A0A5K4F8C3_SCHMA Loading...

SH3 domain-containing kinase-binding protein 1

AlphaFold DB , UniProt , Accession A0A5K4F8C3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 728 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
1M85.6Confident93.8Very high111 Ų11164.5 Ų64.555%0.54733%0.325SS..  0160.30-178.3-173.1-7400109.2V3 R26 D27 V28 V54M1-V3 HydrophobicContact CG-CG1 4.3Å; M1-V3 HydrophobicContact SD-CG1 4Å; M1-R26 CarbonylContact O-C 3.52Å; M1-D27 PolarHBondContact O-N 3.49Å; M1-D27 VanDerWaalsContact O-N 3.11Å; M1-V28 HydrophobicContact CB-CB 4.11Å; M1-V28 VanDerWaalsContact CB-O 3.28Å; M1-V28 WeakPolarHBondContact CB-O 3.46Å; M1-V28 PolarHBondContact N-O 2.95Å; M1-V28 PolarHBondContact O-N 2.96Å; M1-V54 HydrophobicContact CE-CG1 4.41Å; M1-V54 HydrophobicContact CE-CG2 4.44Å; M1-V54 HydrophobicContact CG-CG1 4.23Å; M1-V54 HydrophobicContact SD-CB 4.24Å; M1-V54 HydrophobicContact SD-CG1 3.7Å; M1-V54 HydrophobicContact SD-CG2 3.66Å
2E92.5Very high93.6Very high65 Ų6573.6 Ų73.630%0.30437%0.366SS..  trans-103.4135.8161.8-74.9-160.8156.800109.9R26 K55E2-R26 HydrophobicContact CG-CG 4.45Å; E2-R26 IonicContact OE1-NE 3.77Å; E2-K55 HydrophobicContact CB-CB 4.33Å; E2-K55 HydrophobicContact CB-CD 4.34Å; E2-K55 PolarHBondContact O-N 3.43Å; E2-K55 VanDerWaalsContact O-N 3.08Å; E2-K55 WeakPolarHBondContact OE2-CD 3.4Å; E2-K55 WeakPolarHBondContact OE2-CE 3.48Å; E2-K55 IonicContact OE2-NZ 2.67Å; E2-K55 PolarHBondContact OE2-NZ 3.42Å
3V94.6Very high93.4Very high0 Ų076.8 Ų76.80%038%0.379CS..EExtended strand (participates in β ladder)trans-128.9153.5173.4-51.80000109.6M1 I24 I25 V28 F47 V52 K53M1-V3 HydrophobicContact CG-CG1 4.3Å; M1-V3 HydrophobicContact SD-CG1 4Å; V3-I24 WeakPolarHBondContact O-CA 3.39Å; V3-I25 HydrophobicContact CG2-CB 3.88Å; V3-I25 HydrophobicContact CG2-CD1 4.32Å; V3-I25 HydrophobicContact CG2-CG1 4.28Å; V3-I25 PolarHBondContact N-O 3.47Å; V3-I25 VanDerWaalsContact N-O 3.13Å; V3-I25 PolarHBondContact O-N 3.03Å; V3-I25 VanDerWaalsContact O-N 3.09Å; V3-V28 HydrophobicContact CG1-CB 4.25Å; V3-V28 HydrophobicContact CG1-CG1 4.06Å; V3-V28 HydrophobicContact CG1-CG2 4.25Å; V3-V28 HydrophobicContact CG2-CG2 3.89Å; V3-F47 HydrophobicContact CG2-CE2 4.46Å; V3-F47 HydrophobicContact CG2-CZ 4.41Å; V3-V52 HydrophobicContact CB-CB 3.95Å; V3-V52 HydrophobicContact CB-CG2 3.99Å; V3-V52 HydrophobicContact CG1-CG2 4.18Å; V3-V52 HydrophobicContact CG2-CB 3.69Å; V3-V52 HydrophobicContact CG2-CG1 3.87Å; V3-V52 HydrophobicContact CG2-CG2 3.86Å; V3-K53 CarbonylContact C-O 3.59Å; V3-K53 WeakPolarHBondContact CA-O 3.38Å; V3-K53 WeakPolarHBondContact CB-O 3.48Å
4I95Very high93.1Very high67 Ų6782.9 Ų82.934%0.34441%0.414SS..EExtended strand (participates in β ladder)trans-107.7135.7169-172.9168.8000109.2D23 V52 K53I4-D23 WeakPolarHBondContact CA-O 3.48Å; I4-V52 CarbonylContact O-C 3.58Å; I4-V52 WeakPolarHBondContact O-CA 2.93Å; I4-K53 HydrophobicContact CG2-CB 4.07Å; I4-K53 PolarHBondContact N-O 3.44Å; I4-K53 PolarHBondContact O-N 2.75Å
5V95.7Very high93.1Very high3 Ų383.7 Ų83.72%0.01842%0.42CS..EExtended strand (participates in β ladder)trans-77126-178.2178.70000109.9Y7 I19 K20 G22 D23 I25 V52V5-Y7 WeakPolarHBondContact CG1-O 3.38Å; V5-I19 HydrophobicContact CG1-CB 4.17Å; V5-I19 HydrophobicContact CG1-CD1 3.91Å; V5-I19 HydrophobicContact CG1-CG1 4.08Å; V5-I19 HydrophobicContact CG2-CB 4.02Å; V5-I19 HydrophobicContact CG2-CD1 4.22Å; V5-K20 VanDerWaalsContact CB-O 3.25Å; V5-K20 WeakPolarHBondContact CB-O 3.37Å; V5-K20 VanDerWaalsContact CG1-O 3.27Å; V5-K20 WeakPolarHBondContact CG1-O 3.4Å; V5-G22 PolarHBondContact O-N 2.71Å; V5-D23 HydrophobicContact CB-CB 4.32Å; V5-D23 HydrophobicContact CG2-CB 3.92Å; V5-D23 WeakPolarHBondContact CG2-O 3.37Å; V5-D23 PolarHBondContact N-O 3.47Å; V5-I25 HydrophobicContact CG2-CD1 3.73Å; V5-I25 HydrophobicContact CG2-CG1 3.86Å; V5-V52 HydrophobicContact CG2-CG1 4.03Å
6E94.1Very high93.2Very high66 Ų6680.5 Ų80.531%0.30840%0.403SS..  trans-101.5-18.2-177.3-165.5155.2-159.400112.6K21 F51 K53E6-K21 WeakPolarHBondContact O-CG 3.36Å; E6-K21 PolarHBondContact O-NZ 2.96Å; E6-F51 PolarHBondContact N-O 2.92Å; E6-K53 IonicContact OE1-NZ 2.59Å; E6-K53 PolarHBondContact OE1-NZ 3.41Å; E6-K53 IonicContact OE2-NZ 2.67Å; E6-K53 PolarHBondContact OE2-NZ 3.01Å
7Y94.9Very high93.2Very high133 Ų13376.2 Ų76.252%0.52238%0.382SS..SBendtrans-139.5147.5176.4-60.5-79.2000111.5V5 F51V5-Y7 WeakPolarHBondContact CG1-O 3.38Å; Y7-F51 PolarHBondContact N-O 3.15Å
8D95.2Very high93.3Very high106 Ų10675.7 Ų75.757%0.56738%0.384SS*.  trans-73.1136.3175.5-58.3-61.6000111K20 K21 F51D8-K20 WeakPolarHBondContact OD1-CA 3.44Å; D8-K20 WeakPolarHBondContact OD1-CB 3.45Å; D8-K21 PolarHBondContact OD1-N 3.11Å; D8-F51 WeakPolarHBondContact O-CE1 3.31Å
9Y95.9Very high93.5Very high32 Ų3271.7 Ų71.713%0.12536%0.363CS..BIsolated β-bridgetrans-140.4145173.1168.1-99.6000110.3E16 L17 T18 I19 P48 F51Y9-E16 PolarHBondContact OH-OE1 3.33Å; Y9-E16 VanDerWaalsContact OH-OE1 3.06Å; Y9-E16 PolarHBondContact OH-OE2 3.16Å; Y9-E16 VanDerWaalsContact OH-OE2 3.05Å; Y9-L17 WeakPolarHBondContact CD1-O 3.31Å; Y9-T18 CarbonylContact O-C 3.54Å; Y9-T18 WeakPolarHBondContact O-CA 3.34Å; Y9-I19 HydrophobicContact CD1-CG1 4.23Å; Y9-I19 PolarHBondContact N-O 3.16Å; Y9-I19 PolarHBondContact O-N 3.01Å; Y9-P48 HydrophobicContact CD1-CG 4.49Å; Y9-P48 HydrophobicContact CD2-CG 4.3Å; Y9-P48 HydrophobicContact CE1-CG 4.38Å; Y9-P48 HydrophobicContact CE2-CG 4.2Å; Y9-P48 HydrophobicContact CG-CG 4.45Å; Y9-F51 HydrophobicContact CD2-CE1 4.49Å
10T95.1Very high93.5Very high97 Ų9774.6 Ų74.660%0.59537%0.373SS*.  trans-118.2129-178.2-56.50000108.5E12 T18T10-E12 PolarHBondContact O-N 3.4Å; T10-T18 HydrophobicContact CG2-CG2 4.48Å
11A93.5Very high93.6Very high30 Ų3077.2 Ų77.225%0.24838%0.382CS..  trans-58.3127.2174.500000110.9E16 T18A11-E16 WeakPolarHBondContact CA-OE2 3.27Å; A11-E16 HydrophobicContact CB-CB 3.57Å; A11-T18 PolarHBondContact N-OG1 2.82Å
12E91.2Very high93.9Very high173 Ų17374.1 Ų74.181%0.80838%0.379SS*.SBendtrans-90-35.4168.7-57.7-168.6-177.100110T10 E16T10-E12 PolarHBondContact O-N 3.4Å; E12-E16 WeakPolarHBondContact CA-OE2 3.36Å; E12-E16 PolarHBondContact N-OE2 3.37Å
13E90.8Very high94.1Very high115 Ų11573.2 Ų73.254%0.53738%0.376SS..SBendtrans-109.8170.1178.2-77.7-65173.100114.7E16E13-E16 HydrophobicContact CB-CG 4.32Å; E13-E16 PolarHBondContact N-OE2 3.38Å
14N90Very high94.1Very high162 Ų16276.5 Ų76.587%0.86639%0.393SS*.THydrogen-bonded Turntrans-79.4-19.6-168.6-70.3-90.5000114.8
15D92.4Very high94Very high95 Ų9573.3 Ų73.351%0.50838%0.377SS..THydrogen-bonded Turntrans-97.7-1.1177.156.4-42000113.2G45 V46D15-G45 CarbonylContact O-C 3.58Å; D15-G45 WeakPolarHBondContact O-CA 3.38Å; D15-V46 PolarHBondContact O-N 3.24Å
16E95.3Very high94Very high33 Ų3380.2 Ų80.215%0.15440%0.402CS..BIsolated β-bridgetrans-86.3155.4174.9-70.3174.3159.900113Y9 A11 E12 E13 W35 V46Y9-E16 PolarHBondContact OH-OE1 3.33Å; Y9-E16 VanDerWaalsContact OH-OE1 3.06Å; Y9-E16 PolarHBondContact OH-OE2 3.16Å; Y9-E16 VanDerWaalsContact OH-OE2 3.05Å; A11-E16 WeakPolarHBondContact CA-OE2 3.27Å; A11-E16 HydrophobicContact CB-CB 3.57Å; E12-E16 WeakPolarHBondContact CA-OE2 3.36Å; E12-E16 PolarHBondContact N-OE2 3.37Å; E13-E16 HydrophobicContact CB-CG 4.32Å; E13-E16 PolarHBondContact N-OE2 3.38Å; E16-W35 HydrophobicContact CG-CZ3 4.27Å; E16-W35 VanDerWaalsContact OE1-CH2 3.32Å; E16-W35 WeakPolarHBondContact OE1-CH2 3.49Å; E16-V46 CarbonylContact C-O 3.58Å; E16-V46 VanDerWaalsContact CA-O 3.28Å; E16-V46 WeakPolarHBondContact CA-O 3.41Å; E16-V46 HydrophobicContact CB-CG2 4.48Å; E16-V46 HydrophobicContact CG-CG2 3.75Å
17L93.3Very high93.8Very high7 Ų782.9 Ų82.94%0.03742%0.419CS..  trans-101.5122.1171.2-69.6178.9000111.3Y9 I19 I25 L40 R43 V46 F47Y9-L17 WeakPolarHBondContact CD1-O 3.31Å; L17-I19 HydrophobicContact CB-CG2 3.78Å; L17-I19 PolarHBondContact O-N 3.06Å; L17-I25 HydrophobicContact CD1-CG2 4.43Å; L17-L40 HydrophobicContact CD1-CB 4Å; L17-R43 HydrophobicContact CD2-CB 3.76Å; L17-V46 PolarHBondContact N-O 2.86Å; L17-F47 HydrophobicContact CD1-CD1 4.06Å; L17-F47 HydrophobicContact CD1-CE1 4.47Å
18T95.1Very high93.7Very high68 Ų6876.8 Ų76.842%0.41740%0.395SS..  trans-67.7115.2157.7-64.20000108.9Y9 T10 A11Y9-T18 CarbonylContact O-C 3.54Å; Y9-T18 WeakPolarHBondContact O-CA 3.34Å; T10-T18 HydrophobicContact CG2-CG2 4.48Å; A11-T18 PolarHBondContact N-OG1 2.82Å
19I95.6Very high93.5Very high0 Ų074.1 Ų74.10%039%0.385CS..BIsolated β-bridgetrans-121.4141.5-174.460.6170.5000110V5 Y9 L17 I25 L40 F47 F51 V52V5-I19 HydrophobicContact CG1-CB 4.17Å; V5-I19 HydrophobicContact CG1-CD1 3.91Å; V5-I19 HydrophobicContact CG1-CG1 4.08Å; V5-I19 HydrophobicContact CG2-CB 4.02Å; V5-I19 HydrophobicContact CG2-CD1 4.22Å; Y9-I19 HydrophobicContact CD1-CG1 4.23Å; Y9-I19 PolarHBondContact N-O 3.16Å; Y9-I19 PolarHBondContact O-N 3.01Å; L17-I19 HydrophobicContact CB-CG2 3.78Å; L17-I19 PolarHBondContact O-N 3.06Å; I19-I25 HydrophobicContact CB-CD1 4.4Å; I19-I25 HydrophobicContact CG2-CD1 3.62Å; I19-I25 HydrophobicContact CG2-CG1 4.48Å; I19-L40 HydrophobicContact CB-CD2 4.37Å; I19-L40 HydrophobicContact CG2-CD2 3.84Å; I19-F47 HydrophobicContact CD1-CB 4.03Å; I19-F47 HydrophobicContact CD1-CD2 4.2Å; I19-F47 HydrophobicContact CD1-CG 4.34Å; I19-F47 HydrophobicContact CG2-CB 4.38Å; I19-F51 HydrophobicContact CD1-CB 4.03Å; I19-V52 HydrophobicContact CD1-CG1 4.28Å
