146-Y165 HydrophobicContact CB-CD2 4.36Å; V146-Y165 HydrophobicContact CG1-CD2 3.56Å; V146-Y165 HydrophobicContact CG1-CE2 4.07Å; V146-Y165 HydrophobicContact CG1-CG 3.9Å; V146-Y165 HydrophobicContact CG2-CG 4.47Å
147F91.7Very high84.9Confident5 Ų546.5 Ų46.52%0.02224%0.238CC..EExtended strand (participates in β ladder)trans-125157.1-178-64.6-109.5000109.9F117 V135 I136 V138 Q143 I155 H156 K157F117-F147 HydrophobicContact CE2-CD1 4.32Å; F117-F147 AromaticContact CE2-CE1 3.89Å; F117-F147 HydrophobicContact CE2-CE1 3.89Å; F117-F147 HydrophobicContact CZ-CD1 4.18Å; F117-F147 AromaticContact CZ-CE1 3.66Å; F117-F147 HydrophobicContact CZ-CE1 3.66Å; F117-F147 AromaticContact CZ-CZ 3.97Å; F117-F147 HydrophobicContact CZ-CZ 3.97Å; V135-F147 CarbonylContact C-O 3.51Å; V135-F147 WeakPolarHBondContact CA-O 3.36Å; I136-F147 HydrophobicContact CD1-CB 4.38Å; I136-F147 HydrophobicContact CG1-CB 3.89Å; I136-F147 PolarHBondContact N-O 3Å; I136-F147 PolarHBondContact O-N 3.2Å; V138-F147 HydrophobicContact CB-CD2 3.79Å; V138-F147 HydrophobicContact CB-CE2 3.8Å; V138-F147 HydrophobicContact CG2-CB 4.34Å; V138-F147 HydrophobicContact CG2-CD2 3.44Å; V138-F147 VanDerWaalsContact CG2-CD2 3.44Å; V138-F147 HydrophobicContact CG2-CE2 3.92Å; V138-F147 HydrophobicContact CG2-CG 4Å; Q143-F147 HydrophobicContact CB-CZ 4.14Å; F147-I155 HydrophobicContact CB-CG2 3.72Å; F147-I155 HydrophobicContact CD1-CG2 3.53Å; F147-I155 HydrophobicContact CE1-CG2 4.43Å; F147-I155 HydrophobicContact CG-CG2 3.92Å; F147-H156 CarbonylContact C-O 3.54Å; F147-H156 WeakPolarHBondContact CA-O 3.36Å; F147-H156 WeakPolarHBondContact CB-O 3.23Å; F147-K157 HydrophobicContact CD1-CB 3.68Å; F147-K157 HydrophobicContact CD1-CG 4.16Å; F147-K157 VanDerWaalsContact CD1-N 3.34Å; F147-K157 HydrophobicContact CE1-CB 3.38Å; F147-K157 HydrophobicContact CE1-CD 4.19Å; F147-K157 HydrophobicContact CE1-CG 3.71Å; F147-K157 HydrophobicContact CE2-CG 4.14Å; F147-K157 HydrophobicContact CG-CB 4.45Å; F147-K157 HydrophobicContact CZ-CB 3.92Å; F147-K157 HydrophobicContact CZ-CD 3.89Å; F147-K157 HydrophobicContact CZ-CG 3.68Å
148I91.4Very high84.7Confident0 Ų046.5 Ų46.50%024%0.238CC..EExtended strand (participates in β ladder)trans-100.7130.3164.3-175.9160.4000108.9A133 I155 H156 I158 Q179 T183A133-I148 HydrophobicContact CB-CD1 3.88Å; A133-I148 HydrophobicContact CB-CG1 4.04Å; I148-I155 WeakPolarHBondContact O-CA 3.42Å; I148-H156 HydrophobicContact CG2-CB 3.87Å; I148-H156 PolarHBondContact N-O 2.81Å; I148-H156 PolarHBondContact O-N 2.96Å; I148-I158 HydrophobicContact CB-CD1 4.05Å; I148-I158 HydrophobicContact CB-CG1 4.38Å; I148-I158 HydrophobicContact CG2-CD1 4.4Å; I148-I158 HydrophobicContact CG2-CG1 4.23Å; I148-Q179 HydrophobicContact CD1-CB 3.72Å; I148-T183 HydrophobicContact CG2-CG2 3.56Å
149L90.9Very high84.6Confident14 Ų1446.6 Ų46.67%0.07324%0.239CC..EExtended strand (participates in β ladder)trans-98.2108.7166.2174.966.8000107.5I89 W120 A133 T134 I136 S154 I155I89-L149 HydrophobicContact CD1-CD2 4.3Å; W120-L149 HydrophobicContact CH2-CD1 3.99Å; W120-L149 HydrophobicContact CH2-CD2 3.87Å; W120-L149 HydrophobicContact CZ3-CD1 4.35Å; A133-L149 WeakPolarHBondContact CA-O 3.33Å; T134-L149 PolarHBondContact N-O 3.5Å; T134-L149 WeakPolarHBondContact O-CB 3.5Å; T134-L149 PolarHBondContact O-N 2.76Å; I136-L149 HydrophobicContact CD1-CB 4.22Å; I136-L149 HydrophobicContact CG2-CB 4.4Å; L149-S154 WeakPolarHBondContact CA-O 2.96Å; L149-I155 HydrophobicContact CD1-CD1 4.24Å; L149-I155 HydrophobicContact CD1-CG1 3.67Å
150N87.6Confident84.7Confident15 Ų1547.1 Ų47.18%0.0825%0.245CC..  trans-78.6168.7178.4-77.2-31.6000111.6D152 L153 S154 D185N150-D152 WeakPolarHBondContact CB-OD1 3.46Å; N150-D152 PolarHBondContact O-N 2.78Å; N150-L153 PolarHBondContact O-N 3.04Å; N150-S154 WeakPolarHBondContact CB-OG 3.42Å; N150-S154 PolarHBondContact N-O 3.49Å; N150-S154 PolarHBondContact ND2-OG 2.99Å; N150-D185 PolarHBondContact ND2-OD2 2.88Å
151N84Confident85.3Confident121 Ų12148 Ų4865%0.64725%0.249SC*.THydrogen-bonded Turntrans-66-21-179.8-67.6-24.4000113.4N131 G132 L153N131-N151 PolarHBondContact O-ND2 3.33Å; N131-N151 VanDerWaalsContact O-ND2 3.15Å; G132-N151 VanDerWaalsContact C-OD1 3.3Å; G132-N151 PolarHBondContact O-OD1 3.29Å; N151-L153 VanDerWaalsContact C-N 3.28Å
152D81.8Confident86.4Confident95 Ų9541 Ų4151%0.50821%0.212SC..THydrogen-bonded Turntrans-88.36.9175.267.2-11.2000113.3N150 S154N150-D152 WeakPolarHBondContact CB-OD1 3.46Å; N150-D152 PolarHBondContact O-N 2.78Å; D152-S154 PolarHBondContact O-N 2.95Å; D152-S154 VanDerWaalsContact OD1-CB 3.29Å; D152-S154 WeakPolarHBondContact OD1-CB 3.46Å; D152-S154 PolarHBondContact OD1-N 2.92Å; D152-S154 PolarHBondContact OD1-OG 3.46Å; D152-S154 PolarHBondContact OD2-OG 3.49Å
153L80Confident87.4Confident68 Ų6836.4 Ų36.436%0.35619%0.186SC..SBendtrans718.1-176.2-49.8174.1000115.1L91 N150 N151L91-L153 HydrophobicContact CD2-CD2 4.17Å; N150-L153 PolarHBondContact O-N 3.04Å; N151-L153 VanDerWaalsContact C-N 3.28Å
154S82.9Confident88.2Confident15 Ų1535 Ų3511%0.10518%0.179CC..  trans-66.9136170.264.60000110.9F112 L149 N150 D152 H156F112-S154 VanDerWaalsContact O-CA 3.31Å; F112-S154 WeakPolarHBondContact O-CA 3.38Å; L149-S154 WeakPolarHBondContact CA-O 2.96Å; N150-S154 WeakPolarHBondContact CB-OG 3.42Å; N150-S154 PolarHBondContact N-O 3.49Å; N150-S154 PolarHBondContact ND2-OG 2.99Å; D152-S154 PolarHBondContact O-N 2.95Å; D152-S154 VanDerWaalsContact OD1-CB 3.29Å; D152-S154 WeakPolarHBondContact OD1-CB 3.46Å; D152-S154 PolarHBondContact OD1-N 2.92Å; D152-S154 PolarHBondContact OD1-OG 3.46Å; D152-S154 PolarHBondContact OD2-OG 3.49Å; S154-H156 WeakPolarHBondContact CB-NE2 3.47Å; S154-H156 PolarHBondContact OG-NE2 3.28Å
155I86.7Confident88.6Confident8 Ų829.4 Ų29.44%0.04116%0.155CC..EExtended strand (participates in β ladder)trans-113.1120.6176.8-61.5-180000108.5L113 F117 W120 P121 I136 F147 I148 L149L113-I155 HydrophobicContact CB-CD1 4.45Å; L113-I155 HydrophobicContact CD2-CD1 3.84Å; L113-I155 HydrophobicContact CD2-CG1 4.29Å; L113-I155 WeakPolarHBondContact O-CB 3.15Å; F117-I155 HydrophobicContact CE2-CB 4.41Å; F117-I155 HydrophobicContact CE2-CG2 3.93Å; F117-I155 HydrophobicContact CZ-CG2 4.27Å; W120-I155 HydrophobicContact CE3-CD1 4.43Å; W120-I155 HydrophobicContact CH2-CD1 4.21Å; W120-I155 HydrophobicContact CZ3-CD1 3.78Å; P121-I155 HydrophobicContact CG-CD1 4.19Å; I136-I155 HydrophobicContact CD1-CD1 4.16Å; I136-I155 HydrophobicContact CD1-CG2 4.39Å; F147-I155 HydrophobicContact CB-CG2 3.72Å; F147-I155 HydrophobicContact CD1-CG2 3.53Å; F147-I155 HydrophobicContact CE1-CG2 4.43Å; F147-I155 HydrophobicContact CG-CG2 3.92Å; I148-I155 WeakPolarHBondContact O-CA 3.42Å; L149-I155 HydrophobicContact CD1-CD1 4.24Å; L149-I155 HydrophobicContact CD1-CG1 3.67Å
156H86.2Confident88.7Confident39 Ų3929.3 Ų29.318%0.18115%0.154CC..EExtended strand (participates in β ladder)trans-121.1132.7178.5-63.2-88000110.8F147 I148 S154 I158 T183F147-H156 CarbonylContact C-O 3.54Å; F147-H156 WeakPolarHBondContact CA-O 3.36Å; F147-H156 WeakPolarHBondContact CB-O 3.23Å; I148-H156 HydrophobicContact CG2-CB 3.87Å; I148-H156 PolarHBondContact N-O 2.81Å; I148-H156 PolarHBondContact O-N 2.96Å; S154-H156 WeakPolarHBondContact CB-NE2 3.47Å; S154-H156 PolarHBondContact OG-NE2 3.28Å; H156-I158 PolarHBondContact O-N 3.09Å; H156-T183 HydrophobicContact CB-CG2 3.55Å
157K87.4Confident88.6Confident71 Ų7130.2 Ų30.231%0.30916%0.158SC..EExtended strand (participates in β ladder)trans-72.5124.2176.7-165.9175.2-180-176.10109.2F147F147-K157 HydrophobicContact CD1-CB 3.68Å; F147-K157 HydrophobicContact CD1-CG 4.16Å; F147-K157 VanDerWaalsContact CD1-N 3.34Å; F147-K157 HydrophobicContact CE1-CB 3.38Å; F147-K157 HydrophobicContact CE1-CD 4.19Å; F147-K157 HydrophobicContact CE1-CG 3.71Å; F147-K157 HydrophobicContact CE2-CG 4.14Å; F147-K157 HydrophobicContact CG-CB 4.45Å; F147-K157 HydrophobicContact CZ-CB 3.92Å; F147-K157 HydrophobicContact CZ-CD 3.89Å; F147-K157 HydrophobicContact CZ-CG 3.68Å
158I88.8Confident88.6Confident8 Ų830.8 Ų30.84%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-91.3-50.8172.5-55.8175.1000109.3V146 I148 H156 Y165 L168 W178 Q179 Y182 L218V146-I158 PolarHBondContact O-N 3.22Å; I148-I158 HydrophobicContact CB-CD1 4.05Å; I148-I158 HydrophobicContact CB-CG1 4.38Å; I148-I158 HydrophobicContact CG2-CD1 4.4Å; I148-I158 HydrophobicContact CG2-CG1 4.23Å; H156-I158 PolarHBondContact O-N 3.09Å; I158-Y165 HydrophobicContact CD1-CD2 4.44Å; I158-Y165 HydrophobicContact CD1-CE2 4.1Å; I158-L168 HydrophobicContact CG2-CD1 3.79Å; I158-W178 HydrophobicContact CG2-CZ3 4.35Å; I158-Q179 HydrophobicContact CD1-CB 3.83Å; I158-Q179 HydrophobicContact CD1-CG 3.96Å; I158-Y182 HydrophobicContact CG2-CD2 4.14Å; I158-Y182 HydrophobicContact CG2-CG 4.2Å; I158-L218 WeakPolarHBondContact O-CD2 3.42Å
159C90Very high88.6Confident1 Ų130.8 Ų30.81%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-159.8173.1-176.164.70000113.3V146 T161 Q164 Y165 L168 L218V146-C159 PolarHBondContact N-O 2.9Å; V146-C159 PolarHBondContact O-N 2.94Å; C159-T161 PolarHBondContact SG-O 2.98Å; C159-T161 VanDerWaalsContact SG-O 3.41Å; C159-Q164 HydrophobicContact CB-CB 3.89Å; C159-Y165 VanDerWaalsContact SG-CA 3.56Å; C159-Y165 VanDerWaalsContact SG-CB 3.57Å; C159-Y165 PolarHBondContact SG-N 3.4Å; C159-L168 HydrophobicContact CB-CD1 4.14Å; C159-L218 VanDerWaalsContact CA-CD2 3.5Å; C159-L218 HydrophobicContact CB-CD2 3.34Å
160C87.6Confident88.7Confident37 Ų3730.1 Ų30.125%0.2516%0.157CC..SBendtrans-90.8-23.6-171.8-63.30000113.6G145G145-C160 VanDerWaalsContact CA-O 3.31Å; G145-C160 WeakPolarHBondContact CA-O 3.43Å
161T90.8Very high88.8Confident47 Ų4729.9 Ų29.929%0.28816%0.157SC..SBendtrans-137157.8-175.689.70000112.5D49 C159 Q163 Q164 Y165D49-T161 VanDerWaalsContact OD2-CB 3.3Å; D49-T161 WeakPolarHBondContact OD2-CB 3.37Å; D49-T161 PolarHBondContact OD2-OG1 2.81Å; C159-T161 PolarHBondContact SG-O 2.98Å; C159-T161 VanDerWaalsContact SG-O 3.41Å; T161-Q163 VanDerWaalsContact C-N 3.29Å; T161-Q163 PolarHBondContact O-N 3.02Å; T161-Q163 PolarHBondContact OG1-N 3.43Å; T161-Q164 PolarHBondContact O-N 3.23Å; T161-Q164 PolarHBondContact OG1-N 3.47Å; T161-Q164 VanDerWaalsContact OG1-N 3.13Å; T161-Y165 PolarHBondContact O-N 2.81Å; T161-Y165 VanDerWaalsContact O-N 3.07Å
162F93.2Very high89.1Confident0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-61.6-40.7175.9172.6-102.9000111.2F2 D49 L50 F53 I80 L126 F137 Q164 Y165 I166F2-F162 HydrophobicContact CE1-CD1 4.4Å; F2-F162 AromaticContact CE1-CE1 3.91Å; F2-F162 HydrophobicContact CE1-CE1 3.91Å; F2-F162 HydrophobicContact CZ-CD1 4.22Å; F2-F162 AromaticContact CZ-CE1 3.97Å; F2-F162 HydrophobicContact CZ-CE1 3.97Å; D49-F162 PolarHBondContact OD2-N 3.09Å; D49-F162 VanDerWaalsContact OD2-N 3.09Å; L50-F162 HydrophobicContact CB-CB 4.2Å; L50-F162 HydrophobicContact CB-CD1 4.41Å; L50-F162 HydrophobicContact CB-CG 4.26Å; L50-F162 HydrophobicContact CD1-CD1 4.16Å; L50-F162 HydrophobicContact CD1-CD2 3.8Å; L50-F162 HydrophobicContact CD1-CE1 4.3Å; L50-F162 HydrophobicContact CD1-CE2 3.93Å; L50-F162 HydrophobicContact CD1-CG 3.9Å; L50-F162 HydrophobicContact CD1-CZ 4.17Å; F53-F162 HydrophobicContact CB-CD1 4.27Å; F53-F162 HydrophobicContact CB-CE1 3.49Å; F53-F162 VanDerWaalsContact CB-CE1 3.49Å; F53-F162 HydrophobicContact CB-CZ 4.08Å; F53-F162 HydrophobicContact CD1-CE1 4.24Å; F53-F162 AromaticContact CD1-CZ 3.94Å; F53-F162 HydrophobicContact CD1-CZ 3.94Å; F53-F162 AromaticContact CD2-CE1 3.79Å; F53-F162 HydrophobicContact CD2-CE1 3.79Å; F53-F162 AromaticContact CD2-CZ 3.76Å; F53-F162 HydrophobicContact CD2-CZ 3.76Å; F53-F162 HydrophobicContact CE1-CZ 4.34Å; F53-F162 HydrophobicContact CE2-CZ 4.17Å; F53-F162 AromaticContact CG-CE1 3.57Å; F53-F162 HydrophobicContact CG-CE1 3.57Å; F53-F162 AromaticContact CG-CZ 3.64Å; F53-F162 HydrophobicContact CG-CZ 3.64Å; F53-F162 HydrophobicContact CZ-CZ 4.45Å; I80-F162 HydrophobicContact CD1-CE2 4.07Å; I80-F162 HydrophobicContact CG1-CE2 4.22Å; I80-F162 HydrophobicContact CG1-CZ 4.3Å; I80-F162 HydrophobicContact CG2-CE2 4.08Å; I80-F162 HydrophobicContact CG2-CZ 4.31Å; L126-F162 HydrophobicContact CD1-CD2 4.02Å; L126-F162 HydrophobicContact CD1-CE2 3.91Å; L126-F162 HydrophobicContact CD2-CD2 3.88Å; L126-F162 HydrophobicContact CD2-CE2 4.06Å; L126-F162 HydrophobicContact CG-CE2 4.43Å; F137-F162 HydrophobicContact CE2-CB 4.11Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 3.03Å; F162-Y165 WeakPolarHBondContact O-CB 3.41Å; F162-Y165 PolarHBondContact O-N 3.39Å; F162-Y165 VanDerWaalsContact O-N 3.15Å; F162-I166 HydrophobicContact CD1-CG1 4.22Å; F162-I166 HydrophobicContact CD2-CG1 4.4Å; F162-I166 HydrophobicContact CE1-CD1 4.25Å; F162-I166 HydrophobicContact CE1-CG1 3.68Å; F162-I166 HydrophobicContact CE2-CD1 3.81Å; F162-I166 HydrophobicContact CE2-CG1 3.91Å; F162-I166 HydrophobicContact CZ-CD1 3.59Å; F162-I166 HydrophobicContact CZ-CG1 3.54Å; F162-I166 WeakPolarHBondContact O-CG1 3.32Å; F162-I166 PolarHBondContact O-N 3.04Å
163Q91.6Very high89.7Confident46 Ų4619.8 Ų19.822%0.21510%0.103CC..Hα-helixtrans-61-40.2176.4-173.6175.11100112.5D49 T161 Y165 I166 R167 L226D49-Q163 HydrophobicContact CB-CB 4.15Å; D49-Q163 WeakPolarHBondContact OD2-CB 3.34Å; D49-Q163 PolarHBondContact OD2-N 3.22Å; T161-Q163 VanDerWaalsContact C-N 3.29Å; T161-Q163 PolarHBondContact O-N 3.02Å; T161-Q163 PolarHBondContact OG1-N 3.43Å; Q163-Y165 VanDerWaalsContact C-N 3.35Å; Q163-I166 PolarHBondContact O-N 3.42Å; Q163-R167 WeakPolarHBondContact O-CG 3.37Å; Q163-R167 PolarHBondContact O-N 3.41Å; Q163-L226 HydrophobicContact CG-CD1 3.82Å; Q163-L226 HydrophobicContact CG-CD2 4.25Å; Q163-L226 HydrophobicContact CG-CG 3.93Å
164Q90.6Very high90.3Very high26 Ų2616.6 Ų16.612%0.1219%0.086CC..Hα-helixtrans-62.4-44.8174.2-71.1-179.6-4.800110.7C159 T161 F162 I166 R167 L168 L218C159-Q164 HydrophobicContact CB-CB 3.89Å; T161-Q164 PolarHBondContact O-N 3.23Å; T161-Q164 PolarHBondContact OG1-N 3.47Å; T161-Q164 VanDerWaalsContact OG1-N 3.13Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 3.03Å; Q164-I166 PolarHBondContact O-N 3.03Å; Q164-R167 WeakPolarHBondContact O-CB 3.45Å; Q164-R167 PolarHBondContact O-N 2.78Å; Q164-R167 VanDerWaalsContact O-N 3.12Å; Q164-L168 WeakPolarHBondContact O-CG 3.29Å; Q164-L168 PolarHBondContact O-N 2.93Å; Q164-L218 PolarHBondContact NE2-O 3.1Å
165Y93.8Very high90.8Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-56.2-48.3176.7179.7-102000112.1I80 L126 E127 V135 V146 I158 C159 T161 F162 Q163 R167 L168 A169 W178 Q179I80-Y165 HydrophobicContact CD1-CD1 4.43Å; I80-Y165 HydrophobicContact CD1-CE1 3.95Å; L126-Y165 HydrophobicContact CD2-CD1 3.91Å; L126-Y165 HydrophobicContact CD2-CE1 4.02Å; E127-Y165 PolarHBondContact OE2-OH 2.9Å; V135-Y165 HydrophobicContact CG1-CD2 4.41Å; V135-Y165 HydrophobicContact CG1-CE2 3.74Å; V135-Y165 HydrophobicContact CG2-CE2 4.33Å; V146-Y165 HydrophobicContact CB-CD2 4.36Å; V146-Y165 HydrophobicContact CG1-CD2 3.56Å; V146-Y165 HydrophobicContact CG1-CE2 4.07Å; V146-Y165 HydrophobicContact CG1-CG 3.9Å; V146-Y165 HydrophobicContact CG2-CG 4.47Å; I158-Y165 HydrophobicContact CD1-CD2 4.44Å; I158-Y165 HydrophobicContact CD1-CE2 4.1Å; C159-Y165 VanDerWaalsContact SG-CA 3.56Å; C159-Y165 VanDerWaalsContact SG-CB 3.57Å; C159-Y165 PolarHBondContact SG-N 3.4Å; T161-Y165 PolarHBondContact O-N 2.81Å; T161-Y165 VanDerWaalsContact O-N 3.07Å; F162-Y165 WeakPolarHBondContact O-CB 3.41Å; F162-Y165 PolarHBondContact O-N 3.39Å; F162-Y165 VanDerWaalsContact O-N 3.15Å; Q163-Y165 VanDerWaalsContact C-N 3.35Å; Y165-R167 VanDerWaalsContact C-N 3.32Å; Y165-R167 PolarHBondContact O-N 3.46Å; Y165-L168 WeakPolarHBondContact O-CB 3.29Å; Y165-L168 PolarHBondContact O-N 3.42Å; Y165-L168 VanDerWaalsContact O-N 3.16Å; Y165-A169 PolarHBondContact O-N 3.07Å; Y165-W178 AromaticContact CD2-CH2 3.82Å; Y165-W178 HydrophobicContact CD2-CH2 3.82Å; Y165-W178 HydrophobicContact CD2-CZ2 4.21Å; Y165-W178 AromaticContact CE2-CH2 3.58Å; Y165-W178 HydrophobicContact CE2-CH2 3.58Å; Y165-W178 AromaticContact CE2-CZ2 3.59Å; Y165-W178 HydrophobicContact CE2-CZ2 3.59Å; Y165-W178 AromaticContact CZ-CZ2 3.79Å; Y165-Q179 HydrophobicContact CE2-CG 4.39Å