20K95.1Very high93.2Very high129 Ų12977.3 Ų77.356%0.56140%0.401SS*.  trans-118.7147.8179.3-60.6-162.2175.3-159.60112.7V5 D8 G22 D23V5-K20 VanDerWaalsContact CB-O 3.25Å; V5-K20 WeakPolarHBondContact CB-O 3.37Å; V5-K20 VanDerWaalsContact CG1-O 3.27Å; V5-K20 WeakPolarHBondContact CG1-O 3.4Å; D8-K20 WeakPolarHBondContact OD1-CA 3.44Å; D8-K20 WeakPolarHBondContact OD1-CB 3.45Å; K20-G22 PolarHBondContact O-N 2.89Å; K20-G22 VanDerWaalsContact O-N 3.12Å; K20-D23 WeakPolarHBondContact CB-OD2 3.32Å; K20-D23 PolarHBondContact N-OD2 3.26Å; K20-D23 VanDerWaalsContact O-CB 3.23Å; K20-D23 WeakPolarHBondContact O-CB 3.38Å; K20-D23 PolarHBondContact O-N 3.21Å
21K94.6Very high92.8Very high130 Ų13077.7 Ų77.757%0.56540%0.395SS*.THydrogen-bonded Turntrans-54117179.4-173.8-178.1-173.190.90110.9E6 D8E6-K21 WeakPolarHBondContact O-CG 3.36Å; E6-K21 PolarHBondContact O-NZ 2.96Å; D8-K21 PolarHBondContact OD1-N 3.11Å
22G93.2Very high92.5Very high45 Ų4582 Ų8246%0.46441%0.41SS..THydrogen-bonded Turntrans100-10.3-175.600000115.5V5 K20V5-G22 PolarHBondContact O-N 2.71Å; K20-G22 PolarHBondContact O-N 2.89Å; K20-G22 VanDerWaalsContact O-N 3.12Å
23D95.3Very high92.4Very high47 Ų4782.2 Ų82.225%0.25141%0.41SS..  trans-61.6150.7170.2-76.5-27.9000110.9I4 V5 K20 L40I4-D23 WeakPolarHBondContact CA-O 3.48Å; V5-D23 HydrophobicContact CB-CB 4.32Å; V5-D23 HydrophobicContact CG2-CB 3.92Å; V5-D23 WeakPolarHBondContact CG2-O 3.37Å; V5-D23 PolarHBondContact N-O 3.47Å; K20-D23 WeakPolarHBondContact CB-OD2 3.32Å; K20-D23 PolarHBondContact N-OD2 3.26Å; K20-D23 VanDerWaalsContact O-CB 3.23Å; K20-D23 WeakPolarHBondContact O-CB 3.38Å; K20-D23 PolarHBondContact O-N 3.21Å; D23-L40 HydrophobicContact CB-CD1 4.01Å; D23-L40 HydrophobicContact CB-CD2 4.21Å
24I94.5Very high92.4Very high69 Ų6977.8 Ų77.835%0.35440%0.396SS..EExtended strand (participates in β ladder)trans-116.4107.3178-58.3175.1000108.4V3 K55V3-I24 WeakPolarHBondContact O-CA 3.39Å; I24-K55 HydrophobicContact CG2-CD 4.35Å
25I94.5Very high92.6Very high0 Ų073.5 Ų73.50%037%0.368CS..EExtended strand (participates in β ladder)trans-88.6134.6178-43.8174.9000108.3V3 V5 L17 I19 V28 C39 L40 F47 V52V3-I25 HydrophobicContact CG2-CB 3.88Å; V3-I25 HydrophobicContact CG2-CD1 4.32Å; V3-I25 HydrophobicContact CG2-CG1 4.28Å; V3-I25 PolarHBondContact N-O 3.47Å; V3-I25 VanDerWaalsContact N-O 3.13Å; V3-I25 PolarHBondContact O-N 3.03Å; V3-I25 VanDerWaalsContact O-N 3.09Å; V5-I25 HydrophobicContact CG2-CD1 3.73Å; V5-I25 HydrophobicContact CG2-CG1 3.86Å; L17-I25 HydrophobicContact CD1-CG2 4.43Å; I19-I25 HydrophobicContact CB-CD1 4.4Å; I19-I25 HydrophobicContact CG2-CD1 3.62Å; I19-I25 HydrophobicContact CG2-CG1 4.48Å; I25-V28 HydrophobicContact CB-CG2 3.89Å; I25-V28 HydrophobicContact CG2-CG2 3.68Å; I25-C39 WeakPolarHBondContact CG2-O 3.1Å; I25-L40 HydrophobicContact CG1-CB 4.41Å; I25-L40 HydrophobicContact CG2-CB 4.38Å; I25-F47 HydrophobicContact CB-CZ 4.41Å; I25-F47 HydrophobicContact CD1-CD1 3.9Å; I25-F47 HydrophobicContact CD1-CD2 3.94Å; I25-F47 HydrophobicContact CD1-CE1 3.69Å; I25-F47 HydrophobicContact CD1-CE2 3.73Å; I25-F47 HydrophobicContact CD1-CG 4.02Å; I25-F47 HydrophobicContact CD1-CZ 3.6Å; I25-F47 HydrophobicContact CG2-CE1 3.82Å; I25-F47 HydrophobicContact CG2-CZ 4.1Å; I25-V52 HydrophobicContact CD1-CG1 4.17Å
26R94.1Very high92.8Very high147 Ų14771.6 Ų71.656%0.55535%0.354SS*.EExtended strand (participates in β ladder)trans-107.5166.2-177.2-61.4-172.5-177.2-176.72.4111.6M1 E2 V28 C39M1-R26 CarbonylContact O-C 3.52Å; E2-R26 HydrophobicContact CG-CG 4.45Å; E2-R26 IonicContact OE1-NE 3.77Å; R26-V28 PolarHBondContact O-N 2.78Å; R26-C39 PolarHBondContact N-O 2.94Å; R26-C39 PolarHBondContact O-N 3.34Å
27D90.7Very high92.8Very high123 Ų12372.5 Ų72.566%0.65836%0.359SS*.EExtended strand (participates in β ladder)trans55.521.8175.2-50.9-43.5000114.1M1 S29M1-D27 PolarHBondContact O-N 3.49Å; M1-D27 VanDerWaalsContact O-N 3.11Å; D27-S29 PolarHBondContact O-N 3.14Å; D27-S29 PolarHBondContact O-OG 2.87Å
28V93Very high92.8Very high5 Ų572.3 Ų72.33%0.0336%0.359CS..EExtended strand (participates in β ladder)trans-61.8132.9-172.6177.70000111.5M1 V3 I25 R26 Y36 I37 F47M1-V28 HydrophobicContact CB-CB 4.11Å; M1-V28 VanDerWaalsContact CB-O 3.28Å; M1-V28 WeakPolarHBondContact CB-O 3.46Å; M1-V28 PolarHBondContact N-O 2.95Å; M1-V28 PolarHBondContact O-N 2.96Å; V3-V28 HydrophobicContact CG1-CB 4.25Å; V3-V28 HydrophobicContact CG1-CG1 4.06Å; V3-V28 HydrophobicContact CG1-CG2 4.25Å; V3-V28 HydrophobicContact CG2-CG2 3.89Å; I25-V28 HydrophobicContact CB-CG2 3.89Å; I25-V28 HydrophobicContact CG2-CG2 3.68Å; R26-V28 PolarHBondContact O-N 2.78Å; V28-Y36 HydrophobicContact CG1-CD2 3.66Å; V28-Y36 HydrophobicContact CG1-CE2 4.47Å; V28-Y36 HydrophobicContact CG1-CG 4.04Å; V28-I37 CarbonylContact C-O 3.54Å; V28-I37 VanDerWaalsContact CA-O 3.29Å; V28-I37 WeakPolarHBondContact CA-O 3.22Å; V28-F47 HydrophobicContact CG1-CZ 3.88Å; V28-F47 HydrophobicContact CG2-CE1 4.49Å; V28-F47 HydrophobicContact CG2-CZ 3.95Å
29S91.2Very high92.8Very high50 Ų5070.6 Ų70.635%0.3535%0.35SS..EExtended strand (participates in β ladder)trans-139.9155.5177.8-590000109.2D27 Y36 I37D27-S29 PolarHBondContact O-N 3.14Å; D27-S29 PolarHBondContact O-OG 2.87Å; S29-Y36 CarbonylContact O-C 3.46Å; S29-Y36 WeakPolarHBondContact O-CA 3.4Å; S29-I37 PolarHBondContact N-O 2.92Å; S29-I37 PolarHBondContact O-N 3.37Å
30Q88.9Confident92.7Very high99 Ų9971.1 Ų71.146%0.46335%0.352SS..EExtended strand (participates in β ladder)trans-68.7142.2171.8-169.5171.79.500110.4Y36Q30-Y36 HydrophobicContact CB-CD1 4.29Å; Q30-Y36 HydrophobicContact CB-CE1 4.35Å; Q30-Y36 HydrophobicContact CG-CD1 4.32Å; Q30-Y36 HydrophobicContact CG-CE1 4.32Å
31F86.2Confident92.5Very high105 Ų10572 Ų7246%0.46136%0.363SS..EExtended strand (participates in β ladder)trans-114.1-58.7177.9-179.8-102000110.5W35 I37 V46F31-W35 PolarHBondContact N-O 3.5Å; F31-I37 HydrophobicContact CB-CB 4.06Å; F31-I37 HydrophobicContact CB-CG2 4.17Å; F31-I37 HydrophobicContact CD2-CB 4.34Å; F31-I37 HydrophobicContact CD2-CD1 4.4Å; F31-I37 HydrophobicContact CD2-CG2 4.48Å; F31-I37 HydrophobicContact CG-CB 4.49Å; F31-V46 HydrophobicContact CB-CG1 4.27Å; F31-V46 HydrophobicContact CD1-CG1 3.67Å; F31-V46 HydrophobicContact CD2-CG1 4.1Å; F31-V46 HydrophobicContact CE1-CG1 3.96Å; F31-V46 HydrophobicContact CE2-CG1 4.36Å; F31-V46 HydrophobicContact CG-CG1 3.74Å; F31-V46 HydrophobicContact CZ-CG1 4.3Å
32E87.9Confident92.2Very high121 Ų12169.2 Ų69.257%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-134.7-177.8173-72.9-172.917000109.8G34 W35E32-G34 PolarHBondContact O-N 3.31Å; E32-W35 HydrophobicContact CB-CB 4.33Å; E32-W35 PolarHBondContact N-O 3.45Å; E32-W35 PolarHBondContact O-N 2.96Å; E32-W35 VanDerWaalsContact O-O 3.07Å
33E88.9Confident92.2Very high176 Ų17676.2 Ų76.282%0.82238%0.384SS*.THydrogen-bonded Turntrans-66126.5171.5-165.1-173.3156.400109.7W35E33-W35 PolarHBondContact O-N 3.25Å
34G91.2Very high92.1Very high23 Ų2380 Ų8024%0.23740%0.403CS..THydrogen-bonded Turntrans77-2.4-174.600000115.7E32 P48 D49E32-G34 PolarHBondContact O-N 3.31Å; G34-P48 CarbonylContact O-C 3.49Å; G34-P48 WeakPolarHBondContact O-CA 3.47Å; G34-D49 WeakPolarHBondContact CA-OD1 3.34Å; G34-D49 PolarHBondContact O-N 2.88Å; G34-D49 VanDerWaalsContact O-OD1 3.09Å
35W94.5Very high92.1Very high72 Ų7277 Ų7727%0.27339%0.388SS..EExtended strand (participates in β ladder)trans-129129.1-175.3-68.391.7000113.4E16 F31 E32 E33 V46 P48E16-W35 HydrophobicContact CG-CZ3 4.27Å; E16-W35 VanDerWaalsContact OE1-CH2 3.32Å; E16-W35 WeakPolarHBondContact OE1-CH2 3.49Å; F31-W35 PolarHBondContact N-O 3.5Å; E32-W35 HydrophobicContact CB-CB 4.33Å; E32-W35 PolarHBondContact N-O 3.45Å; E32-W35 PolarHBondContact O-N 2.96Å; E32-W35 VanDerWaalsContact O-O 3.07Å; E33-W35 PolarHBondContact O-N 3.25Å; W35-V46 HydrophobicContact CE3-CB 4.18Å; W35-V46 HydrophobicContact CE3-CG2 3.93Å; W35-V46 HydrophobicContact CZ3-CG2 4.12Å; W35-P48 HydrophobicContact CE3-CG 4.27Å; W35-P48 HydrophobicContact CH2-CG 3.99Å; W35-P48 HydrophobicContact CZ2-CG 4.45Å; W35-P48 HydrophobicContact CZ3-CG 3.88Å