166I93.4Very high91Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-61.3-40.3177-63.3-59.1000111.6F2 F6 I80 F162 Q163 Q164 L168 A169 V170 L226F2-I166 HydrophobicContact CD1-CG1 4.5Å; F2-I166 HydrophobicContact CD1-CG2 4.18Å; F2-I166 HydrophobicContact CE1-CB 4.39Å; F2-I166 HydrophobicContact CE1-CG1 4.18Å; F2-I166 HydrophobicContact CE1-CG2 4.32Å; F6-I166 HydrophobicContact CE2-CG2 4.09Å; F6-I166 HydrophobicContact CZ-CD1 4.14Å; F6-I166 HydrophobicContact CZ-CG2 4.15Å; I80-I166 HydrophobicContact CD1-CD1 3.89Å; I80-I166 HydrophobicContact CG1-CD1 3.96Å; F162-I166 HydrophobicContact CD1-CG1 4.22Å; F162-I166 HydrophobicContact CD2-CG1 4.4Å; F162-I166 HydrophobicContact CE1-CD1 4.25Å; F162-I166 HydrophobicContact CE1-CG1 3.68Å; F162-I166 HydrophobicContact CE2-CD1 3.81Å; F162-I166 HydrophobicContact CE2-CG1 3.91Å; F162-I166 HydrophobicContact CZ-CD1 3.59Å; F162-I166 HydrophobicContact CZ-CG1 3.54Å; F162-I166 WeakPolarHBondContact O-CG1 3.32Å; F162-I166 PolarHBondContact O-N 3.04Å; Q163-I166 PolarHBondContact O-N 3.42Å; Q164-I166 PolarHBondContact O-N 3.03Å; I166-L168 VanDerWaalsContact C-N 3.34Å; I166-L168 PolarHBondContact O-N 3.16Å; I166-A169 PolarHBondContact O-N 3.33Å; I166-V170 HydrophobicContact CG2-CG2 4.23Å; I166-V170 WeakPolarHBondContact O-CB 3.26Å; I166-V170 WeakPolarHBondContact O-CG2 3.38Å; I166-V170 PolarHBondContact O-N 3.08Å; I166-L226 HydrophobicContact CB-CD2 4.49Å; I166-L226 HydrophobicContact CG2-CD2 3.93Å
167R90.3Very high91.2Very high19 Ų1916.3 Ų16.37%0.0728%0.083CC..Hα-helixtrans-61.9-43.7175.6-70.3176.1-173.3152.78.5111.5Q163 Q164 Y165 V170 V171 P223 V224 S225 L226 L231Q163-R167 WeakPolarHBondContact O-CG 3.37Å; Q163-R167 PolarHBondContact O-N 3.41Å; Q164-R167 WeakPolarHBondContact O-CB 3.45Å; Q164-R167 PolarHBondContact O-N 2.78Å; Q164-R167 VanDerWaalsContact O-N 3.12Å; Y165-R167 VanDerWaalsContact C-N 3.32Å; Y165-R167 PolarHBondContact O-N 3.46Å; R167-V170 PolarHBondContact O-N 3.3Å; R167-V171 WeakPolarHBondContact O-CG1 3.39Å; R167-V171 WeakPolarHBondContact O-CG2 3.42Å; R167-V171 PolarHBondContact O-N 3.24Å; R167-P223 PolarHBondContact NE-O 3.3Å; R167-P223 PolarHBondContact NH1-O 2.89Å; R167-P223 PolarHBondContact NH2-O 3.41Å; R167-V224 PolarHBondContact NH2-O 2.96Å; R167-S225 PolarHBondContact NE-O 3.2Å; R167-L226 HydrophobicContact CG-CD2 4.44Å; R167-L231 HydrophobicContact CB-CD1 4.22Å; R167-L231 HydrophobicContact CB-CD2 4.37Å; R167-L231 HydrophobicContact CG-CD1 3.93Å; R167-L231 HydrophobicContact CG-CD2 4.17Å
168L90.6Very high91.4Very high16 Ų1613.1 Ų13.18%0.0847%0.069CC..Hα-helixtrans-61.3-46.1176.6-67179000111.1I158 C159 Q164 Y165 I166 V170 V171 H172 W178 Y182 F214I158-L168 HydrophobicContact CG2-CD1 3.79Å; C159-L168 HydrophobicContact CB-CD1 4.14Å; Q164-L168 WeakPolarHBondContact O-CG 3.29Å; Q164-L168 PolarHBondContact O-N 2.93Å; Y165-L168 WeakPolarHBondContact O-CB 3.29Å; Y165-L168 PolarHBondContact O-N 3.42Å; Y165-L168 VanDerWaalsContact O-N 3.16Å; I166-L168 VanDerWaalsContact C-N 3.34Å; I166-L168 PolarHBondContact O-N 3.16Å; L168-V170 VanDerWaalsContact C-N 3.3Å; L168-V170 PolarHBondContact O-N 2.97Å; L168-V171 VanDerWaalsContact O-CG2 3.23Å; L168-V171 WeakPolarHBondContact O-CG2 3.18Å; L168-V171 PolarHBondContact O-N 2.9Å; L168-H172 PolarHBondContact O-N 3.07Å; L168-H172 PolarHBondContact O-ND1 3.47Å; L168-W178 HydrophobicContact CB-CE3 4.38Å; L168-W178 HydrophobicContact CB-CH2 3.53Å; L168-W178 HydrophobicContact CB-CZ3 3.41Å; L168-W178 VanDerWaalsContact CB-CZ3 3.41Å; L168-W178 HydrophobicContact CD1-CZ3 4.24Å; L168-W178 HydrophobicContact CG-CZ3 4.44Å; L168-Y182 HydrophobicContact CD1-CE2 4.27Å; L168-Y182 HydrophobicContact CD2-CE2 4.4Å; L168-Y182 WeakPolarHBondContact CD2-OH 3.35Å; L168-F214 HydrophobicContact CD2-CE1 4.15Å; L168-F214 HydrophobicContact CD2-CZ 3.9Å
169A92.9Very high91.6Very high0 Ų013 Ų130%07%0.068CC..Hα-helixtrans-58.7-42.8175.400000111.7I78 Y165 I166 H172 L173 G174 W178I78-A169 HydrophobicContact CD1-CB 3.79Å; I78-A169 HydrophobicContact CG1-CB 4.15Å; I78-A169 HydrophobicContact CG2-CB 4.18Å; Y165-A169 PolarHBondContact O-N 3.07Å; I166-A169 PolarHBondContact O-N 3.33Å; A169-H172 CarbonylContact O-C 3.47Å; A169-H172 PolarHBondContact O-N 3.49Å; A169-L173 PolarHBondContact O-N 3.27Å; A169-G174 PolarHBondContact O-N 3.4Å; A169-W178 HydrophobicContact CB-CH2 4.34Å; A169-W178 HydrophobicContact CB-CZ2 3.59Å
170V92.1Very high91.4Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-65.7-44.9178.5170.30000112T5 L9 I166 R167 L168 H172 L173 L231T5-V170 HydrophobicContact CG2-CG2 3.86Å; L9-V170 HydrophobicContact CD1-CG1 4.32Å; L9-V170 HydrophobicContact CD2-CB 4.31Å; L9-V170 HydrophobicContact CD2-CG1 4.32Å; L9-V170 HydrophobicContact CD2-CG2 3.98Å; I166-V170 HydrophobicContact CG2-CG2 4.23Å; I166-V170 WeakPolarHBondContact O-CB 3.26Å; I166-V170 WeakPolarHBondContact O-CG2 3.38Å; I166-V170 PolarHBondContact O-N 3.08Å; R167-V170 PolarHBondContact O-N 3.3Å; L168-V170 VanDerWaalsContact C-N 3.3Å; L168-V170 PolarHBondContact O-N 2.97Å; V170-H172 VanDerWaalsContact C-N 3.27Å; V170-H172 PolarHBondContact O-N 3.41Å; V170-L173 PolarHBondContact O-N 2.87Å; V170-L231 HydrophobicContact CB-CD1 4.45Å; V170-L231 HydrophobicContact CG1-CD1 4.1Å
171V89.7Confident91.4Very high11 Ų1112 Ų127%0.0676%0.06CC..Hα-helixtrans-70.4-25.1179.7-61.50000112.8R167 L168 L173 L231R167-V171 WeakPolarHBondContact O-CG1 3.39Å; R167-V171 WeakPolarHBondContact O-CG2 3.42Å; R167-V171 PolarHBondContact O-N 3.24Å; L168-V171 VanDerWaalsContact O-CG2 3.23Å; L168-V171 WeakPolarHBondContact O-CG2 3.18Å; L168-V171 PolarHBondContact O-N 2.9Å; V171-L173 VanDerWaalsContact C-N 3.32Å; V171-L231 HydrophobicContact CG1-CB 3.92Å
172H91.2Very high91.1Very high2 Ų210.8 Ų10.81%0.0095%0.05CC..THydrogen-bonded Turntrans-88.83.9170.1-65.789.3000112.8L168 A169 V170 G174 L175 W178 Y182L168-H172 PolarHBondContact O-N 3.07Å; L168-H172 PolarHBondContact O-ND1 3.47Å; A169-H172 CarbonylContact O-C 3.47Å; A169-H172 PolarHBondContact O-N 3.49Å; V170-H172 VanDerWaalsContact C-N 3.27Å; V170-H172 PolarHBondContact O-N 3.41Å; H172-G174 PolarHBondContact O-N 2.72Å; H172-L175 VanDerWaalsContact O-CB 3.28Å; H172-L175 WeakPolarHBondContact O-CB 3.36Å; H172-L175 WeakPolarHBondContact O-CG 3.25Å; H172-L175 PolarHBondContact O-N 3.06Å; H172-W178 HydrophobicContact CB-CB 3.71Å; H172-W178 HydrophobicContact CB-CD2 4.13Å; H172-W178 HydrophobicContact CB-CE3 4.46Å; H172-W178 HydrophobicContact CB-CG 3.82Å; H172-W178 AromaticContact ND1-CE3 3.65Å; H172-Y182 AromaticContact CE1-CE2 3.69Å; H172-Y182 AromaticContact CE1-CZ 3.88Å; H172-Y182 PolarHBondContact CE1-OH 3.26Å; H172-Y182 VanDerWaalsContact CE1-OH 3.24Å
173L93Very high90.6Very high2 Ų211 Ų111%0.015%0.051CC..THydrogen-bonded Turntrans55.323.2-177.1-47.2172.1000113.7L9 I13 K16 W64 A169 V170 V171 L175 T199 L232L9-L173 HydrophobicContact CD1-CD2 3.59Å; I13-L173 HydrophobicContact CD1-CB 4.33Å; I13-L173 HydrophobicContact CG1-CB 4.37Å; I13-L173 HydrophobicContact CG1-CD2 4.31Å; K16-L173 HydrophobicContact CD-CD1 3.9Å; W64-L173 HydrophobicContact CZ2-CB 4.26Å; W64-L173 PolarHBondContact NE1-O 2.95Å; A169-L173 PolarHBondContact O-N 3.27Å; V170-L173 PolarHBondContact O-N 2.87Å; V171-L173 VanDerWaalsContact C-N 3.32Å; L173-L175 PolarHBondContact O-N 2.86Å; L173-T199 HydrophobicContact CD1-CG2 3.58Å; L173-T199 HydrophobicContact CG-CG2 3.75Å; L173-L232 HydrophobicContact CD2-CD1 4.17Å; L173-L232 HydrophobicContact CD2-CD2 4.1Å
174G92.9Very high89.9Confident1 Ų114.9 Ų14.91%0.017%0.074CC..THydrogen-bonded Turntrans66.719.7-173.300000114.6G76 L77 I78 A169 H172 Q176G76-G174 CarbonylContact C-O 3.55Å; G76-G174 WeakPolarHBondContact CA-O 3.23Å; L77-G174 PolarHBondContact N-O 3.15Å; I78-G174 VanDerWaalsContact CG1-CA 3.42Å; A169-G174 PolarHBondContact O-N 3.4Å; H172-G174 PolarHBondContact O-N 2.72Å; G174-Q176 PolarHBondContact O-N 2.94Å