36Y95.5Very high92.2Very high54 Ų5477.5 Ų77.521%0.21239%0.392CS..EExtended strand (participates in β ladder)trans-109.7141.5174.2-72.7-3.8000110.5V28 S29 Q30 V46 F47 D49 V52V28-Y36 HydrophobicContact CG1-CD2 3.66Å; V28-Y36 HydrophobicContact CG1-CE2 4.47Å; V28-Y36 HydrophobicContact CG1-CG 4.04Å; S29-Y36 CarbonylContact O-C 3.46Å; S29-Y36 WeakPolarHBondContact O-CA 3.4Å; Q30-Y36 HydrophobicContact CB-CD1 4.29Å; Q30-Y36 HydrophobicContact CB-CE1 4.35Å; Q30-Y36 HydrophobicContact CG-CD1 4.32Å; Q30-Y36 HydrophobicContact CG-CE1 4.32Å; Y36-V46 CarbonylContact O-C 3.58Å; Y36-V46 VanDerWaalsContact O-CA 3.25Å; Y36-V46 WeakPolarHBondContact O-CA 3.23Å; Y36-F47 HydrophobicContact CD2-CE2 4.16Å; Y36-F47 HydrophobicContact CD2-CZ 4.42Å; Y36-F47 HydrophobicContact CG-CE2 4.42Å; Y36-F47 PolarHBondContact N-O 2.89Å; Y36-F47 VanDerWaalsContact O-CD1 3.29Å; Y36-F47 WeakPolarHBondContact O-CD1 3.23Å; Y36-F47 WeakPolarHBondContact O-CE1 3.27Å; Y36-F47 PolarHBondContact O-N 3.35Å; Y36-D49 HydrophobicContact CD1-CB 3.75Å; Y36-D49 HydrophobicContact CD2-CB 3.97Å; Y36-D49 HydrophobicContact CE1-CB 3.62Å; Y36-D49 HydrophobicContact CE2-CB 3.86Å; Y36-D49 HydrophobicContact CG-CB 3.93Å; Y36-V52 HydrophobicContact CD2-CG2 4Å; Y36-V52 HydrophobicContact CE2-CG2 4.18Å
37I94.7Very high92.3Very high52 Ų5270.5 Ų70.527%0.26737%0.365SS..EExtended strand (participates in β ladder)trans-98.2141.7167.3-171.1168.1000109.6V28 S29 F31 I44 G45 V46V28-I37 CarbonylContact C-O 3.54Å; V28-I37 VanDerWaalsContact CA-O 3.29Å; V28-I37 WeakPolarHBondContact CA-O 3.22Å; S29-I37 PolarHBondContact N-O 2.92Å; S29-I37 PolarHBondContact O-N 3.37Å; F31-I37 HydrophobicContact CB-CB 4.06Å; F31-I37 HydrophobicContact CB-CG2 4.17Å; F31-I37 HydrophobicContact CD2-CB 4.34Å; F31-I37 HydrophobicContact CD2-CD1 4.4Å; F31-I37 HydrophobicContact CD2-CG2 4.48Å; F31-I37 HydrophobicContact CG-CB 4.49Å; I37-I44 HydrophobicContact CD1-CG2 4.07Å; I37-I44 HydrophobicContact CG1-CG2 4.04Å; I37-G45 WeakPolarHBondContact CA-O 3.08Å; I37-V46 HydrophobicContact CB-CG1 4.18Å; I37-V46 HydrophobicContact CG1-CG1 4.36Å
38G95.1Very high92.5Very high4 Ų465.6 Ų65.64%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-165.3-175.617800000113.4I44 G45G38-I44 VanDerWaalsContact O-CA 3.31Å; G38-I44 WeakPolarHBondContact O-CA 3.41Å; G38-G45 PolarHBondContact N-O 3.3Å; G38-G45 PolarHBondContact O-N 2.89Å; G38-G45 VanDerWaalsContact O-N 3.12Å
39C94.6Very high92.5Very high32 Ų3267.2 Ų67.222%0.21635%0.348CS..EExtended strand (participates in β ladder)trans-115.8121.5-179.9-175.20000111.6I25 R26 R43 I44I25-C39 WeakPolarHBondContact CG2-O 3.1Å; R26-C39 PolarHBondContact N-O 2.94Å; R26-C39 PolarHBondContact O-N 3.34Å; C39-R43 CarbonylContact C-O 3.47Å; C39-R43 VanDerWaalsContact CA-O 3.3Å; C39-R43 WeakPolarHBondContact CA-O 3.21Å; C39-I44 HydrophobicContact CB-CG1 4.3Å
40L93.8Very high92.7Very high11 Ų1171 Ų716%0.05837%0.365CS..EExtended strand (participates in β ladder)trans-128.8127.8173.3-179.660000109.8L17 I19 D23 I25 G42 R43L17-L40 HydrophobicContact CD1-CB 4Å; I19-L40 HydrophobicContact CB-CD2 4.37Å; I19-L40 HydrophobicContact CG2-CD2 3.84Å; D23-L40 HydrophobicContact CB-CD1 4.01Å; D23-L40 HydrophobicContact CB-CD2 4.21Å; I25-L40 HydrophobicContact CG1-CB 4.41Å; I25-L40 HydrophobicContact CG2-CB 4.38Å; L40-G42 PolarHBondContact O-N 2.92Å; L40-R43 PolarHBondContact N-O 2.9Å; L40-R43 PolarHBondContact O-N 3.28Å
41N90Very high93Very high147 Ų14769.4 Ų69.479%0.78636%0.356SS*.THydrogen-bonded Turntrans51.629178.2-62.3-38.5000114.7R43N41-R43 VanDerWaalsContact C-N 3.34Å
42G89.1Confident93.3Very high71 Ų7165.3 Ų65.373%0.73234%0.34SS*.THydrogen-bonded Turntrans83.11.4-178.800000115.2L40L40-G42 PolarHBondContact O-N 2.92Å
43R92.8Very high93.6Very high193 Ų19364.7 Ų64.773%0.72834%0.335SS*.EExtended strand (participates in β ladder)trans-93.5140.3165.5-65.5-172.5177.6-151.2-0.7109.7L17 C39 L40 N41L17-R43 HydrophobicContact CD2-CB 3.76Å; C39-R43 CarbonylContact C-O 3.47Å; C39-R43 VanDerWaalsContact CA-O 3.3Å; C39-R43 WeakPolarHBondContact CA-O 3.21Å; L40-R43 PolarHBondContact N-O 2.9Å; L40-R43 PolarHBondContact O-N 3.28Å; N41-R43 VanDerWaalsContact C-N 3.34Å
44I93.3Very high93.6Very high127 Ų12760.5 Ų60.565%0.65132%0.321SS*.EExtended strand (participates in β ladder)trans-102.8138.6168.1-59.8172.7000107.3I37 G38 C39I37-I44 HydrophobicContact CD1-CG2 4.07Å; I37-I44 HydrophobicContact CG1-CG2 4.04Å; G38-I44 VanDerWaalsContact O-CA 3.31Å; G38-I44 WeakPolarHBondContact O-CA 3.41Å; C39-I44 HydrophobicContact CB-CG1 4.3Å
45G94.6Very high93.4Very high5 Ų563.4 Ų63.45%0.05233%0.327CS..EExtended strand (participates in β ladder)trans-179.2176.5175.600000112.7D15 I37 G38D15-G45 CarbonylContact O-C 3.58Å; D15-G45 WeakPolarHBondContact O-CA 3.38Å; I37-G45 WeakPolarHBondContact CA-O 3.08Å; G38-G45 PolarHBondContact N-O 3.3Å; G38-G45 PolarHBondContact O-N 2.89Å; G38-G45 VanDerWaalsContact O-N 3.12Å
46V95.9Very high92.3Very high11 Ų1164.2 Ų64.27%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-92153.6-178.1-54.30000112.3D15 E16 L17 F31 W35 Y36 I37D15-V46 PolarHBondContact O-N 3.24Å; E16-V46 CarbonylContact C-O 3.58Å; E16-V46 VanDerWaalsContact CA-O 3.28Å; E16-V46 WeakPolarHBondContact CA-O 3.41Å; E16-V46 HydrophobicContact CB-CG2 4.48Å; E16-V46 HydrophobicContact CG-CG2 3.75Å; L17-V46 PolarHBondContact N-O 2.86Å; F31-V46 HydrophobicContact CB-CG1 4.27Å; F31-V46 HydrophobicContact CD1-CG1 3.67Å; F31-V46 HydrophobicContact CD2-CG1 4.1Å; F31-V46 HydrophobicContact CE1-CG1 3.96Å; F31-V46 HydrophobicContact CE2-CG1 4.36Å; F31-V46 HydrophobicContact CG-CG1 3.74Å; F31-V46 HydrophobicContact CZ-CG1 4.3Å; W35-V46 HydrophobicContact CE3-CB 4.18Å; W35-V46 HydrophobicContact CE3-CG2 3.93Å; W35-V46 HydrophobicContact CZ3-CG2 4.12Å; Y36-V46 CarbonylContact O-C 3.58Å; Y36-V46 VanDerWaalsContact O-CA 3.25Å; Y36-V46 WeakPolarHBondContact O-CA 3.23Å; I37-V46 HydrophobicContact CB-CG1 4.18Å; I37-V46 HydrophobicContact CG1-CG1 4.36Å
47F95.9Very high90.4Very high0 Ų066.7 Ų66.70%038%0.375CS..EExtended strand (participates in β ladder)trans-156155.517656.6-85.9000110.5V3 L17 I19 I25 V28 Y36 D49 V52V3-F47 HydrophobicContact CG2-CE2 4.46Å; V3-F47 HydrophobicContact CG2-CZ 4.41Å; L17-F47 HydrophobicContact CD1-CD1 4.06Å; L17-F47 HydrophobicContact CD1-CE1 4.47Å; I19-F47 HydrophobicContact CD1-CB 4.03Å; I19-F47 HydrophobicContact CD1-CD2 4.2Å; I19-F47 HydrophobicContact CD1-CG 4.34Å; I19-F47 HydrophobicContact CG2-CB 4.38Å; I25-F47 HydrophobicContact CB-CZ 4.41Å; I25-F47 HydrophobicContact CD1-CD1 3.9Å; I25-F47 HydrophobicContact CD1-CD2 3.94Å; I25-F47 HydrophobicContact CD1-CE1 3.69Å; I25-F47 HydrophobicContact CD1-CE2 3.73Å; I25-F47 HydrophobicContact CD1-CG 4.02Å; I25-F47 HydrophobicContact CD1-CZ 3.6Å; I25-F47 HydrophobicContact CG2-CE1 3.82Å; I25-F47 HydrophobicContact CG2-CZ 4.1Å; V28-F47 HydrophobicContact CG1-CZ 3.88Å; V28-F47 HydrophobicContact CG2-CE1 4.49Å; V28-F47 HydrophobicContact CG2-CZ 3.95Å; Y36-F47 HydrophobicContact CD2-CE2 4.16Å; Y36-F47 HydrophobicContact CD2-CZ 4.42Å; Y36-F47 HydrophobicContact CG-CE2 4.42Å; Y36-F47 PolarHBondContact N-O 2.89Å; Y36-F47 VanDerWaalsContact O-CD1 3.29Å; Y36-F47 WeakPolarHBondContact O-CD1 3.23Å; Y36-F47 WeakPolarHBondContact O-CE1 3.27Å; Y36-F47 PolarHBondContact O-N 3.35Å; F47-D49 PolarHBondContact O-N 3.47Å; F47-V52 HydrophobicContact CD2-CG1 3.77Å; F47-V52 HydrophobicContact CE2-CB 4.32Å; F47-V52 HydrophobicContact CE2-CG1 3.52Å; F47-V52 HydrophobicContact CE2-CG2 3.85Å
48P94.6Very high88.3Confident19 Ų1970.4 Ų70.412%0.12340%0.4CS..EExtended strand (participates in β ladder)trans-65.8133.8-179.5-22.734.5000112.7Y9 G34 W35 N50 F51Y9-P48 HydrophobicContact CD1-CG 4.49Å; Y9-P48 HydrophobicContact CD2-CG 4.3Å; Y9-P48 HydrophobicContact CE1-CG 4.38Å; Y9-P48 HydrophobicContact CE2-CG 4.2Å; Y9-P48 HydrophobicContact CG-CG 4.45Å; G34-P48 CarbonylContact O-C 3.49Å; G34-P48 WeakPolarHBondContact O-CA 3.47Å; W35-P48 HydrophobicContact CE3-CG 4.27Å; W35-P48 HydrophobicContact CH2-CG 3.99Å; W35-P48 HydrophobicContact CZ2-CG 4.45Å; W35-P48 HydrophobicContact CZ3-CG 3.88Å; P48-N50 PolarHBondContact O-N 3.3Å; P48-F51 HydrophobicContact CB-CD2 3.67Å; P48-F51 HydrophobicContact CB-CE2 4.19Å; P48-F51 HydrophobicContact CB-CG 4.33Å; P48-F51 HydrophobicContact CG-CD2 4.24Å; P48-F51 HydrophobicContact CG-CE2 4.49Å; P48-F51 PolarHBondContact O-N 3.3Å
49D94.2Very high85.8Confident39 Ų3977.7 Ų77.721%0.20943%0.432CS..G310 helixtrans-65-37.9-177.369.9-19.9000112.8G34 Y36 F47 F51 V52G34-D49 WeakPolarHBondContact CA-OD1 3.34Å; G34-D49 PolarHBondContact O-N 2.88Å; G34-D49 VanDerWaalsContact O-OD1 3.09Å; Y36-D49 HydrophobicContact CD1-CB 3.75Å; Y36-D49 HydrophobicContact CD2-CB 3.97Å; Y36-D49 HydrophobicContact CE1-CB 3.62Å; Y36-D49 HydrophobicContact CE2-CB 3.86Å; Y36-D49 HydrophobicContact CG-CB 3.93Å; F47-D49 PolarHBondContact O-N 3.47Å; D49-F51 PolarHBondContact O-N 3.49Å; D49-V52 VanDerWaalsContact O-CG2 3.25Å; D49-V52 WeakPolarHBondContact O-CG2 3.41Å; D49-V52 PolarHBondContact O-N 2.9Å
50N94.9Very high83.3Confident130 Ų13081 Ų8170%0.69546%0.456SS*.G310 helixtrans-63.1-12.9177.9-81.4-91.7000113.5P48P48-N50 PolarHBondContact O-N 3.3Å
51F94.5Very high80.7Confident66 Ų6689.5 Ų89.529%0.28949%0.493SS..G310 helixtrans-90.7-4.5177.6-77.3-119.4000112.6E6 Y7 D8 Y9 I19 P48 D49E6-F51 PolarHBondContact N-O 2.92Å; Y7-F51 PolarHBondContact N-O 3.15Å; D8-F51 WeakPolarHBondContact O-CE1 3.31Å; Y9-F51 HydrophobicContact CD2-CE1 4.49Å; I19-F51 HydrophobicContact CD1-CB 4.03Å; P48-F51 HydrophobicContact CB-CD2 3.67Å; P48-F51 HydrophobicContact CB-CE2 4.19Å; P48-F51 HydrophobicContact CB-CG 4.33Å; P48-F51 HydrophobicContact CG-CD2 4.24Å; P48-F51 HydrophobicContact CG-CE2 4.49Å; P48-F51 PolarHBondContact O-N 3.3Å; D49-F51 PolarHBondContact O-N 3.49Å