175L93.7Very high89.4Confident2 Ų216.6 Ų16.61%0.018%0.084CC..BIsolated β-bridgetrans-50.2139.6-177.8-82179.1000113W64 A75 H172 L173 D177 W178 L194 C195 Y198 T199W64-L175 HydrophobicContact CH2-CD2 3.61Å; W64-L175 HydrophobicContact CZ2-CD2 3.52Å; W64-L175 HydrophobicContact CZ2-CG 4.26Å; A75-L175 WeakPolarHBondContact O-CA 3.4Å; A75-L175 WeakPolarHBondContact O-CD2 3.33Å; H172-L175 VanDerWaalsContact O-CB 3.28Å; H172-L175 WeakPolarHBondContact O-CB 3.36Å; H172-L175 WeakPolarHBondContact O-CG 3.25Å; H172-L175 PolarHBondContact O-N 3.06Å; L173-L175 PolarHBondContact O-N 2.86Å; L175-D177 PolarHBondContact O-N 3.25Å; L175-W178 WeakPolarHBondContact O-CB 3.38Å; L175-W178 PolarHBondContact O-N 3.26Å; L175-W178 VanDerWaalsContact O-N 3.15Å; L175-L194 HydrophobicContact CD2-CB 3.81Å; L175-C195 HydrophobicContact CD1-CB 4.35Å; L175-Y198 HydrophobicContact CD2-CD2 4.04Å; L175-T199 HydrophobicContact CD1-CG2 4.2Å; L175-T199 VanDerWaalsContact CD1-OG1 3.3Å; L175-T199 WeakPolarHBondContact CD1-OG1 3.32Å
176Q91.8Very high88.9Confident50 Ų5020.8 Ų20.823%0.23412%0.118CC..THydrogen-bonded Turntrans-53.3133-179.1-160.8-169.4-61.100112A75 L130 G174 W178 S191 L194A75-Q176 PolarHBondContact O-N 2.81Å; L130-Q176 HydrophobicContact CB-CG 4.23Å; L130-Q176 HydrophobicContact CD1-CG 4.13Å; G174-Q176 PolarHBondContact O-N 2.94Å; Q176-W178 PolarHBondContact O-N 3.31Å; Q176-S191 WeakPolarHBondContact O-CB 3.43Å; Q176-S191 PolarHBondContact O-OG 3.22Å; Q176-L194 HydrophobicContact CB-CD1 4.29Å
177D90.6Very high88.4Confident4 Ų421.3 Ų21.32%0.02112%0.122CC..THydrogen-bonded Turntrans64.417.4176.5-47.2-49.2000115.1N131 L175 Q179 I180N131-D177 VanDerWaalsContact CB-OD1 3.23Å; N131-D177 WeakPolarHBondContact CB-OD1 3.26Å; N131-D177 PolarHBondContact ND2-OD1 2.93Å; L175-D177 PolarHBondContact O-N 3.25Å; D177-Q179 PolarHBondContact O-N 3.48Å; D177-Q179 VanDerWaalsContact O-N 3.09Å; D177-I180 HydrophobicContact CB-CD1 3.98Å; D177-I180 HydrophobicContact CB-CG1 4.33Å; D177-I180 WeakPolarHBondContact O-CB 3.43Å; D177-I180 PolarHBondContact O-N 3.43Å
178W91.8Very high88.2Confident3 Ų323.5 Ų23.51%0.01113%0.134CC..G310 helixtrans-56.3-27.8178.473.5-94.6000113I158 Y165 L168 A169 H172 L175 Q176 I180 W181 Y182I158-W178 HydrophobicContact CG2-CZ3 4.35Å; Y165-W178 AromaticContact CD2-CH2 3.82Å; Y165-W178 HydrophobicContact CD2-CH2 3.82Å; Y165-W178 HydrophobicContact CD2-CZ2 4.21Å; Y165-W178 AromaticContact CE2-CH2 3.58Å; Y165-W178 HydrophobicContact CE2-CH2 3.58Å; Y165-W178 AromaticContact CE2-CZ2 3.59Å; Y165-W178 HydrophobicContact CE2-CZ2 3.59Å; Y165-W178 AromaticContact CZ-CZ2 3.79Å; L168-W178 HydrophobicContact CB-CE3 4.38Å; L168-W178 HydrophobicContact CB-CH2 3.53Å; L168-W178 HydrophobicContact CB-CZ3 3.41Å; L168-W178 VanDerWaalsContact CB-CZ3 3.41Å; L168-W178 HydrophobicContact CD1-CZ3 4.24Å; L168-W178 HydrophobicContact CG-CZ3 4.44Å; A169-W178 HydrophobicContact CB-CH2 4.34Å; A169-W178 HydrophobicContact CB-CZ2 3.59Å; H172-W178 HydrophobicContact CB-CB 3.71Å; H172-W178 HydrophobicContact CB-CD2 4.13Å; H172-W178 HydrophobicContact CB-CE3 4.46Å; H172-W178 HydrophobicContact CB-CG 3.82Å; H172-W178 AromaticContact ND1-CE3 3.65Å; L175-W178 WeakPolarHBondContact O-CB 3.38Å; L175-W178 PolarHBondContact O-N 3.26Å; L175-W178 VanDerWaalsContact O-N 3.15Å; Q176-W178 PolarHBondContact O-N 3.31Å; W178-I180 VanDerWaalsContact C-N 3.29Å; W178-I180 PolarHBondContact O-N 2.81Å; W178-W181 WeakPolarHBondContact O-CB 3.44Å; W178-W181 PolarHBondContact O-N 3.38Å; W178-Y182 HydrophobicContact CE3-CD2 4.19Å; W178-Y182 AromaticContact CE3-CE2 3.92Å; W178-Y182 HydrophobicContact CE3-CE2 3.92Å; W178-Y182 HydrophobicContact CZ3-CD2 4.05Å; W178-Y182 AromaticContact CZ3-CE2 3.85Å; W178-Y182 HydrophobicContact CZ3-CE2 3.85Å
179Q91.5Very high88.1Confident5 Ų526.9 Ų26.92%0.02316%0.157CC..G310 helixtrans-63.9-32.6179-58.188.6-15.200112.5C129 V135 I148 I158 Y165 D177 W181 Y182C129-Q179 PolarHBondContact SG-NE2 3.44Å; V135-Q179 HydrophobicContact CG2-CG 4.21Å; I148-Q179 HydrophobicContact CD1-CB 3.72Å; I158-Q179 HydrophobicContact CD1-CB 3.83Å; I158-Q179 HydrophobicContact CD1-CG 3.96Å; Y165-Q179 HydrophobicContact CE2-CG 4.39Å; D177-Q179 PolarHBondContact O-N 3.48Å; D177-Q179 VanDerWaalsContact O-N 3.09Å; Q179-W181 PolarHBondContact O-N 2.98Å; Q179-Y182 PolarHBondContact O-N 2.97Å; Q179-Y182 VanDerWaalsContact O-N 3.12Å
180I87.1Confident87.9Confident12 Ų1229.4 Ų29.46%0.06218%0.175CC..G310 helixtrans-63.6-27.2-179.7-60.4-175.1000111D177 W178 Y182 T183 D185 I188D177-I180 HydrophobicContact CB-CD1 3.98Å; D177-I180 HydrophobicContact CB-CG1 4.33Å; D177-I180 WeakPolarHBondContact O-CB 3.43Å; D177-I180 PolarHBondContact O-N 3.43Å; W178-I180 VanDerWaalsContact C-N 3.29Å; W178-I180 PolarHBondContact O-N 2.81Å; I180-Y182 PolarHBondContact O-N 2.92Å; I180-T183 WeakPolarHBondContact O-CB 3.43Å; I180-T183 PolarHBondContact O-N 2.8Å; I180-T183 PolarHBondContact O-OG1 3.16Å; I180-D185 HydrophobicContact CG2-CB 3.91Å; I180-I188 HydrophobicContact CD1-CD1 4.04Å; I180-I188 HydrophobicContact CD1-CG1 4.34Å
181W85.8Confident87.8Confident6 Ų629.5 Ų29.52%0.02318%0.176CC..G310 helixtrans-67.3-1.8177.4-62.467.3000113.8W178 Q179 P187 S191 Q192 C195 L203 L205 N206 H211W178-W181 WeakPolarHBondContact O-CB 3.44Å; W178-W181 PolarHBondContact O-N 3.38Å; Q179-W181 PolarHBondContact O-N 2.98Å; W181-P187 HydrophobicContact CD2-CB 4.1Å; W181-P187 HydrophobicContact CD2-CG 4.4Å; W181-P187 HydrophobicContact CG-CB 4.4Å; W181-P187 HydrophobicContact CZ2-CB 4.05Å; W181-P187 HydrophobicContact CZ2-CG 4.4Å; W181-S191 PolarHBondContact NE1-OG 3.4Å; W181-Q192 HydrophobicContact CH2-CB 4.49Å; W181-Q192 HydrophobicContact CH2-CG 4.05Å; W181-Q192 HydrophobicContact CZ2-CB 4.37Å; W181-Q192 HydrophobicContact CZ2-CG 3.96Å; W181-C195 HydrophobicContact CH2-CB 3.77Å; W181-C195 HydrophobicContact CZ2-CB 3.58Å; W181-L203 HydrophobicContact CH2-CD2 3.81Å; W181-L203 HydrophobicContact CZ3-CD2 4.29Å; W181-L205 HydrophobicContact CE3-CB 4.24Å; W181-N206 HydrophobicContact CE3-CB 4.24Å; W181-N206 HydrophobicContact CZ3-CB 3.81Å; W181-H211 PolarHBondContact O-CE1 3.17Å; W181-H211 PolarHBondContact O-NE2 2.93Å
182Y86Confident87.8Confident21 Ų2131.9 Ų31.98%0.08219%0.186CC..G310 helixtrans-110.83.5172.9-68.3-71.9000112.9I158 L168 H172 W178 Q179 I180 L205 F214I158-Y182 HydrophobicContact CG2-CD2 4.14Å; I158-Y182 HydrophobicContact CG2-CG 4.2Å; L168-Y182 HydrophobicContact CD1-CE2 4.27Å; L168-Y182 HydrophobicContact CD2-CE2 4.4Å; L168-Y182 WeakPolarHBondContact CD2-OH 3.35Å; H172-Y182 AromaticContact CE1-CE2 3.69Å; H172-Y182 AromaticContact CE1-CZ 3.88Å; H172-Y182 PolarHBondContact CE1-OH 3.26Å; H172-Y182 VanDerWaalsContact CE1-OH 3.24Å; W178-Y182 HydrophobicContact CE3-CD2 4.19Å; W178-Y182 AromaticContact CE3-CE2 3.92Å; W178-Y182 HydrophobicContact CE3-CE2 3.92Å; W178-Y182 HydrophobicContact CZ3-CD2 4.05Å; W178-Y182 AromaticContact CZ3-CE2 3.85Å; W178-Y182 HydrophobicContact CZ3-CE2 3.85Å; Q179-Y182 PolarHBondContact O-N 2.97Å; Q179-Y182 VanDerWaalsContact O-N 3.12Å; I180-Y182 PolarHBondContact O-N 2.92Å; Y182-L205 HydrophobicContact CE1-CD1 4.28Å; Y182-L205 WeakPolarHBondContact OH-CD1 3.32Å; Y182-F214 AromaticContact CD1-CD1 3.89Å; Y182-F214 HydrophobicContact CD1-CD1 3.89Å; Y182-F214 AromaticContact CD1-CE1 3.92Å; Y182-F214 HydrophobicContact CD1-CE1 3.92Å; Y182-F214 AromaticContact CE1-CD1 3.37Å; Y182-F214 HydrophobicContact CE1-CD1 3.37Å; Y182-F214 AromaticContact CE1-CE1 3.11Å; Y182-F214 HydrophobicContact CE1-CE1 3.11Å; Y182-F214 HydrophobicContact CE1-CG 4.29Å; Y182-F214 AromaticContact CE1-CZ 3.89Å; Y182-F214 HydrophobicContact CE1-CZ 3.89Å; Y182-F214 AromaticContact CZ-CE1 3.78Å
183T82.1Confident87.8Confident4 Ų438 Ų383%0.02522%0.215CC..SBendtrans-105.6170.2178.272.20000110.5I148 H156 I180 D185 H211I148-T183 HydrophobicContact CG2-CG2 3.56Å; H156-T183 HydrophobicContact CB-CG2 3.55Å; I180-T183 WeakPolarHBondContact O-CB 3.43Å; I180-T183 PolarHBondContact O-N 2.8Å; I180-T183 PolarHBondContact O-OG1 3.16Å; T183-D185 PolarHBondContact O-N 3.24Å; T183-D185 WeakPolarHBondContact OG1-CB 3.31Å; T183-D185 PolarHBondContact OG1-N 3.15Å; T183-H211 PolarHBondContact O-CE1 3.4Å