52V94.3Very high77.9Confident18 Ų1885.7 Ų85.711%0.10949%0.489CS..EExtended strand (participates in β ladder)trans-126.7161.3-177.8-54.80000113.6V3 I4 V5 I19 I25 Y36 F47 D49V3-V52 HydrophobicContact CB-CB 3.95Å; V3-V52 HydrophobicContact CB-CG2 3.99Å; V3-V52 HydrophobicContact CG1-CG2 4.18Å; V3-V52 HydrophobicContact CG2-CB 3.69Å; V3-V52 HydrophobicContact CG2-CG1 3.87Å; V3-V52 HydrophobicContact CG2-CG2 3.86Å; I4-V52 CarbonylContact O-C 3.58Å; I4-V52 WeakPolarHBondContact O-CA 2.93Å; V5-V52 HydrophobicContact CG2-CG1 4.03Å; I19-V52 HydrophobicContact CD1-CG1 4.28Å; I25-V52 HydrophobicContact CD1-CG1 4.17Å; Y36-V52 HydrophobicContact CD2-CG2 4Å; Y36-V52 HydrophobicContact CE2-CG2 4.18Å; F47-V52 HydrophobicContact CD2-CG1 3.77Å; F47-V52 HydrophobicContact CE2-CB 4.32Å; F47-V52 HydrophobicContact CE2-CG1 3.52Å; F47-V52 HydrophobicContact CE2-CG2 3.85Å; D49-V52 VanDerWaalsContact O-CG2 3.25Å; D49-V52 WeakPolarHBondContact O-CG2 3.41Å; D49-V52 PolarHBondContact O-N 2.9Å
53K92.5Very high75.4Confident109 Ų10987.5 Ų87.547%0.47449%0.49SS..EExtended strand (participates in β ladder)trans-127.4130.9178-161.1-173.7-134.988.80109.6V3 I4 E6 K55V3-K53 CarbonylContact C-O 3.59Å; V3-K53 WeakPolarHBondContact CA-O 3.38Å; V3-K53 WeakPolarHBondContact CB-O 3.48Å; I4-K53 HydrophobicContact CG2-CB 4.07Å; I4-K53 PolarHBondContact N-O 3.44Å; I4-K53 PolarHBondContact O-N 2.75Å; E6-K53 IonicContact OE1-NZ 2.59Å; E6-K53 PolarHBondContact OE1-NZ 3.41Å; E6-K53 IonicContact OE2-NZ 2.67Å; E6-K53 PolarHBondContact OE2-NZ 3.01Å; K53-K55 PolarHBondContact O-N 3.29Å
54V90.5Very high72.5Confident87 Ų8784.6 Ų84.653%0.52749%0.494SS..EExtended strand (participates in β ladder)trans-60.6121.2178.4-177.50000110.1M1 A56M1-V54 HydrophobicContact CE-CG1 4.41Å; M1-V54 HydrophobicContact CE-CG2 4.44Å; M1-V54 HydrophobicContact CG-CG1 4.23Å; M1-V54 HydrophobicContact SD-CB 4.24Å; M1-V54 HydrophobicContact SD-CG1 3.7Å; M1-V54 HydrophobicContact SD-CG2 3.66Å; V54-A56 PolarHBondContact O-N 2.89Å
55K85.3Confident70Confident84 Ų8486.3 Ų86.337%0.36550%0.503SS..  trans-82100.9-179.3-178.3-176.8164.7-158.40108.7E2 I24 K53 S57E2-K55 HydrophobicContact CB-CB 4.33Å; E2-K55 HydrophobicContact CB-CD 4.34Å; E2-K55 PolarHBondContact O-N 3.43Å; E2-K55 VanDerWaalsContact O-N 3.08Å; E2-K55 WeakPolarHBondContact OE2-CD 3.4Å; E2-K55 WeakPolarHBondContact OE2-CE 3.48Å; E2-K55 IonicContact OE2-NZ 2.67Å; E2-K55 PolarHBondContact OE2-NZ 3.42Å; I24-K55 HydrophobicContact CG2-CD 4.35Å; K53-K55 PolarHBondContact O-N 3.29Å; K55-S57 PolarHBondContact O-N 3.01Å
56A72.9Confident67.3Low89 Ų8991.9 Ų91.974%0.73654%0.536SS*.  trans-60102.3-179.800000111.4V54 V58V54-A56 PolarHBondContact O-N 2.89Å; A56-V58 PolarHBondContact O-N 3.45Å; A56-V58 VanDerWaalsContact O-N 3.12Å
57S55.4Low65.1Low107 Ų10797.3 Ų97.375%0.74857%0.569SS**  trans-71.9104.9177.6-178.90000110.1K55 Q59K55-S57 PolarHBondContact O-N 3.01Å; S57-Q59 PolarHBondContact O-N 2.87Å
58V50.3Low62.2Low130 Ų130102.9 Ų102.979%0.78861%0.605SS**  trans-65.8100.1173.8-179.90000109.1A56 S60A56-V58 PolarHBondContact O-N 3.45Å; A56-V58 VanDerWaalsContact O-N 3.12Å; V58-S60 PolarHBondContact O-N 3.38Å
59Q42.5Very low59.9Low156 Ų156111.1 Ų111.173%0.72964%0.642SS**  trans-65.799166.1-68.1-176.2600108.6S57 K61S57-Q59 PolarHBondContact O-N 2.87Å; Q59-K61 PolarHBondContact O-N 3.29Å
60S41.4Very low57.5Low103 Ų103117.3 Ų117.372%0.7267%0.673SS**  trans-69.578.517757.60000111V58 G62V58-S60 PolarHBondContact O-N 3.38Å; S60-G62 PolarHBondContact O-N 3.05Å; S60-G62 VanDerWaalsContact O-N 3.14Å
61K39.3Very low54.8Low188 Ų188114.9 Ų114.982%0.81768%0.678SS**  trans-67.4106171.6-68.4-179.2179.7178.50109.1Q59Q59-K61 PolarHBondContact O-N 3.29Å
62G32.5Very low52Low68 Ų68117.1 Ų117.170%0.70170%0.702SS**  trans120.292173.400000113.5S60S60-G62 PolarHBondContact O-N 3.05Å; S60-G62 VanDerWaalsContact O-N 3.14Å
63S35.5Very low49.5Very low108 Ų108123.9 Ų123.976%0.75573%0.73SS**  trans-147.592154.5-780000107.7I65S63-I65 PolarHBondContact O-N 2.97Å; S63-I65 VanDerWaalsContact O-N 3.11Å
64T31.5Very low46.8Very low132 Ų132125.5 Ų125.581%0.8174%0.74SS**  trans-67.4101.5171.940.80000109T66T64-T66 PolarHBondContact O-N 3.35Å; T64-T66 VanDerWaalsContact O-N 3.13Å
65I42Very low44.2Very low164 Ų164126.7 Ų126.784%0.84175%0.747SS**  trans-77.394.4168.8-58.4176.9000107.6S63S63-I65 PolarHBondContact O-N 2.97Å; S63-I65 VanDerWaalsContact O-N 3.11Å
66T37.6Very low41.7Very low122 Ų122128.8 Ų128.875%0.74876%0.762SS**PPolyproline II helixtrans-91.8137.6163.4-44.60000108.3T64T64-T66 PolarHBondContact O-N 3.35Å; T64-T66 VanDerWaalsContact O-N 3.13Å
67V49.5Very low40.2Very low125 Ų125130.8 Ų130.876%0.75876%0.761SS**PPolyproline II helixtrans-66.5138.9-173.2-179.90000110.9
68P36Very low39.4Very low117 Ų117132 Ų13276%0.7676%0.759SS**PPolyproline II helixtrans-77.7132177.131.1-34.6000111.7
69E45Very low39.2Very low192 Ų192133.3 Ų133.390%0.89776%0.761SS**  trans-123.4138.8166.8-170.8162.1-166.100110
70I45Very low39.1Very low169 Ų169131.4 Ų131.487%0.86776%0.761SS**  trans-112.6110.6-171.9-61.7170.7000108
71G37.4Very low39Very low78 Ų78133.1 Ų133.180%0.80476%0.761SS**  trans-160.393.1-178.300000112.8
72S35.7Very low38.8Very low113 Ų113131.2 Ų131.279%0.7976%0.76SS**  trans-82.6128.1176.255.30000112.3
73K40.9Very low39Very low160 Ų160136.2 Ų136.270%0.69677%0.767SS**  trans-179.5132.2139.7-99.4170.8179.1-79.30109.2
74E37.5Very low39.2Very low144 Ų144136.7 Ų136.767%0.67377%0.771SS**  56.6123.485.4-62.2170.5-166.100112.9
75T34.5Very low39.4Very low112 Ų112137.3 Ų137.369%0.68777%0.769SS**  cis-168.1153.4-9.65.10000109.4
76N34.2Very low39.7Very low128 Ų128134.9 Ų134.968%0.68477%0.767SS**  trans66.3161151.5-59.2-0.2000120.8
77D40.2Very low39.9Very low131 Ų131135.5 Ų135.570%0.70177%0.766SS**  trans64.4136.5155.5-52.5-31.6000119.2
78N39.6Very low39.7Very low132 Ų132140.2 Ų140.271%0.70677%0.771SS**  cis-161-172.7-18.5-112.7-33.1000110.1
79D45.2Very low39.9Very low158 Ų158143.4 Ų143.485%0.84578%0.776SS**  trans94.9122.6161.9-60.7-20.3000119
80T41.5Very low39.4Very low116 Ų116141.2 Ų141.271%0.71277%0.771SS**  trans-120.1168.5-175.144.50000110.1
81N38.6Very low39.1Very low138 Ų138137 Ų13774%0.73876%0.756SS**  trans101156.4156.5-49.5-55.3000119.1
82N35.5Very low39.1Very low148 Ų148140.2 Ų140.279%0.79175%0.754SS**  trans66.5116.4172.5-58.2-14.3000115.4
83M35.8Very low39.2Very low173 Ų173140.9 Ų140.985%0.85275%0.748SS**  cis63.295.213.2-166.8179.7-179.900115.1
84S39Very low39.1Very low118 Ų118140.4 Ų140.483%0.82575%0.753SS**  trans-166.2154.7154.7-82.80000110.7
85N37.8Very low38.7Very low146 Ų146140.7 Ų140.778%0.78176%0.759SS**  trans-95.8165.2-171.1-48.8-24000112.8
86S48.4Very low38.9Very low112 Ų112142.3 Ų142.378%0.78376%0.764SS**  -165.7138.7117.460.40000112.4
87D40.5Very low38.8Very low136 Ų136142.8 Ų142.873%0.72777%0.766SS**  trans-74.9179.7-174.9-48.3-94.3000115
88Y44.9Very low38.2Very low223 Ų223141.6 Ų141.688%0.87576%0.764SS**  trans140.6129.1157.7-71.3-52000108.8
89E41.6Very low37.8Very low185 Ų185141.5 Ų141.586%0.86476%0.763SS**  cis-151.5172.4-1.1-162.8171.1-140.200109.3
90N33.6Very low37.1Very low146 Ų146140 Ų14078%0.78176%0.755SS**  trans-140160.6-171.3-175.627.7000114.1
91S39.8Very low36.6Very low79 Ų79140 Ų14055%0.55275%0.751SS**  trans81.1115.2159.574.40000119.9
92N36.1Very low36.5Very low146 Ų146142 Ų14278%0.78176%0.756SS**  -173111.4116.2-90.8-53.1000107.5
93I38.5Very low36.5Very low128 Ų128139.8 Ų139.866%0.65675%0.752SS**  64.996.972-58.3171.3000112.5
94N39.2Very low36.5Very low149 Ų149136.4 Ų136.480%0.79775%0.745SS**  -167145.2108.2-111.6-44.3000114
95N29.1Very low36.5Very low150 Ų150136.7 Ų136.780%0.80275%0.748SS**  trans-107138.2165.7-94.2-26.8000108.8
96N37Very low36.3Very low147 Ų147134.1 Ų134.179%0.78675%0.747SS**  trans173150.8159.5-94.6-39.6000109.3
97N32.2Very low35.9Very low138 Ų138135.1 Ų135.174%0.73875%0.748SS**  cis-157.4170.3-28.7-151.2-37.6000108.2
98T29.1Very low36Very low105 Ų105137.2 Ų137.264%0.64475%0.75SS**  trans-72.1160.4-168.6-25.10000115.5
99N31.3Very low35.6Very low131 Ų131132.8 Ų132.870%0.70175%0.749SS**  trans107.3125.5143.8-68.4-31.4000122.4
100N30.2Very low35.9Very low125 Ų125133.5 Ų133.567%0.66875%0.749SS**  trans90.4106.5132.2-68.9-4.2000124.1
101N30.2Very low36.1Very low118 Ų118132 Ų13263%0.63175%0.748SS**  92.9121.3117.2-70.5-14.9000123.3
102Q36.2Very low35.8Very low179 Ų179134.8 Ų134.884%0.83676%0.761SS**  trans67.1142.1134.5-61.3172.3-3.600117.9
103S36.1Very low35.9Very low101 Ų101133.1 Ų133.171%0.70676%0.76SS**  cis-160.516216.6-167.80000112.6
104S35.1Very low35.6Very low102 Ų102130.5 Ų130.571%0.71376%0.764SS**  trans41.6136.8147.664.10000121.3
105S39.3Very low35.7Very low125 Ų125131.2 Ų131.287%0.87477%0.766SS**  -167.3177.950.353.30000112.6