184D77.7Confident87.7Confident128 Ų12838.9 Ų38.968%0.68422%0.219SC*.SBendtrans-74.8-6.5172.8-68.2-50.2000112.7
185D80.1Confident87.6Confident63 Ų6339 Ų3934%0.33722%0.22SC..SBendtrans-73.5144.3179.6-61.2-41.7000111.7N150 I180 T183N150-D185 PolarHBondContact ND2-OD2 2.88Å; I180-D185 HydrophobicContact CG2-CB 3.91Å; T183-D185 PolarHBondContact O-N 3.24Å; T183-D185 WeakPolarHBondContact OG1-CB 3.31Å; T183-D185 PolarHBondContact OG1-N 3.15Å
186A82.3Confident87.4Confident87 Ų8741.7 Ų41.772%0.71924%0.239SC*.PPolyproline II helixtrans-68.6129.9173.900000110.1I188A186-I188 PolarHBondContact O-N 2.9Å
187P82.9Confident87.4Confident12 Ų1245.1 Ų45.18%0.07826%0.258CS..PPolyproline II helixtrans-65.2141.5179.124.4-31.6000110.7W181 Q192 N206W181-P187 HydrophobicContact CD2-CB 4.1Å; W181-P187 HydrophobicContact CD2-CG 4.4Å; W181-P187 HydrophobicContact CG-CB 4.4Å; W181-P187 HydrophobicContact CZ2-CB 4.05Å; W181-P187 HydrophobicContact CZ2-CG 4.4Å; P187-Q192 HydrophobicContact CB-CG 4.03Å; P187-Q192 HydrophobicContact CG-CG 3.88Å; P187-N206 WeakPolarHBondContact CD-OD1 3.19Å; P187-N206 VanDerWaalsContact CG-OD1 3.27Å; P187-N206 WeakPolarHBondContact CG-OD1 3.31Å
188I86.5Confident87.4Confident65 Ų6545.6 Ų45.633%0.33326%0.26SS..PPolyproline II helixtrans-63.8139.1-177.6-55.7172.6000109.1I180 A186 S190 S191 Q192I180-I188 HydrophobicContact CD1-CD1 4.04Å; I180-I188 HydrophobicContact CD1-CG1 4.34Å; A186-I188 PolarHBondContact O-N 2.9Å; I188-S190 WeakPolarHBondContact CG2-OG 3.37Å; I188-S190 PolarHBondContact O-N 3.4Å; I188-S190 VanDerWaalsContact O-N 3.11Å; I188-S191 WeakPolarHBondContact O-CA 3.33Å; I188-S191 WeakPolarHBondContact O-CB 3.45Å; I188-S191 PolarHBondContact O-N 2.98Å; I188-Q192 PolarHBondContact O-N 3.03Å
189P89.1Confident87.3Confident87 Ų8745.5 Ų45.557%0.56526%0.259SS*.Hα-helixtrans-53.5-35.9-177.5-30.235.8000114.8Q192 Q193P189-Q192 PolarHBondContact O-N 3.09Å; P189-Q193 WeakPolarHBondContact O-CG 3.28Å; P189-Q193 PolarHBondContact O-N 2.88Å
190S88Confident87.1Confident53 Ų5348.5 Ų48.537%0.37128%0.279SS..Hα-helixtrans-64.4-41.6175.149.30000112.4I188 Q193 L194I188-S190 WeakPolarHBondContact CG2-OG 3.37Å; I188-S190 PolarHBondContact O-N 3.4Å; I188-S190 VanDerWaalsContact O-N 3.11Å; S190-Q193 PolarHBondContact O-N 3.31Å; S190-L194 WeakPolarHBondContact O-CG 3.34Å; S190-L194 PolarHBondContact O-N 3.45Å
191S89.1Confident87Confident2 Ų250.2 Ų50.21%0.01429%0.287CS..Hα-helixtrans-64.7-42.5175.3-172.90000111.1Q176 W181 I188 Q193 L194 C195Q176-S191 WeakPolarHBondContact O-CB 3.43Å; Q176-S191 PolarHBondContact O-OG 3.22Å; W181-S191 PolarHBondContact NE1-OG 3.4Å; I188-S191 WeakPolarHBondContact O-CA 3.33Å; I188-S191 WeakPolarHBondContact O-CB 3.45Å; I188-S191 PolarHBondContact O-N 2.98Å; S191-Q193 VanDerWaalsContact C-N 3.34Å; S191-Q193 PolarHBondContact O-N 2.81Å; S191-L194 PolarHBondContact O-N 2.91Å; S191-C195 VanDerWaalsContact O-CB 3.29Å; S191-C195 WeakPolarHBondContact O-CB 3.42Å; S191-C195 PolarHBondContact O-N 3.06Å
192Q90.3Very high86.9Confident61 Ų6151.9 Ų51.929%0.28529%0.293SS..Hα-helixtrans-59-42174-70.3-177.4-2600113W181 P187 I188 P189 S196 N206W181-Q192 HydrophobicContact CH2-CB 4.49Å; W181-Q192 HydrophobicContact CH2-CG 4.05Å; W181-Q192 HydrophobicContact CZ2-CB 4.37Å; W181-Q192 HydrophobicContact CZ2-CG 3.96Å; P187-Q192 HydrophobicContact CB-CG 4.03Å; P187-Q192 HydrophobicContact CG-CG 3.88Å; I188-Q192 PolarHBondContact O-N 3.03Å; P189-Q192 PolarHBondContact O-N 3.09Å; Q192-S196 WeakPolarHBondContact O-CB 3.3Å; Q192-S196 PolarHBondContact O-N 3.32Å; Q192-S196 PolarHBondContact O-OG 2.89Å; Q192-N206 PolarHBondContact NE2-ND2 3.49Å
193Q90.7Very high86.8Confident131 Ų13153.9 Ų53.961%0.61231%0.305SS*.Hα-helixtrans-64.4-46.5176.8-74174.2-6.100111.6P189 S190 S191 S196 L197P189-Q193 WeakPolarHBondContact O-CG 3.28Å; P189-Q193 PolarHBondContact O-N 2.88Å; S190-Q193 PolarHBondContact O-N 3.31Å; S191-Q193 VanDerWaalsContact C-N 3.34Å; S191-Q193 PolarHBondContact O-N 2.81Å; Q193-S196 WeakPolarHBondContact O-CB 3.12Å; Q193-S196 PolarHBondContact O-N 3.1Å; Q193-L197 WeakPolarHBondContact O-CG 3.45Å; Q193-L197 PolarHBondContact O-N 2.83Å; Q193-L197 VanDerWaalsContact O-N 3.12Å
194L91.2Very high86.7Confident20 Ų2059 Ų5911%0.10533%0.327CS..Hα-helixtrans-63.3-43.8177.8-71.2171.9000112A75 L175 Q176 S190 S191 S196 L197 Y198A75-L194 HydrophobicContact CB-CD2 4.11Å; L175-L194 HydrophobicContact CD2-CB 3.81Å; Q176-L194 HydrophobicContact CB-CD1 4.29Å; S190-L194 WeakPolarHBondContact O-CG 3.34Å; S190-L194 PolarHBondContact O-N 3.45Å; S191-L194 PolarHBondContact O-N 2.91Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 3.25Å; L194-L197 PolarHBondContact O-N 3.27Å; L194-L197 VanDerWaalsContact O-N 3.1Å; L194-Y198 HydrophobicContact CD2-CD2 4.26Å; L194-Y198 HydrophobicContact CD2-CE2 3.95Å; L194-Y198 WeakPolarHBondContact O-CD2 3.49Å; L194-Y198 PolarHBondContact O-N 3.39Å
195C90.8Very high86.6Confident3 Ų353 Ų532%0.0230%0.295CS..Hα-helixtrans-57.3-45174.4-173.30000110.7L175 W181 S191 L197 Y198 T199 P200 L203L175-C195 HydrophobicContact CD1-CB 4.35Å; W181-C195 HydrophobicContact CH2-CB 3.77Å; W181-C195 HydrophobicContact CZ2-CB 3.58Å; S191-C195 VanDerWaalsContact O-CB 3.29Å; S191-C195 WeakPolarHBondContact O-CB 3.42Å; S191-C195 PolarHBondContact O-N 3.06Å; C195-L197 PolarHBondContact O-N 3.12Å; C195-Y198 PolarHBondContact O-N 3.09Å; C195-T199 CarbonylContact O-C 2.95Å; C195-T199 WeakPolarHBondContact O-CA 3.42Å; C195-T199 PolarHBondContact O-N 2.9Å; C195-T199 PolarHBondContact SG-O 2.94Å; C195-P200 VanDerWaalsContact O-N 3.08Å; C195-L203 HydrophobicContact CB-CD2 4.06Å
196S90.7Very high85.8Confident59 Ų5953.5 Ų53.541%0.41330%0.298SS..Hα-helixtrans-61.6-30177-56.70000113.8Q192 Q193 L194 L203Q192-S196 WeakPolarHBondContact O-CB 3.3Å; Q192-S196 PolarHBondContact O-N 3.32Å; Q192-S196 PolarHBondContact O-OG 2.89Å; Q193-S196 WeakPolarHBondContact O-CB 3.12Å; Q193-S196 PolarHBondContact O-N 3.1Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 3.25Å; S196-L203 WeakPolarHBondContact OG-CD2 3.4Å
197L90.8Very high85Confident121 Ų12153.2 Ų53.263%0.63429%0.287SS*.Hα-helixtrans-84.6-40.9-178.5-71.6169.9000112.8Q193 L194 C195Q193-L197 WeakPolarHBondContact O-CG 3.45Å; Q193-L197 PolarHBondContact O-N 2.83Å; Q193-L197 VanDerWaalsContact O-N 3.12Å; L194-L197 PolarHBondContact O-N 3.27Å; L194-L197 VanDerWaalsContact O-N 3.1Å; C195-L197 PolarHBondContact O-N 3.12Å
198Y91.6Very high83.7Confident15 Ų1562.4 Ų62.46%0.05932%0.32CS..Hα-helixtrans-110.7-29.1-166-66.2-67.8000114.5K16 P17 V19 W64 S66 L175 L194 C195K16-Y198 HydrophobicContact CB-CD1 4.32Å; K16-Y198 HydrophobicContact CB-CE1 4.34Å; K16-Y198 HydrophobicContact CD-CD1 3.85Å; P17-Y198 WeakPolarHBondContact O-CE1 3.27Å; V19-Y198 HydrophobicContact CG2-CD1 4.45Å; V19-Y198 HydrophobicContact CG2-CE1 3.66Å; W64-Y198 AromaticContact CH2-CD1 3.99Å; W64-Y198 HydrophobicContact CH2-CD1 3.99Å; W64-Y198 AromaticContact CH2-CD2 3.56Å; W64-Y198 HydrophobicContact CH2-CD2 3.56Å; W64-Y198 HydrophobicContact CH2-CE1 4.16Å; W64-Y198 AromaticContact CH2-CE2 3.71Å; W64-Y198 HydrophobicContact CH2-CE2 3.71Å; W64-Y198 AromaticContact CH2-CG 3.69Å; W64-Y198 HydrophobicContact CH2-CG 3.69Å; W64-Y198 HydrophobicContact CZ3-CD1 4.24Å; W64-Y198 HydrophobicContact CZ3-CD2 4.08Å; W64-Y198 AromaticContact CZ3-CE1 3.94Å; W64-Y198 HydrophobicContact CZ3-CE1 3.94Å; W64-Y198 AromaticContact CZ3-CE2 3.74Å; W64-Y198 HydrophobicContact CZ3-CE2 3.74Å; W64-Y198 HydrophobicContact CZ3-CG 4.3Å; W64-Y198 AromaticContact CZ3-CZ 3.67Å; S66-Y198 WeakPolarHBondContact CB-OH 3.08Å; L175-Y198 HydrophobicContact CD2-CD2 4.04Å; L194-Y198 HydrophobicContact CD2-CD2 4.26Å; L194-Y198 HydrophobicContact CD2-CE2 3.95Å; L194-Y198 WeakPolarHBondContact O-CD2 3.49Å; L194-Y198 PolarHBondContact O-N 3.39Å; C195-Y198 PolarHBondContact O-N 3.09Å