106A34.1Very low36Very low92 Ų92127.2 Ų127.276%0.7676%0.76SS**  trans-123165.5-162.500000115.4
107T39.4Very low36.4Very low132 Ų132128.9 Ų128.981%0.8177%0.768SS**  trans-151.499.4155.2-71.40000113.6
108K43.4Very low36.7Very low180 Ų180125.4 Ų125.478%0.78377%0.765SS**  trans33.9122.8135.9-52.8179.6-174.8-179.30121.5
109P35.6Very low37.3Very low130 Ų130128.9 Ų128.984%0.84478%0.779SS**  trans-75163.1136.533.8-32.8000111.3
110K49.1Very low38.4Very low200 Ų200128.9 Ų128.987%0.8778%0.778SS**  trans-112.2150.8-179.5-69.1179.8-179.51760112.1
111P38Very low39.1Very low116 Ų116132.4 Ų132.475%0.75379%0.788SS**  trans-102.9176.8-177.541.3-37.2000114.4
112V33.3Very low39.5Very low136 Ų136132.7 Ų132.782%0.82480%0.799SS**  trans70.9109.3164.7-171.20000117.3
113C36.8Very low39.6Very low112 Ų112127.3 Ų127.376%0.75779%0.792SS**  -169.2147.297.3-161.70000110.4
114G32.1Very low40.2Very low73 Ų73131.2 Ų131.275%0.75380%0.799SS**  trans-12513217600000111.5
115I42.9Very low40.7Very low164 Ų164131.7 Ų131.784%0.84180%0.799SS**  trans-135.4128.1168.1-60.3103.9000106.4
116G34.6Very low41.2Very low65 Ų65133.6 Ų133.667%0.6780%0.798SS**  cis159.4108.7-9.400000112.3
117L45.5Very low41.5Very low182 Ų182136.5 Ų136.595%0.95380%0.796SS**  trans-141.5124.9171.4-73177.6000110.8
118G39.4Very low41.8Very low65 Ų65138.6 Ų138.667%0.6780%0.801SS**  trans73.874.1153.700000119.3I120G118-I120 PolarHBondContact O-N 3.26Å
119N40.1Very low42.1Very low178 Ų178139.1 Ų139.195%0.95280%0.804SS**  trans-67.9116152-88.6-10.1000109.2
120I55.3Low42.3Very low132 Ų132142 Ų14268%0.67781%0.806SS**  trans-116.2-25.9176.4-61.2179.5000112.5G118 S122G118-I120 PolarHBondContact O-N 3.26Å; I120-S122 PolarHBondContact O-N 3.1Å
121F45Very low42Very low198 Ų198138.8 Ų138.887%0.86880%0.803SS**  trans-103.977.3-176.8-65.4-70.6000113G123F121-G123 PolarHBondContact O-N 3.46Å
122S39.3Very low42.1Very low124 Ų124137.9 Ų137.987%0.86781%0.806SS**  trans-72.486.9171.8570000112I120I120-S122 PolarHBondContact O-N 3.1Å
123G38Very low42.2Very low66 Ų66139.6 Ų139.668%0.6881%0.809SS**SBendtrans95.385.1155.400000117.7F121F121-G123 PolarHBondContact O-N 3.46Å
124Q49Very low42.3Very low183 Ų183142.3 Ų142.386%0.85581%0.808SS**  -169.9137.5127.8-105.3172.429.100110.8I126Q124-I126 PolarHBondContact O-N 2.97Å
125P43.9Very low42.6Very low112 Ų112145.8 Ų145.873%0.72781%0.805SS**  trans-86.2106.3178.932.6-31.9000111.6Q127P125-Q127 PolarHBondContact O-N 2.96Å
126I51.4Low42.7Very low166 Ų166143.7 Ų143.785%0.85180%0.799SS**  trans-75.6120.3173-59177.7000109.1Q124Q124-I126 PolarHBondContact O-N 2.97Å
127Q40.1Very low43Very low153 Ų153146 Ų14672%0.71580%0.8SS**  trans-103135.1176.5-59.1177.81700110.5P125P125-Q127 PolarHBondContact O-N 2.96Å
128L44.5Very low42.4Very low175 Ų175144.4 Ų144.492%0.91679%0.792SS**  trans-126.5136.4160.5-132.772.7000109.1
129K50.8Low42.5Very low191 Ų191149.5 Ų149.583%0.8380%0.796SS**  trans-91.5143.8-163.9-67.8-178.7177.8178.40113
130Q39.2Very low42.4Very low192 Ų192147 Ų14790%0.89778%0.779SS**  trans-113.8118.3173.5-174.1-179.42100110.6
131T42Very low41.6Very low132 Ų132147 Ų14781%0.8178%0.78SS**  trans-160135.2172.635.30000108.6
132A41.7Very low41.1Very low97 Ų97143.8 Ų143.880%0.80278%0.777SS**  cis-156.4165-15.800000108.5
133L34.6Very low40.8Very low171 Ų171143.8 Ų143.890%0.89578%0.776SS**  trans-99.7177.8173.1-80.2171.8000111.5
134K39.6Very low40.8Very low169 Ų169146.9 Ų146.974%0.73578%0.782SS**  trans78.2143.5169.7-90.6168.7169-94.20115.1
135E38.4Very low40.2Very low146 Ų146143.4 Ų143.468%0.68278%0.775SS**  cis-162.8-175.83.2-162.7141.6-135.700111.4
136V44.7Very low39.6Very low120 Ų120147 Ų14773%0.72778%0.782SS**  trans83.699.8159.1-1730000120.5
137V40.7Very low38.6Very low115 Ų115151.3 Ų151.370%0.69779%0.788SS**  52.7106.8126.8-174.70000121.3
138N32.7Very low38.1Very low147 Ų147148.3 Ų148.379%0.78679%0.789SS**  trans52.2143.5134.8-52.4-12.2000123.6
139K40.7Very low37.5Very low173 Ų173147.5 Ų147.575%0.75278%0.784SS**  113.7152.2121.9-138.3171174.5-109.10117.7
140E40.1Very low36.4Very low124 Ų124141.5 Ų141.558%0.57978%0.777SS**  trans8192.9163.4-41.7-71.8152.200119.9
141N36.6Very low36Very low132 Ų132139.8 Ų139.871%0.70677%0.774SS**  77.690.5128.5-48.4-30.9000123.5
142V34.7Very low35.5Very low132 Ų132139.2 Ų139.280%0.878%0.775SS**  39.1112.7125.6-1740000120.3
143S34.3Very low35.2Very low123 Ų123144.1 Ų144.186%0.8678%0.778SS**  trans-160.9169.4133.7-84.30000111.4
144V37.3Very low35.1Very low131 Ų131143.3 Ų143.379%0.79477%0.773SS**  trans-128.5158.9-159.3173.20000109.6
145P36.2Very low34.8Very low110 Ų110141.6 Ų141.671%0.71477%0.772SS**  cis-125.8158.9-1433.3-17.2000115.1
146E32.1Very low34.4Very low188 Ų188142 Ų14288%0.87978%0.779SS**  trans-170156.2130.4-113.5179.5146.700111.5
147R29.9Very low33.7Very low256 Ų256142 Ų14297%0.96678%0.775SS**  trans-116.380.4179.5-80.3-174.9174156.7-1.6111.3
148A30.3Very low33.5Very low90 Ų90142 Ų14274%0.74478%0.775SS**  trans-135.170.4178.100000112
149I30.1Very low33.5Very low158 Ų158138.4 Ų138.481%0.8177%0.766SS**  trans-136.2124.5161.9-53.7178.3000106.4
150G29Very low33.3Very low66 Ų66135.4 Ų135.468%0.6877%0.766SS**  cis116.917.812.300000113.7S152G150-S152 PolarHBondContact O-N 3.33Å
151N30.6Very low33.5Very low155 Ų155133.3 Ų133.383%0.82976%0.759SS**  trans-86.278.3176.7-75.54.1000110.9K153N151-K153 PolarHBondContact O-N 3.43Å
152S31.6Very low34Very low121 Ų121131.5 Ų131.585%0.84674%0.743SS**  trans-62.2113.5170.1-55.50000110.4G150G150-S152 PolarHBondContact O-N 3.33Å
153K34.5Very low34.9Very low199 Ų199130.5 Ų130.587%0.86574%0.739SS**  trans-125.4108.7162.4-157.1-170.6-179.4-154.60108.7N151 L155N151-K153 PolarHBondContact O-N 3.43Å; K153-L155 PolarHBondContact O-N 2.98Å
154I33.2Very low36.1Very low154 Ų154126.3 Ų126.379%0.7971%0.709SS**  trans-56.6116.2175.9-63.3163.7000106.8
155L32.3Very low38.3Very low134 Ų134125.2 Ų125.270%0.70270%0.698SS**  78.3100.863.8-163171.7000109.9K153 D157K153-L155 PolarHBondContact O-N 2.98Å; L155-D157 VanDerWaalsContact CD2-OD2 3.31Å; L155-D157 WeakPolarHBondContact CD2-OD2 3.5Å
156D30.8Very low40.9Very low154 Ų154123.8 Ų123.882%0.82468%0.682SS**  trans-166.6110176.6-144.45.3000108
157D29.9Very low43.9Very low121 Ų121114.9 Ų114.965%0.64764%0.641SS**  trans-121.775.1-154-69.2-65.8000114.6L155L155-D157 VanDerWaalsContact CD2-OD2 3.31Å; L155-D157 WeakPolarHBondContact CD2-OD2 3.5Å
158T36.1Very low47Very low115 Ų115106.2 Ų106.271%0.70661%0.608SS**  trans-148.330.7178.740.60000116.2
159A33.5Very low50Low71 Ų71102 Ų10259%0.58757%0.572SS**  trans-148.799.6-177.100000117.9
160S36.6Very low53Low109 Ų109100.5 Ų100.576%0.76256%0.557SS**  trans176.280.1137.544.90000117.5
161N43.8Very low56Low80 Ų80104 Ų10443%0.42855%0.551SS.*  trans-143.246.8156.9-159.48.6000115.3
162Y47.2Very low59.1Low94 Ų94102.1 Ų102.137%0.36954%0.537SS..  trans-135.578.5175.7-53.9-63.1000111.3T164 R194 W202 P222Y162-T164 PolarHBondContact O-N 2.87Å; Y162-R194 VanDerWaalsContact CB-CZ 3.46Å; Y162-R194 VanDerWaalsContact CB-NH2 3.31Å; Y162-R194 PolarHBondContact O-NH1 3.44Å; Y162-R194 VanDerWaalsContact O-NH1 3.12Å; Y162-R194 PolarHBondContact O-NH2 2.93Å; Y162-W202 HydrophobicContact CD1-CH2 4.28Å; Y162-W202 AromaticContact CD2-CH2 3.91Å; Y162-W202 HydrophobicContact CD2-CH2 3.91Å; Y162-W202 AromaticContact CD2-CZ2 3.9Å; Y162-W202 HydrophobicContact CD2-CZ2 3.9Å; Y162-W202 AromaticContact CE1-CH2 3.91Å; Y162-W202 HydrophobicContact CE1-CH2 3.91Å; Y162-W202 HydrophobicContact CE1-CZ2 4.46Å; Y162-W202 AromaticContact CE2-CH2 3.52Å; Y162-W202 HydrophobicContact CE2-CH2 3.52Å; Y162-W202 AromaticContact CE2-CZ2 3.3Å; Y162-W202 HydrophobicContact CE2-CZ2 3.3Å; Y162-W202 HydrophobicContact CG-CH2 4.27Å; Y162-W202 AromaticContact CZ-CH2 3.5Å; Y162-W202 AromaticContact CZ-CZ2 3.62Å; Y162-P222 HydrophobicContact CD1-CG 3.91Å; Y162-P222 HydrophobicContact CE1-CG 4.28Å
163P53.1Low62.1Low111 Ų11197 Ų9772%0.72150%0.499SS*.  trans-71.9-6.9-178.130.3-36000114.1
164T59.4Low64.8Low36 Ų3693.5 Ų93.522%0.22149%0.488CS..  trans-98.6125175.2-390000110.4Y162 Q166 R194 I223Y162-T164 PolarHBondContact O-N 2.87Å; T164-Q166 WeakPolarHBondContact CB-O 3.28Å; T164-Q166 HydrophobicContact CG2-CB 4.14Å; T164-Q166 VanDerWaalsContact CG2-O 3.25Å; T164-Q166 WeakPolarHBondContact CG2-O 3.42Å; T164-Q166 PolarHBondContact O-N 3.47Å; T164-Q166 VanDerWaalsContact O-N 3.16Å; T164-R194 PolarHBondContact O-NH2 3Å; T164-R194 VanDerWaalsContact O-NH2 3.13Å; T164-I223 WeakPolarHBondContact CG2-O 3.46Å; T164-I223 PolarHBondContact OG1-O 2.79Å
165N84Confident67.6Low107 Ų10788.4 Ų88.457%0.57247%0.465SS*.SBendtrans-77.112.5171.1-68.13.6000112.8Q190 V191N165-Q190 CarbonylContact O-C 3.46Å; N165-Q190 WeakPolarHBondContact O-CA 3.42Å; N165-V191 PolarHBondContact O-N 3.25Å
166Q90.6Very high70.3Confident81 Ų8190.1 Ų90.138%0.37947%0.467SS..EExtended strand (participates in β ladder)trans-134.2134.4177.2-65.2-177.6-1400109T164 I188 I189 I223T164-Q166 WeakPolarHBondContact CB-O 3.28Å; T164-Q166 HydrophobicContact CG2-CB 4.14Å; T164-Q166 VanDerWaalsContact CG2-O 3.25Å; T164-Q166 WeakPolarHBondContact CG2-O 3.42Å; T164-Q166 PolarHBondContact O-N 3.47Å; T164-Q166 VanDerWaalsContact O-N 3.16Å; Q166-I188 HydrophobicContact CB-CG2 4.39Å; Q166-I189 WeakPolarHBondContact CA-O 3.27Å; Q166-I223 HydrophobicContact CB-CD1 3.95Å; Q166-I223 PolarHBondContact O-N 3.09Å
167V94.4Very high73Confident1 Ų188.5 Ų88.51%0.00646%0.455CS..EExtended strand (participates in β ladder)trans-132.2152.5179.9-62.20000108.9I189 V191 W202 V220 A221 I223V167-I189 HydrophobicContact CG2-CB 3.94Å; V167-I189 PolarHBondContact N-O 3.48Å; V167-I189 PolarHBondContact O-N 3.02Å; V167-V191 HydrophobicContact CB-CG2 4.35Å; V167-V191 HydrophobicContact CG1-CG2 3.81Å; V167-V191 HydrophobicContact CG2-CG2 3.6Å; V167-W202 HydrophobicContact CG1-CZ3 4.27Å; V167-V220 HydrophobicContact CB-CB 3.98Å; V167-V220 HydrophobicContact CB-CG2 4.1Å; V167-V220 HydrophobicContact CG2-CB 3.72Å; V167-V220 HydrophobicContact CG2-CG1 3.95Å; V167-V220 HydrophobicContact CG2-CG2 3.75Å; V167-A221 CarbonylContact C-O 3.59Å; V167-A221 VanDerWaalsContact CA-O 3.27Å; V167-A221 WeakPolarHBondContact CA-O 3.49Å; V167-A221 WeakPolarHBondContact CB-O 3.33Å; V167-I223 VanDerWaalsContact C-CD1 3.47Å
168R95.4Very high75.7Confident74 Ų7488.3 Ų88.328%0.27947%0.47SS..EExtended strand (participates in β ladder)trans-109.6127.6-178.9-175.3174.772.5-173.9-2.5109.9R170 D186 D187 I188 V220 A221 I223R168-R170 PolarHBondContact O-N 3Å; R168-D186 WeakPolarHBondContact CD-OD1 3.49Å; R168-D186 HydrophobicContact CG-CB 4.39Å; R168-D186 IonicContact CZ-OD1 3.31Å; R168-D186 IonicContact NE-OD1 3.93Å; R168-D186 PolarHBondContact NE-OD1 3.2Å; R168-D186 VanDerWaalsContact NE-OD1 3.14Å; R168-D186 IonicContact NH1-OD1 3.94Å; R168-D187 CarbonylContact C-O 3.37Å; R168-D187 WeakPolarHBondContact CA-O 3.39Å; R168-I188 HydrophobicContact CB-CD1 4.26Å; R168-I188 HydrophobicContact CG-CD1 4.1Å; R168-V220 CarbonylContact O-C 3.58Å; R168-V220 WeakPolarHBondContact O-CA 3.44Å; R168-A221 PolarHBondContact N-O 2.86Å; R168-A221 PolarHBondContact O-N 2.93Å; R168-I223 HydrophobicContact CB-CD1 4.04Å; R168-I223 HydrophobicContact CB-CG1 3.73Å
169A94.7Very high78.3Confident0 Ų086.9 Ų86.90%046%0.458CS..EExtended strand (participates in β ladder)trans-62.8123.5174.800000110.8L183 H184 D186 D187 F219 V220A169-L183 HydrophobicContact CB-CB 4.14Å; A169-L183 HydrophobicContact CB-CD1 4.45Å; A169-H184 WeakPolarHBondContact CB-O 3.49Å; A169-D186 WeakPolarHBondContact O-CA 3.47Å; A169-D186 PolarHBondContact O-N 3.17Å; A169-D187 HydrophobicContact CB-CB 4.13Å; A169-D187 PolarHBondContact N-O 3.15Å; A169-F219 CarbonylContact C-O 3.58Å; A169-F219 WeakPolarHBondContact CA-O 3.02Å; A169-V220 HydrophobicContact CB-CG1 4.42Å
170R91.6Very high81.2Confident128 Ų12884.2 Ų84.248%0.48343%0.433SS..SBendtrans-86.4-23.8172.5-74.2-169170.5-158.1-3.4112.1R168 F219 A221 E229R168-R170 PolarHBondContact O-N 3Å; R170-F219 PolarHBondContact N-O 3.01Å; R170-A221 HydrophobicContact CG-CB 3.95Å; R170-A221 VanDerWaalsContact NE-CB 3.27Å; R170-E229 IonicContact NH2-OE1 2.73Å
171Y93.5Very high83.9Confident140 Ų14079.1 Ų79.155%0.54940%0.397SS..SBendtrans-134.6153.3-177.1-54.2-61.4000111F219Y171-F219 PolarHBondContact N-O 3.29Å
172E94.2Very high86.3Confident114 Ų11478.6 Ų78.653%0.53339%0.392SS..  trans-73.2138.5172.1-171.5175.6-178.100110.3L183 I185 F219E172-L183 WeakPolarHBondContact CA-O 3.37Å; E172-L183 WeakPolarHBondContact CG-O 3.26Å; E172-I185 HydrophobicContact CB-CG1 4.48Å; E172-F219 WeakPolarHBondContact O-CE1 3.44Å
173Y94.5Very high88.5Confident15 Ų1574.1 Ų74.16%0.05938%0.375CS..BIsolated β-bridgetrans-133123.4178.6-173.2-95.4000110.6E180 E182 L183 W201 P216 F219Y173-E180 HydrophobicContact CE1-CB 4.47Å; Y173-E180 WeakPolarHBondContact CE1-OE2 3.38Å; Y173-E180 PolarHBondContact OH-OE2 3.2Å; Y173-E182 WeakPolarHBondContact O-CA 3.18Å; Y173-L183 PolarHBondContact N-O 3.03Å; Y173-L183 PolarHBondContact O-N 2.9Å; Y173-W201 WeakPolarHBondContact OH-CH2 3.43Å; Y173-P216 HydrophobicContact CD2-CG 4.05Å; Y173-P216 HydrophobicContact CE2-CG 3.66Å; Y173-F219 AromaticContact CD2-CD1 3.94Å; Y173-F219 HydrophobicContact CD2-CD1 3.94Å; Y173-F219 AromaticContact CD2-CE1 3.74Å; Y173-F219 HydrophobicContact CD2-CE1 3.74Å; Y173-F219 HydrophobicContact CD2-CE2 4.36Å; Y173-F219 HydrophobicContact CD2-CG 4.35Å; Y173-F219 AromaticContact CD2-CZ 3.97Å; Y173-F219 HydrophobicContact CD2-CZ 3.97Å; Y173-F219 HydrophobicContact CG-CD1 4.36Å; Y173-F219 HydrophobicContact CG-CE1 4.49Å
174I92.6Very high90.4Very high124 Ų12471.6 Ų71.664%0.63635%0.353SS*.  trans-97.2121.2177.7-57.4174.2000108
175P92Very high91.9Very high48 Ų4875 Ų7531%0.31237%0.369SS..  trans-69.3134.3-177.729-34.4000111.5E180 E182P175-E180 HydrophobicContact CB-CB 3.55Å; P175-E182 HydrophobicContact CG-CB 4.19Å
176K88.4Confident92.3Very high170 Ų17073.8 Ų73.874%0.73936%0.363SS*.SBendtrans-94.6-28.5177.7-57.3166.9-172.2162.40112.1E180K176-E180 PolarHBondContact N-OE2 3.01Å
177Q88.3Confident92.5Very high120 Ų12070.6 Ų70.656%0.56135%0.348SS*.SBendtrans-119.5163.5-179.5-61.8174.696.600111D179 E180Q177-D179 VanDerWaalsContact C-N 3.25Å; Q177-D179 VanDerWaalsContact CB-OD1 3.24Å; Q177-D179 WeakPolarHBondContact CB-OD1 3.22Å; Q177-D179 PolarHBondContact O-N 3.11Å; Q177-E180 HydrophobicContact CB-CG 4.1Å; Q177-E180 WeakPolarHBondContact CB-OE1 3.41Å; Q177-E180 WeakPolarHBondContact CG-OE1 3.42Å; Q177-E180 PolarHBondContact N-OE1 2.77Å; Q177-E180 PolarHBondContact NE2-OE1 3.31Å; Q177-E180 PolarHBondContact O-N 3.13Å
178A86.9Confident92.4Very high117 Ų11773.4 Ų73.497%0.96736%0.362SS*.THydrogen-bonded Turntrans-76.4-10.8-171.400000114.4
179D89.8Confident92.4Very high84 Ų8469.9 Ų69.945%0.44935%0.349SS..THydrogen-bonded Turntrans-102-8.3174.159.8-36.8000113Q177 G213 I214Q177-D179 VanDerWaalsContact C-N 3.25Å; Q177-D179 VanDerWaalsContact CB-OD1 3.24Å; Q177-D179 WeakPolarHBondContact CB-OD1 3.22Å; Q177-D179 PolarHBondContact O-N 3.11Å; D179-G213 CarbonylContact O-C 3.39Å; D179-G213 WeakPolarHBondContact O-CA 3.41Å; D179-I214 PolarHBondContact O-N 3.25Å
180E94.3Very high92.3Very high15 Ų1573.1 Ų73.17%0.0736%0.364CS..BIsolated β-bridgetrans-75.3146.7173.8-72.4175.2-139.900112Y173 P175 K176 Q177 W201 I214Y173-E180 HydrophobicContact CE1-CB 4.47Å; Y173-E180 WeakPolarHBondContact CE1-OE2 3.38Å; Y173-E180 PolarHBondContact OH-OE2 3.2Å; P175-E180 HydrophobicContact CB-CB 3.55Å; K176-E180 PolarHBondContact N-OE2 3.01Å; Q177-E180 HydrophobicContact CB-CG 4.1Å; Q177-E180 WeakPolarHBondContact CB-OE1 3.41Å; Q177-E180 WeakPolarHBondContact CG-OE1 3.42Å; Q177-E180 PolarHBondContact N-OE1 2.77Å; Q177-E180 PolarHBondContact NE2-OE1 3.31Å; Q177-E180 PolarHBondContact O-N 3.13Å; E180-W201 HydrophobicContact CG-CH2 4.31Å; E180-W201 HydrophobicContact CG-CZ3 3.95Å; E180-I214 CarbonylContact C-O 3.48Å; E180-I214 VanDerWaalsContact CA-O 3.3Å; E180-I214 WeakPolarHBondContact CA-O 3.48Å; E180-I214 HydrophobicContact CB-CG1 4.45Å; E180-I214 HydrophobicContact CG-CD1 4.2Å; E180-I214 HydrophobicContact CG-CG1 3.85Å
181L92.5Very high92.4Very high2 Ų267.5 Ų67.51%0.0134%0.344CS..PPolyproline II helixtrans-103122.1-175.1-175.264.5000111.3L183 I189 N206 L211 I214 F215L181-L183 HydrophobicContact CD2-CD2 4.36Å; L181-L183 HydrophobicContact CG-CD2 4.37Å; L181-L183 PolarHBondContact O-N 3.26Å; L181-I189 HydrophobicContact CD2-CG2 4.04Å; L181-N206 HydrophobicContact CD1-CB 3.86Å; L181-N206 HydrophobicContact CD2-CB 4.05Å; L181-N206 HydrophobicContact CG-CB 4.14Å; L181-L211 HydrophobicContact CD1-CB 3.79Å; L181-L211 WeakPolarHBondContact CD1-O 3.25Å; L181-I214 PolarHBondContact N-O 3.16Å; L181-F215 HydrophobicContact CB-CB 4.34Å; L181-F215 HydrophobicContact CD2-CD1 3.88Å; L181-F215 HydrophobicContact CD2-CE1 4.46Å
182E94.2Very high92.2Very high69 Ų6964.7 Ų64.732%0.32234%0.338SS..PPolyproline II helixtrans-63.4129.6171.7-172.3-173.9-130.800111.2Y173 P175 H184 N206 R208Y173-E182 WeakPolarHBondContact O-CA 3.18Å; P175-E182 HydrophobicContact CG-CB 4.19Å; E182-H184 IonicContact OE1-CE1 3.53Å; E182-H184 IonicContact OE2-CE1 3.14Å; E182-N206 PolarHBondContact O-ND2 2.99Å; E182-R208 IonicContact OE2-NH2 3.8Å
183L94.2Very high91.9Very high0 Ų062.5 Ų62.50%033%0.33CS..BIsolated β-bridgetrans-116.8141.4174.1-49.9179.8000109.6A169 E172 Y173 L181 I189 F215 F219 V220A169-L183 HydrophobicContact CB-CB 4.14Å; A169-L183 HydrophobicContact CB-CD1 4.45Å; E172-L183 WeakPolarHBondContact CA-O 3.37Å; E172-L183 WeakPolarHBondContact CG-O 3.26Å; Y173-L183 PolarHBondContact N-O 3.03Å; Y173-L183 PolarHBondContact O-N 2.9Å; L181-L183 HydrophobicContact CD2-CD2 4.36Å; L181-L183 HydrophobicContact CG-CD2 4.37Å; L181-L183 PolarHBondContact O-N 3.26Å; L183-I189 HydrophobicContact CD2-CD1 3.44Å; L183-I189 VanDerWaalsContact CD2-CD1 3.44Å; L183-I189 HydrophobicContact CD2-CG1 3.77Å; L183-F215 HydrophobicContact CD1-CB 4.12Å; L183-F215 HydrophobicContact CD1-CD2 4.24Å; L183-F215 HydrophobicContact CD1-CG 4.44Å; L183-F215 HydrophobicContact CD2-CB 4.31Å; L183-F215 HydrophobicContact CD2-CG 4.37Å; L183-F215 HydrophobicContact CG-CB 4.4Å; L183-F219 HydrophobicContact CD1-CB 3.78Å; L183-V220 HydrophobicContact CD1-CG1 4.24Å