199T88.8Confident82.1Confident1 Ų166.7 Ų66.71%0.00634%0.339CS..  trans-141.454.8-178.458.80000111.3L173 L175 C195 E201 R202L173-T199 HydrophobicContact CD1-CG2 3.58Å; L173-T199 HydrophobicContact CG-CG2 3.75Å; L175-T199 HydrophobicContact CD1-CG2 4.2Å; L175-T199 VanDerWaalsContact CD1-OG1 3.3Å; L175-T199 WeakPolarHBondContact CD1-OG1 3.32Å; C195-T199 CarbonylContact O-C 2.95Å; C195-T199 WeakPolarHBondContact O-CA 3.42Å; C195-T199 PolarHBondContact O-N 2.9Å; C195-T199 PolarHBondContact SG-O 2.94Å; T199-E201 WeakPolarHBondContact CA-OE1 3.12Å; T199-E201 WeakPolarHBondContact CA-OE2 3.44Å; T199-E201 VanDerWaalsContact CB-OE1 3.27Å; T199-E201 WeakPolarHBondContact CB-OE1 2.99Å; T199-E201 PolarHBondContact O-N 3.27Å; T199-E201 VanDerWaalsContact O-N 3.09Å; T199-R202 PolarHBondContact O-N 2.9Å
200P88.1Confident80.5Confident68 Ų6863.1 Ų63.144%0.44232%0.316SS..G310 helixtrans-59.6-24.4-174.625.5-35.6000113.1C195 R202 L203C195-P200 VanDerWaalsContact O-N 3.08Å; P200-R202 PolarHBondContact O-N 3.46Å; P200-R202 VanDerWaalsContact O-N 3.16Å; P200-L203 HydrophobicContact CB-CD1 4.39Å; P200-L203 WeakPolarHBondContact O-CB 3.36Å; P200-L203 WeakPolarHBondContact O-CG 3.1Å; P200-L203 PolarHBondContact O-N 2.75Å
201E83.5Confident78.8Confident47 Ų4762.2 Ų62.222%0.2231%0.306CS..G310 helixtrans-59.2-21.1173.673.8-78.8174.300112.9T199 F204 E235T199-E201 WeakPolarHBondContact CA-OE1 3.12Å; T199-E201 WeakPolarHBondContact CA-OE2 3.44Å; T199-E201 VanDerWaalsContact CB-OE1 3.27Å; T199-E201 WeakPolarHBondContact CB-OE1 2.99Å; T199-E201 PolarHBondContact O-N 3.27Å; T199-E201 VanDerWaalsContact O-N 3.09Å; E201-F204 WeakPolarHBondContact O-CD1 2.92Å; E201-F204 WeakPolarHBondContact O-CE1 3.42Å; E201-E235 WeakPolarHBondContact CB-OE1 3.5Å; E201-E235 WeakPolarHBondContact CG-OE1 3.3Å
202R84.9Confident77.1Confident42 Ų4269.7 Ų69.716%0.15834%0.341CS..G310 helixtrans-91.8-6.4-178.4-57.4-60.3169.4-173.3-5.7113.4T199 P200 F204 L205T199-R202 PolarHBondContact O-N 2.9Å; P200-R202 PolarHBondContact O-N 3.46Å; P200-R202 VanDerWaalsContact O-N 3.16Å; R202-F204 PolarHBondContact O-N 2.81Å; R202-F204 VanDerWaalsContact O-N 3.07Å; R202-L205 HydrophobicContact CB-CD1 4.27Å; R202-L205 WeakPolarHBondContact O-CB 3.47Å; R202-L205 WeakPolarHBondContact O-CG 3.29Å; R202-L205 PolarHBondContact O-N 2.95Å
203L82.7Confident75.1Confident62 Ų6273 Ų7333%0.32536%0.356SS..G310 helixtrans-59.3-25.5-178.5-69.3176.6000113.5W181 C195 S196 P200 L205 N206W181-L203 HydrophobicContact CH2-CD2 3.81Å; W181-L203 HydrophobicContact CZ3-CD2 4.29Å; C195-L203 HydrophobicContact CB-CD2 4.06Å; S196-L203 WeakPolarHBondContact OG-CD2 3.4Å; P200-L203 HydrophobicContact CB-CD1 4.39Å; P200-L203 WeakPolarHBondContact O-CB 3.36Å; P200-L203 WeakPolarHBondContact O-CG 3.1Å; P200-L203 PolarHBondContact O-N 2.75Å; L203-L205 PolarHBondContact O-N 3.33Å; L203-N206 VanDerWaalsContact O-CB 3.3Å; L203-N206 WeakPolarHBondContact O-CB 3.13Å; L203-N206 PolarHBondContact O-N 2.98Å
204F80.4Confident73.4Confident111 Ų11169.1 Ų69.149%0.48734%0.337SS..G310 helixtrans-65-22.7176.473.5-99.2000113E201 R202 N206 T207 S210E201-F204 WeakPolarHBondContact O-CD1 2.92Å; E201-F204 WeakPolarHBondContact O-CE1 3.42Å; R202-F204 PolarHBondContact O-N 2.81Å; R202-F204 VanDerWaalsContact O-N 3.07Å; F204-N206 PolarHBondContact O-N 3.42Å; F204-N206 VanDerWaalsContact O-N 3.15Å; F204-T207 PolarHBondContact O-N 2.95Å; F204-T207 PolarHBondContact O-OG1 2.98Å; F204-S210 PolarHBondContact O-OG 2.86Å
205L75.2Confident71.5Confident3 Ų371.5 Ų71.52%0.01636%0.356CS..G310 helixtrans-60.4-25.7177.2-66.3174.6000111.7W181 Y182 R202 L203 T207 S210 H211 F214W181-L205 HydrophobicContact CE3-CB 4.24Å; Y182-L205 HydrophobicContact CE1-CD1 4.28Å; Y182-L205 WeakPolarHBondContact OH-CD1 3.32Å; R202-L205 HydrophobicContact CB-CD1 4.27Å; R202-L205 WeakPolarHBondContact O-CB 3.47Å; R202-L205 WeakPolarHBondContact O-CG 3.29Å; R202-L205 PolarHBondContact O-N 2.95Å; L203-L205 PolarHBondContact O-N 3.33Å; L205-T207 PolarHBondContact O-N 2.61Å; L205-S210 WeakPolarHBondContact CA-OG 3.42Å; L205-S210 PolarHBondContact O-OG 3.41Å; L205-H211 PolarHBondContact O-CD2 3.41Å; L205-H211 VanDerWaalsContact O-CD2 3.24Å; L205-H211 PolarHBondContact O-NE2 3.02Å; L205-H211 VanDerWaalsContact O-NE2 3.1Å; L205-F214 HydrophobicContact CD2-CD2 4.44Å
206N64.8Low69.5Low74 Ų7473.6 Ų73.640%0.39637%0.373SS..G310 helixtrans-66.7-5.4174.1-165.932.1000114W181 P187 Q192 L203 F204W181-N206 HydrophobicContact CE3-CB 4.24Å; W181-N206 HydrophobicContact CZ3-CB 3.81Å; P187-N206 WeakPolarHBondContact CD-OD1 3.19Å; P187-N206 VanDerWaalsContact CG-OD1 3.27Å; P187-N206 WeakPolarHBondContact CG-OD1 3.31Å; Q192-N206 PolarHBondContact NE2-ND2 3.49Å; L203-N206 VanDerWaalsContact O-CB 3.3Å; L203-N206 WeakPolarHBondContact O-CB 3.13Å; L203-N206 PolarHBondContact O-N 2.98Å; F204-N206 PolarHBondContact O-N 3.42Å; F204-N206 VanDerWaalsContact O-N 3.15Å
207T64.1Low67.2Low80 Ų8075.4 Ų75.449%0.49138%0.378SS..SBendtrans-90.8123.4171.752.20000110.4F204 L205 E209 S210F204-T207 PolarHBondContact O-N 2.95Å; F204-T207 PolarHBondContact O-OG1 2.98Å; L205-T207 PolarHBondContact O-N 2.61Å; T207-E209 PolarHBondContact O-N 2.84Å; T207-E209 VanDerWaalsContact O-N 3.1Å; T207-S210 WeakPolarHBondContact O-CB 3.11Å; T207-S210 PolarHBondContact O-N 3.36Å; T207-S210 PolarHBondContact O-OG 2.96Å
208R56.2Low65.4Low205 Ų20570.3 Ų70.377%0.77435%0.351SS*.Hα-helixtrans-53-35.4-174.6-63.1-178.587.7177.66.8113.7S210 H211R208-S210 PolarHBondContact O-N 3.05Å; R208-S210 VanDerWaalsContact O-N 3.17Å; R208-H211 PolarHBondContact O-N 3.1Å; R208-H211 VanDerWaalsContact O-N 3.13Å
209E53.7Low63.3Low155 Ų15576 Ų7672%0.72438%0.378SS*.Hα-helixtrans-60.6-26178.2-63.4-179.6176.100113.2T207T207-E209 PolarHBondContact O-N 2.84Å; T207-E209 VanDerWaalsContact O-N 3.1Å
210S54.1Low61Low13 Ų1382.4 Ų82.49%0.09141%0.413CS..Hα-helixtrans-78.8-26.1179.2730000113F204 L205 T207 R208 F214F204-S210 PolarHBondContact O-OG 2.86Å; L205-S210 WeakPolarHBondContact CA-OG 3.42Å; L205-S210 PolarHBondContact O-OG 3.41Å; T207-S210 WeakPolarHBondContact O-CB 3.11Å; T207-S210 PolarHBondContact O-N 3.36Å; T207-S210 PolarHBondContact O-OG 2.96Å; R208-S210 PolarHBondContact O-N 3.05Å; R208-S210 VanDerWaalsContact O-N 3.17Å; S210-F214 WeakPolarHBondContact O-CB 3.36Å; S210-F214 PolarHBondContact O-N 2.92Å
211H52.9Low58.6Low34 Ų3482.3 Ų82.316%0.15742%0.424CS..Hα-helixtrans-66.9-44-179.5-82.6-105.7000112.3W181 T183 L205 R208 F214 S215W181-H211 PolarHBondContact O-CE1 3.17Å; W181-H211 PolarHBondContact O-NE2 2.93Å; T183-H211 PolarHBondContact O-CE1 3.4Å; L205-H211 PolarHBondContact O-CD2 3.41Å; L205-H211 VanDerWaalsContact O-CD2 3.24Å; L205-H211 PolarHBondContact O-NE2 3.02Å; L205-H211 VanDerWaalsContact O-NE2 3.1Å; R208-H211 PolarHBondContact O-N 3.1Å; R208-H211 VanDerWaalsContact O-N 3.13Å; H211-F214 PolarHBondContact O-N 3.3Å; H211-S215 VanDerWaalsContact O-CB 3.29Å; H211-S215 WeakPolarHBondContact O-CB 3.4Å; H211-S215 PolarHBondContact O-N 3.24Å; H211-S215 PolarHBondContact O-OG 3.47Å
212E52.9Low56.5Low159 Ų15982.4 Ų82.474%0.74343%0.428SS*.Hα-helixtrans-65.9-44.4179.1-66.3-179.2176.300111A216E212-A216 WeakPolarHBondContact O-CB 3.29Å; E212-A216 PolarHBondContact O-N 3.25Å; E212-A216 VanDerWaalsContact O-N 3.07Å
213Q49.3Very low54.4Low131 Ų13183.9 Ų83.961%0.61244%0.443SS*.Hα-helixtrans-67.3-40.6177.4-68-178.87.200111.9A216 N217Q213-A216 PolarHBondContact O-N 3.49Å; Q213-N217 WeakPolarHBondContact O-CB 3.37Å; Q213-N217 PolarHBondContact O-N 2.94Å; Q213-N217 PolarHBondContact O-ND2 3.09Å
214F54.6Low52.8Low48 Ų4886.9 Ų86.921%0.21146%0.464CS..Hα-helixtrans-68.9-40.4-179.7-163.8-97.8000111.6L168 Y182 L205 S210 H211 A216 N217 L218L168-F214 HydrophobicContact CD2-CE1 4.15Å; L168-F214 HydrophobicContact CD2-CZ 3.9Å; Y182-F214 AromaticContact CD1-CD1 3.89Å; Y182-F214 HydrophobicContact CD1-CD1 3.89Å; Y182-F214 AromaticContact CD1-CE1 3.92Å; Y182-F214 HydrophobicContact CD1-CE1 3.92Å; Y182-F214 AromaticContact CE1-CD1 3.37Å; Y182-F214 HydrophobicContact CE1-CD1 3.37Å; Y182-F214 AromaticContact CE1-CE1 3.11Å; Y182-F214 HydrophobicContact CE1-CE1 3.11Å; Y182-F214 HydrophobicContact CE1-CG 4.29Å; Y182-F214 AromaticContact CE1-CZ 3.89Å; Y182-F214 HydrophobicContact CE1-CZ 3.89Å; Y182-F214 AromaticContact CZ-CE1 3.78Å; L205-F214 HydrophobicContact CD2-CD2 4.44Å; S210-F214 WeakPolarHBondContact O-CB 3.36Å; S210-F214 PolarHBondContact O-N 2.92Å; H211-F214 PolarHBondContact O-N 3.3Å; F214-A216 PolarHBondContact O-N 2.98Å; F214-N217 PolarHBondContact O-N 2.7Å; F214-N217 VanDerWaalsContact O-N 3.16Å; F214-L218 HydrophobicContact CD1-CD1 3.34Å; F214-L218 HydrophobicContact CE1-CD1 3.06Å; F214-L218 HydrophobicContact CE1-CG 4.39Å; F214-L218 HydrophobicContact CE2-CD1 4.33Å; F214-L218 HydrophobicContact CG-CD1 4.1Å; F214-L218 HydrophobicContact CZ-CD1 3.63Å; F214-L218 VanDerWaalsContact O-CD1 3.29Å; F214-L218 WeakPolarHBondContact O-CD1 3.34Å; F214-L218 PolarHBondContact O-N 3.15Å