184H92.2Very high91.6Very high58 Ų5865.3 Ų65.327%0.26934%0.34SS..  trans-117.4159.9162.5-67.65.2000109.5A169 E182 D186 D187 R208A169-H184 WeakPolarHBondContact CB-O 3.49Å; E182-H184 IonicContact OE1-CE1 3.53Å; E182-H184 IonicContact OE2-CE1 3.14Å; H184-D186 PolarHBondContact O-N 2.95Å; H184-D187 PolarHBondContact N-OD2 2.74Å; H184-D187 VanDerWaalsContact O-CB 3.26Å; H184-D187 WeakPolarHBondContact O-CB 3.46Å; H184-D187 PolarHBondContact O-N 3.21Å; H184-R208 PolarHBondContact CD2-NH1 3.48Å; H184-R208 PolarHBondContact CD2-NH2 3.41Å; H184-R208 PolarHBondContact ND1-NH2 2.87Å; H184-R208 PolarHBondContact NE2-NH1 3.44Å
185I92Very high91Very high107 Ų10765 Ų6555%0.54934%0.341SS..THydrogen-bonded Turntrans-56.6135.9177.5-58174000110E172 D187E172-I185 HydrophobicContact CB-CG1 4.48Å; I185-D187 PolarHBondContact O-N 3.37Å
186D92Very high90.5Very high83 Ų8364.6 Ų64.644%0.44434%0.335SS..THydrogen-bonded Turntrans64.68.6-173.9-66.6-52.2000116.5R168 A169 H184 I188R168-D186 WeakPolarHBondContact CD-OD1 3.49Å; R168-D186 HydrophobicContact CG-CB 4.39Å; R168-D186 IonicContact CZ-OD1 3.31Å; R168-D186 IonicContact NE-OD1 3.93Å; R168-D186 PolarHBondContact NE-OD1 3.2Å; R168-D186 VanDerWaalsContact NE-OD1 3.14Å; R168-D186 IonicContact NH1-OD1 3.94Å; A169-D186 WeakPolarHBondContact O-CA 3.47Å; A169-D186 PolarHBondContact O-N 3.17Å; H184-D186 PolarHBondContact O-N 2.95Å; D186-I188 PolarHBondContact O-N 3.44Å
187D93.9Very high90.1Very high14 Ų1462.6 Ų62.68%0.07534%0.34CS..  trans-59.6133.2169.8-90.6-19.9000111.6R168 A169 H184 I185 I189 N206 R208R168-D187 CarbonylContact C-O 3.37Å; R168-D187 WeakPolarHBondContact CA-O 3.39Å; A169-D187 HydrophobicContact CB-CB 4.13Å; A169-D187 PolarHBondContact N-O 3.15Å; H184-D187 PolarHBondContact N-OD2 2.74Å; H184-D187 VanDerWaalsContact O-CB 3.26Å; H184-D187 WeakPolarHBondContact O-CB 3.46Å; H184-D187 PolarHBondContact O-N 3.21Å; I185-D187 PolarHBondContact O-N 3.37Å; D187-I189 HydrophobicContact CB-CD1 4.01Å; D187-N206 PolarHBondContact OD2-ND2 3.35Å; D187-R208 VanDerWaalsContact CG-NE 3.3Å; D187-R208 WeakPolarHBondContact OD1-CB 3.42Å; D187-R208 VanDerWaalsContact OD1-CD 3.27Å; D187-R208 WeakPolarHBondContact OD1-CD 3.48Å; D187-R208 IonicContact OD1-CZ 3.93Å; D187-R208 IonicContact OD1-NE 3.59Å; D187-R208 PolarHBondContact OD1-NE 3.41Å; D187-R208 IonicContact OD1-NH2 3.76Å; D187-R208 IonicContact OD2-CZ 3.78Å; D187-R208 VanDerWaalsContact OD2-CZ 3.31Å; D187-R208 IonicContact OD2-NE 2.76Å; D187-R208 PolarHBondContact OD2-NE 2.89Å; D187-R208 IonicContact OD2-NH2 2.81Å; D187-R208 PolarHBondContact OD2-NH2 3.1Å
188I94.2Very high89.7Confident59 Ų5962 Ų6230%0.30334%0.34SS..EExtended strand (participates in β ladder)trans-87.7119.8173.7-49.3-56.9000108.7Q166 R168 D186 M207 I223Q166-I188 HydrophobicContact CB-CG2 4.39Å; R168-I188 HydrophobicContact CB-CD1 4.26Å; R168-I188 HydrophobicContact CG-CD1 4.1Å; D186-I188 PolarHBondContact O-N 3.44Å; I188-M207 HydrophobicContact CB-CB 4.2Å; I188-M207 HydrophobicContact CB-CG 4.17Å; I188-M207 HydrophobicContact CG2-CG 4.02Å; I188-M207 WeakPolarHBondContact O-CB 3.39Å; I188-M207 WeakPolarHBondContact O-CG 3.21Å; I188-M207 PolarHBondContact O-N 3.06Å; I188-I223 HydrophobicContact CB-CD1 4.5Å; I188-I223 HydrophobicContact CD1-CD1 3.64Å; I188-I223 HydrophobicContact CG2-CD1 3.71Å
189I93.9Very high89.5Confident0 Ų063.2 Ų63.20%033%0.331CS..EExtended strand (participates in β ladder)trans-110.8123178.3-43.9-58000108.8Q166 V167 L181 L183 D187 V191 R205 N206 F215 V220Q166-I189 WeakPolarHBondContact CA-O 3.27Å; V167-I189 HydrophobicContact CG2-CB 3.94Å; V167-I189 PolarHBondContact N-O 3.48Å; V167-I189 PolarHBondContact O-N 3.02Å; L181-I189 HydrophobicContact CD2-CG2 4.04Å; L183-I189 HydrophobicContact CD2-CD1 3.44Å; L183-I189 VanDerWaalsContact CD2-CD1 3.44Å; L183-I189 HydrophobicContact CD2-CG1 3.77Å; D187-I189 HydrophobicContact CB-CD1 4.01Å; I189-V191 PolarHBondContact O-N 3.4Å; I189-R205 CarbonylContact C-O 3.57Å; I189-R205 WeakPolarHBondContact CA-O 3.23Å; I189-N206 HydrophobicContact CD1-CB 3.66Å; I189-F215 HydrophobicContact CG2-CD1 4.26Å; I189-F215 HydrophobicContact CG2-CE1 3.63Å; I189-F215 HydrophobicContact CG2-CZ 3.83Å; I189-V220 HydrophobicContact CG1-CG1 4.32Å
190Q93.3Very high89.3Confident68 Ų6860.5 Ų60.532%0.31832%0.322SS..EExtended strand (participates in β ladder)trans-79.7115.1168.3-176.9179.617.400108.5N165 G204 R205 M207N165-Q190 CarbonylContact O-C 3.46Å; N165-Q190 WeakPolarHBondContact O-CA 3.42Å; Q190-G204 CarbonylContact O-C 3.58Å; Q190-G204 WeakPolarHBondContact O-CA 3.25Å; Q190-R205 HydrophobicContact CB-CB 4.39Å; Q190-R205 PolarHBondContact N-O 3.14Å; Q190-R205 PolarHBondContact O-N 2.81Å; Q190-M207 HydrophobicContact CB-SD 4.2Å
191V93.6Very high89.2Confident10 Ų1062.6 Ų62.66%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-75.2129.2177.7-169.20000108.7N165 V167 I189 R194 W202N165-V191 PolarHBondContact O-N 3.25Å; V167-V191 HydrophobicContact CB-CG2 4.35Å; V167-V191 HydrophobicContact CG1-CG2 3.81Å; V167-V191 HydrophobicContact CG2-CG2 3.6Å; I189-V191 PolarHBondContact O-N 3.4Å; V191-R194 HydrophobicContact CG1-CG 3.64Å; V191-W202 HydrophobicContact CG1-CB 4.42Å; V191-W202 HydrophobicContact CG1-CE3 4.35Å; V191-W202 HydrophobicContact CG2-CE3 4.23Å
192L89.1Confident89.3Confident81 Ų8163.4 Ų63.442%0.42433%0.333SS..EExtended strand (participates in β ladder)trans-109.3-37.4-178.4-64174.6000111.7R203 R205 I212L192-R203 WeakPolarHBondContact CA-O 3.47Å; L192-R203 PolarHBondContact N-O 3.46Å; L192-R205 HydrophobicContact CD1-CB 4.34Å; L192-I212 HydrophobicContact CD1-CD1 4.34Å; L192-I212 HydrophobicContact CD1-CG2 3.81Å
193D87.4Confident89.2Confident68 Ų6865.2 Ų65.236%0.36434%0.336SS..EExtended strand (participates in β ladder)trans-145.1148.5176.5-152.5-30000109.7N195 R203D193-N195 PolarHBondContact OD1-N 3.07Å; D193-R203 HydrophobicContact CB-CB 3.86Å; D193-R203 PolarHBondContact N-O 2.98Å; D193-R203 PolarHBondContact O-N 2.67Å
194R88.1Confident89.2Confident74 Ų7465.2 Ų65.228%0.27934%0.336SS..SBendtrans-124.5-6.5176.4-63.2-179.6-176.1138.9-1.4112.5Y162 T164 V191 W202Y162-R194 VanDerWaalsContact CB-CZ 3.46Å; Y162-R194 VanDerWaalsContact CB-NH2 3.31Å; Y162-R194 PolarHBondContact O-NH1 3.44Å; Y162-R194 VanDerWaalsContact O-NH1 3.12Å; Y162-R194 PolarHBondContact O-NH2 2.93Å; T164-R194 PolarHBondContact O-NH2 3Å; T164-R194 VanDerWaalsContact O-NH2 3.13Å; V191-R194 HydrophobicContact CG1-CG 3.64Å; R194-W202 HydrophobicContact CB-CG 4.33Å; R194-W202 HydrophobicContact CG-CD2 4.1Å; R194-W202 HydrophobicContact CG-CG 4.06Å
195N80.8Confident89.3Confident119 Ų11966.9 Ų66.964%0.63634%0.34SS*.  trans-111.561.1-172.5-66.689.6000109.6D193D193-N195 PolarHBondContact OD1-N 3.07Å
196L82.2Confident89.4Confident38 Ų3861.8 Ų61.820%0.19931%0.314CS..  trans-80.4160.8170.6-63-175.1000110.6D198 W201 R203 I214L196-D198 PolarHBondContact O-N 2.98Å; L196-W201 HydrophobicContact CD1-CB 3.96Å; L196-W201 WeakPolarHBondContact CD1-O 3.5Å; L196-R203 HydrophobicContact CD1-CB 4.32Å; L196-R203 HydrophobicContact CD2-CB 4.28Å; L196-I214 HydrophobicContact CD1-CB 4.01Å; L196-I214 HydrophobicContact CD1-CG2 3.53Å
197P78.3Confident89.3Confident129 Ų12961.7 Ų61.784%0.83831%0.312SS*.SBendtrans-66-18176.9-21.534.4000114.6
198D80.3Confident89.1Confident107 Ų10766.1 Ų66.157%0.57233%0.328SS*.SBendtrans-105.1110.4176.9-62.1-48.5000109.3L196 W201L196-D198 PolarHBondContact O-N 2.98Å; D198-W201 HydrophobicContact CB-CG 4.42Å; D198-W201 PolarHBondContact O-N 2.84Å
199D82.6Confident88.9Confident142 Ų14265.3 Ų65.376%0.75933%0.326SS*.THydrogen-bonded Turntrans-56.3143.8178.2-74.4-41.2000112.3W201D199-W201 VanDerWaalsContact C-N 3.27Å; D199-W201 PolarHBondContact O-N 2.62Å
200G86.6Confident88.7Confident27 Ų2769.3 Ų69.328%0.27835%0.347SS..THydrogen-bonded Turntrans78.63-176.500000114.8P216 D217G200-P216 CarbonylContact O-C 3.5Å; G200-P216 WeakPolarHBondContact O-CA 3.29Å; G200-D217 PolarHBondContact O-N 3.22Å; G200-D217 VanDerWaalsContact O-OD1 3.05Å
201W91.7Very high88.7Confident60 Ų6071 Ų7123%0.22736%0.358CS..EExtended strand (participates in β ladder)trans-108.8129.7171.2-65.483.3000111.7Y173 E180 L196 D198 D199 I214 F215 P216Y173-W201 WeakPolarHBondContact OH-CH2 3.43Å; E180-W201 HydrophobicContact CG-CH2 4.31Å; E180-W201 HydrophobicContact CG-CZ3 3.95Å; L196-W201 HydrophobicContact CD1-CB 3.96Å; L196-W201 WeakPolarHBondContact CD1-O 3.5Å; D198-W201 HydrophobicContact CB-CG 4.42Å; D198-W201 PolarHBondContact O-N 2.84Å; D199-W201 VanDerWaalsContact C-N 3.27Å; D199-W201 PolarHBondContact O-N 2.62Å; W201-I214 HydrophobicContact CE3-CB 4.27Å; W201-I214 HydrophobicContact CE3-CD1 4Å; W201-I214 HydrophobicContact CE3-CG1 3.93Å; W201-I214 HydrophobicContact CZ3-CD1 4.3Å; W201-I214 HydrophobicContact CZ3-CG1 4.16Å; W201-F215 WeakPolarHBondContact CA-O 3.3Å; W201-P216 HydrophobicContact CE3-CG 4.14Å; W201-P216 HydrophobicContact CH2-CG 3.95Å; W201-P216 HydrophobicContact CZ2-CG 4.33Å; W201-P216 HydrophobicContact CZ3-CG 3.83Å