215S50.9Low51.5Low70 Ų7083 Ų8349%0.4945%0.451SS..Hα-helixtrans-59.5-46173.2-59.20000111.2H211 N217 L218H211-S215 VanDerWaalsContact O-CB 3.29Å; H211-S215 WeakPolarHBondContact O-CB 3.4Å; H211-S215 PolarHBondContact O-N 3.24Å; H211-S215 PolarHBondContact O-OG 3.47Å; S215-N217 VanDerWaalsContact C-N 3.31Å; S215-N217 PolarHBondContact O-N 3.35Å; S215-L218 PolarHBondContact O-N 3.23Å
216A48.9Very low50.8Low47 Ų4783.1 Ų83.139%0.38845%0.451SS..Hα-helixtrans-64.8-32.6175.200000113.3E212 Q213 F214 N220E212-A216 WeakPolarHBondContact O-CB 3.29Å; E212-A216 PolarHBondContact O-N 3.25Å; E212-A216 VanDerWaalsContact O-N 3.07Å; Q213-A216 PolarHBondContact O-N 3.49Å; F214-A216 PolarHBondContact O-N 2.98Å; A216-N220 PolarHBondContact O-ND2 3.16Å
217N44Very low50.7Low97 Ų9782.2 Ų82.252%0.51945%0.446SS..Hα-helixtrans-76.4-28.1177.8-71.9-31.8000112.8Q213 F214 S215 E219 N220 G221Q213-N217 WeakPolarHBondContact O-CB 3.37Å; Q213-N217 PolarHBondContact O-N 2.94Å; Q213-N217 PolarHBondContact O-ND2 3.09Å; F214-N217 PolarHBondContact O-N 2.7Å; F214-N217 VanDerWaalsContact O-N 3.16Å; S215-N217 VanDerWaalsContact C-N 3.31Å; S215-N217 PolarHBondContact O-N 3.35Å; N217-E219 PolarHBondContact O-N 3.08Å; N217-N220 PolarHBondContact O-N 3.24Å; N217-G221 PolarHBondContact O-N 3.2Å
218L51.8Low50.4Low14 Ų1478.4 Ų78.47%0.07342%0.423CS..Hα-helixtrans-65.4-29.7176.2-107.877.1000113I158 C159 Q164 F214 S215 V222I158-L218 WeakPolarHBondContact O-CD2 3.42Å; C159-L218 VanDerWaalsContact CA-CD2 3.5Å; C159-L218 HydrophobicContact CB-CD2 3.34Å; Q164-L218 PolarHBondContact NE2-O 3.1Å; F214-L218 HydrophobicContact CD1-CD1 3.34Å; F214-L218 HydrophobicContact CE1-CD1 3.06Å; F214-L218 HydrophobicContact CE1-CG 4.39Å; F214-L218 HydrophobicContact CE2-CD1 4.33Å; F214-L218 HydrophobicContact CG-CD1 4.1Å; F214-L218 HydrophobicContact CZ-CD1 3.63Å; F214-L218 VanDerWaalsContact O-CD1 3.29Å; F214-L218 WeakPolarHBondContact O-CD1 3.34Å; F214-L218 PolarHBondContact O-N 3.15Å; S215-L218 PolarHBondContact O-N 3.23Å; L218-V222 HydrophobicContact CD1-CG2 4.37Å; L218-V222 HydrophobicContact CG-CG2 4.25Å
219E47.1Very low50.7Low134 Ų13475.1 Ų75.163%0.62641%0.41SS*.Hα-helixtrans-79.3-24.5176.3-63-173.5164.500112.4N217N217-E219 PolarHBondContact O-N 3.08Å
220N41.7Very low51.1Low136 Ų13673.3 Ų73.373%0.72740%0.4SS*.Hα-helixtrans-117.12.1-163-72.1-49.9000117.9A216 N217A216-N220 PolarHBondContact O-ND2 3.16Å; N217-N220 PolarHBondContact O-N 3.24Å
221G36.6Very low51.4Low66 Ų6673.8 Ų73.868%0.6840%0.401SS*.  trans152.559.5170.200000118.2N217N217-G221 PolarHBondContact O-N 3.2Å
222V40.5Very low51.6Low50 Ų5073.4 Ų73.430%0.30340%0.4SS..  trans-78.3135.8178.4-175.70000111.5L218 V224L218-V222 HydrophobicContact CD1-CG2 4.37Å; L218-V222 HydrophobicContact CG-CG2 4.25Å; V222-V224 PolarHBondContact O-N 3.29Å
223P39.3Very low51.8Low73 Ų7371.9 Ų71.947%0.47440%0.398SS..  trans-53.6128.5-174-24.431.5000113.8R167 S225R167-P223 PolarHBondContact NE-O 3.3Å; R167-P223 PolarHBondContact NH1-O 2.89Å; R167-P223 PolarHBondContact NH2-O 3.41Å; P223-S225 PolarHBondContact O-N 3.07Å
224V50.1Low51.7Low125 Ų12572 Ų7276%0.75840%0.396SS*.  trans-67.4-1.8-169.6-167.60000114.8R167 V222R167-V224 PolarHBondContact NH2-O 2.96Å; V222-V224 PolarHBondContact O-N 3.29Å
225S52.4Low51Low30 Ų3074.4 Ų74.421%0.2141%0.408CS..  trans-89.2128.5-171175.30000113.1R167 P223 N227 L231R167-S225 PolarHBondContact NE-O 3.2Å; P223-S225 PolarHBondContact O-N 3.07Å; S225-N227 VanDerWaalsContact C-N 3.33Å; S225-N227 VanDerWaalsContact OG-CB 3.29Å; S225-N227 WeakPolarHBondContact OG-CB 3.4Å; S225-N227 PolarHBondContact OG-N 3.06Å; S225-N227 VanDerWaalsContact OG-N 3.08Å; S225-L231 WeakPolarHBondContact O-CD2 2.89Å
226L60.1Low50.5Low4 Ų479.8 Ų79.82%0.02142%0.423CS..  trans-87.95.1165.8-93.7158.3000112.9M1 F2 T5 Q163 I166 R167 S228M1-L226 HydrophobicContact CE-CB 4.09Å; M1-L226 HydrophobicContact CG-CB 4.16Å; M1-L226 HydrophobicContact CG-CD1 4.13Å; M1-L226 HydrophobicContact SD-CB 3.91Å; M1-L226 HydrophobicContact SD-CD1 3.54Å; M1-L226 VanDerWaalsContact SD-CD1 3.54Å; M1-L226 HydrophobicContact SD-CG 4.37Å; F2-L226 HydrophobicContact CD1-CD1 4.14Å; F2-L226 HydrophobicContact CD1-CD2 3.93Å; F2-L226 HydrophobicContact CE1-CD1 3.69Å; F2-L226 HydrophobicContact CE1-CD2 3.75Å; F2-L226 HydrophobicContact CE1-CG 4.39Å; F2-L226 HydrophobicContact CE2-CD1 4.48Å; F2-L226 HydrophobicContact CZ-CD1 3.88Å; T5-L226 WeakPolarHBondContact CB-O 3.4Å; T5-L226 HydrophobicContact CG2-CD2 4.48Å; T5-L226 WeakPolarHBondContact CG2-O 3.33Å; T5-L226 PolarHBondContact OG1-O 3.31Å; Q163-L226 HydrophobicContact CG-CD1 3.82Å; Q163-L226 HydrophobicContact CG-CD2 4.25Å; Q163-L226 HydrophobicContact CG-CG 3.93Å; I166-L226 HydrophobicContact CB-CD2 4.49Å; I166-L226 HydrophobicContact CG2-CD2 3.93Å; R167-L226 HydrophobicContact CG-CD2 4.44Å; L226-S228 PolarHBondContact O-N 2.67Å
227N62.5Low49.6Very low56 Ų5682.9 Ų82.930%0.29944%0.442SS..  trans-74.9113-179.7-176.3-59.3000110.6S225 R229 K230 L231S225-N227 VanDerWaalsContact C-N 3.33Å; S225-N227 VanDerWaalsContact OG-CB 3.29Å; S225-N227 WeakPolarHBondContact OG-CB 3.4Å; S225-N227 PolarHBondContact OG-N 3.06Å; S225-N227 VanDerWaalsContact OG-N 3.08Å; N227-R229 VanDerWaalsContact C-N 3.29Å; N227-R229 PolarHBondContact O-N 2.62Å; N227-R229 WeakPolarHBondContact OD1-CA 3.37Å; N227-R229 WeakPolarHBondContact OD1-CB 3.46Å; N227-R229 PolarHBondContact OD1-N 3.17Å; N227-K230 HydrophobicContact CB-CB 4.03Å; N227-K230 HydrophobicContact CB-CD 4.08Å; N227-K230 HydrophobicContact CB-CG 4Å; N227-K230 PolarHBondContact O-N 2.94Å; N227-K230 PolarHBondContact OD1-N 2.91Å; N227-L231 WeakPolarHBondContact O-CG 3.39Å; N227-L231 PolarHBondContact O-N 3.13Å
228S59.7Low49.1Very low0 Ų081.8 Ų81.80%045%0.453CS..Hα-helixtrans-55.4-41.2-177.9-45.30000112.6T5 L226 K230 L231 L232T5-S228 WeakPolarHBondContact CG2-OG 3.46Å; T5-S228 PolarHBondContact O-OG 3.35Å; L226-S228 PolarHBondContact O-N 2.67Å; S228-K230 PolarHBondContact O-N 3.01Å; S228-L231 PolarHBondContact O-N 3.1Å; S228-L232 WeakPolarHBondContact O-CB 3.36Å; S228-L232 VanDerWaalsContact O-CG 3.26Å; S228-L232 WeakPolarHBondContact O-CG 3.32Å; S228-L232 PolarHBondContact O-N 2.87Å
229R61.1Low48.1Very low136 Ų13689.2 Ų89.251%0.51349%0.489SS..Hα-helixtrans-64.7-41.9177-62.4-176.7-173.3163.32.9111.4I12 N227 N233I12-R229 HydrophobicContact CD1-CG 4.21Å; N227-R229 VanDerWaalsContact C-N 3.29Å; N227-R229 PolarHBondContact O-N 2.62Å; N227-R229 WeakPolarHBondContact OD1-CA 3.37Å; N227-R229 WeakPolarHBondContact OD1-CB 3.46Å; N227-R229 PolarHBondContact OD1-N 3.17Å; R229-N233 WeakPolarHBondContact O-CB 3.42Å; R229-N233 PolarHBondContact O-N 3.01Å; R229-N233 PolarHBondContact O-ND2 3.03Å; R229-N233 PolarHBondContact O-OD1 3.11Å
230K62.3Low47.3Very low117 Ų11790.1 Ų90.151%0.50950%0.499SS..Hα-helixtrans-64.9-46.8174.7-67.1-175178.9-177.30110.5N227 S228 L232 N233 F234N227-K230 HydrophobicContact CB-CB 4.03Å; N227-K230 HydrophobicContact CB-CD 4.08Å; N227-K230 HydrophobicContact CB-CG 4Å; N227-K230 PolarHBondContact O-N 2.94Å; N227-K230 PolarHBondContact OD1-N 2.91Å; S228-K230 PolarHBondContact O-N 3.01Å; K230-L232 VanDerWaalsContact C-N 3.3Å; K230-L232 PolarHBondContact O-N 3.12Å; K230-N233 PolarHBondContact O-N 3.5Å; K230-F234 HydrophobicContact CB-CD2 4.36Å; K230-F234 WeakPolarHBondContact O-CB 3.34Å; K230-F234 WeakPolarHBondContact O-CD2 3.27Å; K230-F234 PolarHBondContact O-N 3.25Å
231L59.8Low46.6Very low22 Ų2295.9 Ų95.912%0.11551%0.51CS..Hα-helixtrans-58.9-40.9-179-72.6169.9000112.6R167 V170 V171 S225 N227 S228R167-L231 HydrophobicContact CB-CD1 4.22Å; R167-L231 HydrophobicContact CB-CD2 4.37Å; R167-L231 HydrophobicContact CG-CD1 3.93Å; R167-L231 HydrophobicContact CG-CD2 4.17Å; V170-L231 HydrophobicContact CB-CD1 4.45Å; V170-L231 HydrophobicContact CG1-CD1 4.1Å; V171-L231 HydrophobicContact CG1-CB 3.92Å; S225-L231 WeakPolarHBondContact O-CD2 2.89Å; N227-L231 WeakPolarHBondContact O-CG 3.39Å; N227-L231 PolarHBondContact O-N 3.13Å; S228-L231 PolarHBondContact O-N 3.1Å
232L58.9Low46.3Very low26 Ų2696.9 Ų96.914%0.13651%0.507CS..Hα-helixtrans-81.5-31.6179.2-64.3169000112.4I12 L173 S228 K230 F234I12-L232 HydrophobicContact CD1-CD1 3.59Å; I12-L232 HydrophobicContact CG2-CD1 4.04Å; L173-L232 HydrophobicContact CD2-CD1 4.17Å; L173-L232 HydrophobicContact CD2-CD2 4.1Å; S228-L232 WeakPolarHBondContact O-CB 3.36Å; S228-L232 VanDerWaalsContact O-CG 3.26Å; S228-L232 WeakPolarHBondContact O-CG 3.32Å; S228-L232 PolarHBondContact O-N 2.87Å; K230-L232 VanDerWaalsContact C-N 3.3Å; K230-L232 PolarHBondContact O-N 3.12Å; L232-F234 VanDerWaalsContact C-N 3.35Å
233N56.7Low45.7Very low128 Ų128102.3 Ų102.368%0.68453%0.534SS*.Hα-helixtrans-83.4-5.9176.7-64.5-4000113.7R229 K230 E235R229-N233 WeakPolarHBondContact O-CB 3.42Å; R229-N233 PolarHBondContact O-N 3.01Å; R229-N233 PolarHBondContact O-ND2 3.03Å; R229-N233 PolarHBondContact O-OD1 3.11Å; K230-N233 PolarHBondContact O-N 3.5Å; N233-E235 PolarHBondContact O-N 3.01Å; N233-E235 VanDerWaalsContact O-N 3.08Å
234F47.8Very low45.3Very low133 Ų133104.1 Ų104.158%0.58355%0.548SS*.THydrogen-bonded Turntrans-74.813.3178.4-109.5-75.5000113.4K230 L232 F236K230-F234 HydrophobicContact CB-CD2 4.36Å; K230-F234 WeakPolarHBondContact O-CB 3.34Å; K230-F234 WeakPolarHBondContact O-CD2 3.27Å; K230-F234 PolarHBondContact O-N 3.25Å; L232-F234 VanDerWaalsContact C-N 3.35Å; F234-F236 PolarHBondContact O-N 2.76Å
235E38.7Very low44.3Very low98 Ų98108.4 Ų108.446%0.45856%0.558SS.*  trans-64117.4164.9-74-178.8-175.600111.2E201 N233E201-E235 WeakPolarHBondContact CB-OE1 3.5Å; E201-E235 WeakPolarHBondContact CG-OE1 3.3Å; N233-E235 PolarHBondContact O-N 3.01Å; N233-E235 VanDerWaalsContact O-N 3.08Å
236F40.4Very low43.3Very low184 Ų184110.9 Ų110.981%0.80758%0.579SS**SBendtrans92.612.5149.3-93.9-85.2000123.1F234F234-F236 PolarHBondContact O-N 2.76Å
237S31.1Very low41.8Very low112 Ų112119.6 Ų119.678%0.78362%0.617SS**SBendtrans-95.326.2174.4670000116.4
238G32.6Very low40.3Very low73 Ų73123.2 Ų123.275%0.75364%0.642SS**SBendtrans-145.3-10.4-171.300000119.7
239M31.7Very low38.9Very low170 Ų170128.8 Ų128.884%0.83768%0.676SS**  trans-11877.4175.3-78.5167.684.100109.9R241M239-R241 VanDerWaalsContact C-N 3.33Å; M239-R241 PolarHBondContact O-N 2.95Å
240N28.4Very low37.8Very low154 Ų154128 Ų12882%0.82469%0.686SS**  trans-59.1102.8157.2-98.3-19.6000107.8S242N240-S242 PolarHBondContact O-N 3.32Å
241R29Very low36.2Very low256 Ų256131.6 Ų131.697%0.96670%0.704SS**  trans-63.683.4159.2-77.5-178.9169.3-176.3-2.7108M239M239-R241 VanDerWaalsContact C-N 3.33Å; M239-R241 PolarHBondContact O-N 2.95Å
242S29.8Very low35.1Very low87 Ų87135.8 Ų135.861%0.60874%0.736SS**  trans-124.3102.1166.743.20000109N240N240-S242 PolarHBondContact O-N 3.32Å
243N27.2Very low33.7Very low164 Ų164141.7 Ų141.788%0.87777%0.767SS**  trans45.999.8148.1-68.3-15.2000118.9
244S30.5Very low32.8Very low111 Ų111143.9 Ų143.978%0.77678%0.776SS**  trans-15670138.355.80000111.3A246S244-A246 PolarHBondContact O-N 2.85Å
245F28.9Very low32.2Very low216 Ų216142.4 Ų142.495%0.94778%0.782SS**  trans-65.583.5148.1-122.3-89.8000106.1K247F245-K247 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 2.98Å
246A31.3Very low31.9Very low81 Ų81144.5 Ų144.567%0.66980%0.796SS**  trans-66.299.8170.700000106.8S244 T248S244-A246 PolarHBondContact O-N 2.85Å; A246-T248 PolarHBondContact O-N 2.96Å
247K30Very low31.8Very low187 Ų187144.1 Ų144.181%0.81379%0.794SS**  trans-51.7107.7160.7-89178.7173.5176.70107.5F245 T249F245-K247 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 2.98Å; K247-T249 PolarHBondContact O-N 2.89Å
248T29.8Very low31.9Very low133 Ų133146.8 Ų146.882%0.81680%0.8SS**  trans-64.387.9161.4-47.20000107.6A246A246-T248 PolarHBondContact O-N 2.96Å
249T31.1Very low31.9Very low117 Ų117147.2 Ų147.272%0.71880%0.804SS**  trans-86.3105.9165.4-58.90000107.1K247 Q251K247-T249 PolarHBondContact O-N 2.89Å; T249-Q251 PolarHBondContact O-N 3.36Å
250V38.3Very low32Very low120 Ų120144.7 Ų144.773%0.72780%0.803SS**  trans-60.8120.2168.7175.30000108.4
251Q29.3Very low32.4Very low191 Ų191142.6 Ų142.689%0.89380%0.801SS**  trans-67.7125164.7-85.1173.5-38.400108.8T249T249-Q251 PolarHBondContact O-N 3.36Å
252S35.2Very low32.8Very low110 Ų110133.9 Ų133.977%0.76978%0.783SS**  trans-129.912015860.50000108.7
253D30.9Very low33.2Very low151 Ų151137 Ų13781%0.80779%0.793SS**  trans-51.6143.3175.3-65.5-54.5000113.1
254M36.7Very low33.7Very low174 Ų174133 Ų13386%0.85778%0.778SS**  160.4107.3118.8-83-159.416500112.5
255S34.7Very low34Very low101 Ų101138.4 Ų138.471%0.70678%0.781SS**  trans30.4120.1137.1660000121.7
256N33.7Very low34.4Very low143 Ų143134.6 Ų134.677%0.76577%0.771SS**  93.1129121.1-97.7-16.4000122.7
257K37.9Very low34.6Very low175 Ų175135.4 Ų135.476%0.76177%0.771SS**  trans89.299.4142.9-73.1177.4178.2178.50119.4
258N32.2Very low34.8Very low169 Ų169138.6 Ų138.690%0.90478%0.778SS**  30.8128.7124.1-64.1-3.3000119.1
259G33.4Very low35.1Very low82 Ų82137.1 Ų137.185%0.84577%0.774SS**  trans162.3105.8153.100000114.7
260S34.7Very low35.3Very low117 Ų117138.2 Ų138.282%0.81878%0.775SS**  trans-53157.3-178.861.10000119
261S36.9Very low35.3Very low110 Ų110138.7 Ų138.777%0.76977%0.773SS**  103.4106.1127.9-145.60000119.8
262A36.4Very low35.8Very low72 Ų72136 Ų13660%0.59576%0.764SS**  70.4138.5120.500000122.7
263D38.2Very low36.1Very low152 Ų152136.2 Ų136.281%0.81376%0.76SS**  trans76.9140.3145.6-62.4-19.2000118.1
264S36.8Very low36.5Very low80 Ų80135.3 Ų135.356%0.55976%0.756SS**  cis177.9-179.5-13.241.40000107
265W36.7Very low36.9Very low226 Ų226133 Ų13386%0.85675%0.752SS**  trans99.991.2159.6-57.584.7000120.8
266N39.3Very low37.2Very low136 Ų136131.3 Ų131.373%0.72775%0.75SS**  46.5116.2114.3-91.7-22.5000122.8
267S34.2Very low37.6Very low97 Ų97135.6 Ų135.668%0.67876%0.755SS**  44.2120.3114.4-51.30000120.7
268R35.5Very low37.9Very low254 Ų254137.8 Ų137.896%0.95876%0.759SS**  -176.4152.3121.7-103.7170.3175.8-175.1-1114.5
269S35.1Very low38.5Very low103 Ų103135 Ų13572%0.7275%0.753SS**  trans-83.8167.2-163.6-40.30000116.6
270N35Very low38.7Very low140 Ų140140.8 Ų140.875%0.74975%0.754SS**  trans78.6139.5136.4-80.911.7000121.7
271D38.8Very low39.5Very low129 Ų129148.6 Ų148.669%0.6977%0.774SS**  trans105.2111.2140.3-67.7-22.4000120.7
272I39.1Very low39.7Very low136 Ų136150.6 Ų150.670%0.69777%0.774SS**  88.2106.9117.3-70.4174.1000119.1
273V41.4Very low39.8Very low114 Ų114154.7 Ų154.769%0.69178%0.783SS**  86.9125.4120.5174.90000121.2
274N39.4Very low39.9Very low132 Ų132154.8 Ų154.871%0.70678%0.782SS**  trans103.7128.6132.6-102.4-10000122.8
275T46Very low40.1Very low126 Ų126159.2 Ų159.277%0.77380%0.795SS**  trans66.8133.5136.762.20000117.4
276G40.7Very low40.3Very low65 Ų65155.1 Ų155.167%0.6779%0.791SS**  cis153.8156.28.400000108.9
277R42.6Very low40.4Very low233 Ų233156.3 Ų156.388%0.87980%0.795SS**  trans69.1144.2165.6-71.5177.7170.7174.4-2115.9
278R43Very low40.8Very low221 Ų221160.6 Ų160.683%0.83480%0.803SS**  cis-165125.726-132.3166.2172.3178.7-3.4106.3
279S45.1Very low41.2Very low111 Ų111153.4 Ų153.478%0.77679%0.792SS**  92.3129.587.3-165.40000115.4
280K38.1Very low41.8Very low202 Ų202157.6 Ų157.688%0.87880%0.797SS**  trans-45.6145.4173.5-65.3170.5171.4178.60115.6
281K51.9Low42.4Very low282 Ų282159.2 Ų159.2100%1.22680%0.802SS**  -144.70115.4-140179.1-172.3-177.10108.5

Retrieved 281 of 281 residues in 155.8 ms (Link to these results)

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