202W94.3Very high88.6Confident18 Ų1874.7 Ų74.77%0.06838%0.376CS..EExtended strand (participates in β ladder)trans-114.1151.6173.1-63.3-12000110.7Y162 V167 V191 R194 I214 F215 D217 V220Y162-W202 HydrophobicContact CD1-CH2 4.28Å; Y162-W202 AromaticContact CD2-CH2 3.91Å; Y162-W202 HydrophobicContact CD2-CH2 3.91Å; Y162-W202 AromaticContact CD2-CZ2 3.9Å; Y162-W202 HydrophobicContact CD2-CZ2 3.9Å; Y162-W202 AromaticContact CE1-CH2 3.91Å; Y162-W202 HydrophobicContact CE1-CH2 3.91Å; Y162-W202 HydrophobicContact CE1-CZ2 4.46Å; Y162-W202 AromaticContact CE2-CH2 3.52Å; Y162-W202 HydrophobicContact CE2-CH2 3.52Å; Y162-W202 AromaticContact CE2-CZ2 3.3Å; Y162-W202 HydrophobicContact CE2-CZ2 3.3Å; Y162-W202 HydrophobicContact CG-CH2 4.27Å; Y162-W202 AromaticContact CZ-CH2 3.5Å; Y162-W202 AromaticContact CZ-CZ2 3.62Å; V167-W202 HydrophobicContact CG1-CZ3 4.27Å; V191-W202 HydrophobicContact CG1-CB 4.42Å; V191-W202 HydrophobicContact CG1-CE3 4.35Å; V191-W202 HydrophobicContact CG2-CE3 4.23Å; R194-W202 HydrophobicContact CB-CG 4.33Å; R194-W202 HydrophobicContact CG-CD2 4.1Å; R194-W202 HydrophobicContact CG-CG 4.06Å; W202-I214 CarbonylContact O-C 3.56Å; W202-I214 VanDerWaalsContact O-CA 3.29Å; W202-I214 WeakPolarHBondContact O-CA 3.4Å; W202-F215 HydrophobicContact CB-CE1 4.14Å; W202-F215 HydrophobicContact CB-CE2 4.15Å; W202-F215 HydrophobicContact CB-CZ 3.77Å; W202-F215 HydrophobicContact CE3-CE2 4.09Å; W202-F215 HydrophobicContact CE3-CZ 4.15Å; W202-F215 PolarHBondContact N-O 3.01Å; W202-F215 VanDerWaalsContact O-CD1 3.28Å; W202-F215 WeakPolarHBondContact O-CD1 3.43Å; W202-F215 WeakPolarHBondContact O-CE1 3.43Å; W202-F215 PolarHBondContact O-N 2.88Å; W202-D217 HydrophobicContact CD2-CB 3.65Å; W202-D217 HydrophobicContact CE3-CB 4.03Å; W202-D217 HydrophobicContact CG-CB 4.16Å; W202-D217 HydrophobicContact CH2-CB 3.9Å; W202-D217 HydrophobicContact CZ2-CB 3.51Å; W202-D217 HydrophobicContact CZ3-CB 4.14Å; W202-V220 HydrophobicContact CE3-CG2 4.11Å; W202-V220 HydrophobicContact CZ3-CG2 3.71Å
203R92.9Very high88.8Confident107 Ų10771 Ų7140%0.40436%0.359SS..EExtended strand (participates in β ladder)trans-100.3133.6173.7-165.9172.7174.9-87.6-3.2109.7L192 D193 L196 G213 I214L192-R203 WeakPolarHBondContact CA-O 3.47Å; L192-R203 PolarHBondContact N-O 3.46Å; D193-R203 HydrophobicContact CB-CB 3.86Å; D193-R203 PolarHBondContact N-O 2.98Å; D193-R203 PolarHBondContact O-N 2.67Å; L196-R203 HydrophobicContact CD1-CB 4.32Å; L196-R203 HydrophobicContact CD2-CB 4.28Å; R203-G213 WeakPolarHBondContact CA-O 3.41Å; R203-I214 HydrophobicContact CB-CG2 4.46Å; R203-I214 HydrophobicContact CG-CG2 4.38Å
204G93.7Very high89.1Confident0 Ų068.9 Ų68.90%035%0.347CS..EExtended strand (participates in β ladder)trans-159.3179.9-178.100000114.2Q190 I212 G213Q190-G204 CarbonylContact O-C 3.58Å; Q190-G204 WeakPolarHBondContact O-CA 3.25Å; G204-I212 VanDerWaalsContact O-CA 3.29Å; G204-I212 WeakPolarHBondContact O-CA 3.42Å; G204-I212 WeakPolarHBondContact O-CG2 3.5Å; G204-G213 PolarHBondContact N-O 3.28Å; G204-G213 PolarHBondContact O-N 3.37Å
205R94.4Very high89.4Confident93 Ų9365.4 Ų65.435%0.35133%0.334SS..EExtended strand (participates in β ladder)trans-116.5121.3176.8-179.5179.3176.1163.1-2.2109.5I189 Q190 L192 M207 N210 L211 I212I189-R205 CarbonylContact C-O 3.57Å; I189-R205 WeakPolarHBondContact CA-O 3.23Å; Q190-R205 HydrophobicContact CB-CB 4.39Å; Q190-R205 PolarHBondContact N-O 3.14Å; Q190-R205 PolarHBondContact O-N 2.81Å; L192-R205 HydrophobicContact CD1-CB 4.34Å; R205-M207 PolarHBondContact O-N 3.41Å; R205-N210 PolarHBondContact NE-OD1 3.09Å; R205-N210 PolarHBondContact NH2-OD1 2.96Å; R205-L211 CarbonylContact C-O 3.51Å; R205-L211 VanDerWaalsContact CA-O 3.29Å; R205-L211 WeakPolarHBondContact CA-O 3.39Å; R205-I212 HydrophobicContact CB-CG1 3.96Å; R205-I212 HydrophobicContact CG-CG1 3.98Å
206N93.5Very high90Very high0 Ų060.5 Ų60.50%031%0.308CS..EExtended strand (participates in β ladder)trans-74124.3172.3-177.6-29.7000108.8L181 E182 D187 I189 R208 T209 N210 L211L181-N206 HydrophobicContact CD1-CB 3.86Å; L181-N206 HydrophobicContact CD2-CB 4.05Å; L181-N206 HydrophobicContact CG-CB 4.14Å; E182-N206 PolarHBondContact O-ND2 2.99Å; D187-N206 PolarHBondContact OD2-ND2 3.35Å; I189-N206 HydrophobicContact CD1-CB 3.66Å; N206-R208 VanDerWaalsContact C-N 3.34Å; N206-R208 PolarHBondContact O-N 2.89Å; N206-R208 WeakPolarHBondContact OD1-CB 3.31Å; N206-R208 PolarHBondContact OD1-N 2.93Å; N206-T209 WeakPolarHBondContact CB-OG1 3.37Å; N206-T209 PolarHBondContact OD1-N 2.92Å; N206-N210 WeakPolarHBondContact O-CA 3.35Å; N206-N210 PolarHBondContact O-N 3.31Å; N206-L211 PolarHBondContact N-O 2.78Å
207M90Very high90.5Very high82 Ų8260.2 Ų60.240%0.40431%0.307SS..THydrogen-bonded Turntrans-74.2-22.6-176.6-62.6-65-67.300113.1I188 Q190 R205 N210I188-M207 HydrophobicContact CB-CB 4.2Å; I188-M207 HydrophobicContact CB-CG 4.17Å; I188-M207 HydrophobicContact CG2-CG 4.02Å; I188-M207 WeakPolarHBondContact O-CB 3.39Å; I188-M207 WeakPolarHBondContact O-CG 3.21Å; I188-M207 PolarHBondContact O-N 3.06Å; Q190-M207 HydrophobicContact CB-SD 4.2Å; R205-M207 PolarHBondContact O-N 3.41Å; M207-N210 PolarHBondContact O-ND2 2.93Å
208R90.2Very high91.2Very high106 Ų10660.1 Ų60.140%0.430%0.3SS..THydrogen-bonded Turntrans-73.5-55.5173.3173.8-178.457.3964110.8E182 H184 D187 N206E182-R208 IonicContact OE2-NH2 3.8Å; H184-R208 PolarHBondContact CD2-NH1 3.48Å; H184-R208 PolarHBondContact CD2-NH2 3.41Å; H184-R208 PolarHBondContact ND1-NH2 2.87Å; H184-R208 PolarHBondContact NE2-NH1 3.44Å; D187-R208 VanDerWaalsContact CG-NE 3.3Å; D187-R208 WeakPolarHBondContact OD1-CB 3.42Å; D187-R208 VanDerWaalsContact OD1-CD 3.27Å; D187-R208 WeakPolarHBondContact OD1-CD 3.48Å; D187-R208 IonicContact OD1-CZ 3.93Å; D187-R208 IonicContact OD1-NE 3.59Å; D187-R208 PolarHBondContact OD1-NE 3.41Å; D187-R208 IonicContact OD1-NH2 3.76Å; D187-R208 IonicContact OD2-CZ 3.78Å; D187-R208 VanDerWaalsContact OD2-CZ 3.31Å; D187-R208 IonicContact OD2-NE 2.76Å; D187-R208 PolarHBondContact OD2-NE 2.89Å; D187-R208 IonicContact OD2-NH2 2.81Å; D187-R208 PolarHBondContact OD2-NH2 3.1Å; N206-R208 VanDerWaalsContact C-N 3.34Å; N206-R208 PolarHBondContact O-N 2.89Å; N206-R208 WeakPolarHBondContact OD1-CB 3.31Å; N206-R208 PolarHBondContact OD1-N 2.93Å
209T90.5Very high91.8Very high42 Ų4258 Ų5826%0.25829%0.285SS..THydrogen-bonded Turntrans-88.1-15.9-173.664.90000113.6N206 L211N206-T209 WeakPolarHBondContact CB-OG1 3.37Å; N206-T209 PolarHBondContact OD1-N 2.92Å; T209-L211 PolarHBondContact O-N 3.18Å; T209-L211 VanDerWaalsContact O-N 3.14Å; T209-L211 PolarHBondContact OG1-N 2.98Å
210N90Very high92.4Very high85 Ų8552 Ų5246%0.45525%0.254SS..  trans607.7-171-74.2-88000115.4R205 N206 M207R205-N210 PolarHBondContact NE-OD1 3.09Å; R205-N210 PolarHBondContact NH2-OD1 2.96Å; N206-N210 WeakPolarHBondContact O-CA 3.35Å; N206-N210 PolarHBondContact O-N 3.31Å; M207-N210 PolarHBondContact O-ND2 2.93Å
211L92Very high92.6Very high103 Ų10351.4 Ų51.454%0.53925%0.246SC..  trans-72.1153.6173.6-61177.8000111L181 R205 N206 T209L181-L211 HydrophobicContact CD1-CB 3.79Å; L181-L211 WeakPolarHBondContact CD1-O 3.25Å; R205-L211 CarbonylContact C-O 3.51Å; R205-L211 VanDerWaalsContact CA-O 3.29Å; R205-L211 WeakPolarHBondContact CA-O 3.39Å; N206-L211 PolarHBondContact N-O 2.78Å; T209-L211 PolarHBondContact O-N 3.18Å; T209-L211 VanDerWaalsContact O-N 3.14Å; T209-L211 PolarHBondContact OG1-N 2.98Å
212I92.4Very high92.4Very high87 Ų8751.3 Ų51.345%0.44625%0.253SS..EExtended strand (participates in β ladder)trans-121.1130176.3-59.1178.4000108L192 G204 R205L192-I212 HydrophobicContact CD1-CD1 4.34Å; L192-I212 HydrophobicContact CD1-CG2 3.81Å; G204-I212 VanDerWaalsContact O-CA 3.29Å; G204-I212 WeakPolarHBondContact O-CA 3.42Å; G204-I212 WeakPolarHBondContact O-CG2 3.5Å; R205-I212 HydrophobicContact CB-CG1 3.96Å; R205-I212 HydrophobicContact CG-CG1 3.98Å
213G93.1Very high91.9Very high5 Ų552.8 Ų52.85%0.05226%0.262CS..EExtended strand (participates in β ladder)trans-168.6-175.218000000112.4D179 R203 G204D179-G213 CarbonylContact O-C 3.39Å; D179-G213 WeakPolarHBondContact O-CA 3.41Å; R203-G213 WeakPolarHBondContact CA-O 3.41Å; G204-G213 PolarHBondContact N-O 3.28Å; G204-G213 PolarHBondContact O-N 3.37Å
214I94Very high90.6Very high23 Ų2352.7 Ų52.712%0.11827%0.27CS..EExtended strand (participates in β ladder)trans-92.1145.9174.169.9174.8000110.5D179 E180 L181 L196 W201 W202 R203D179-I214 PolarHBondContact O-N 3.25Å; E180-I214 CarbonylContact C-O 3.48Å; E180-I214 VanDerWaalsContact CA-O 3.3Å; E180-I214 WeakPolarHBondContact CA-O 3.48Å; E180-I214 HydrophobicContact CB-CG1 4.45Å; E180-I214 HydrophobicContact CG-CD1 4.2Å; E180-I214 HydrophobicContact CG-CG1 3.85Å; L181-I214 PolarHBondContact N-O 3.16Å; L196-I214 HydrophobicContact CD1-CB 4.01Å; L196-I214 HydrophobicContact CD1-CG2 3.53Å; W201-I214 HydrophobicContact CE3-CB 4.27Å; W201-I214 HydrophobicContact CE3-CD1 4Å; W201-I214 HydrophobicContact CE3-CG1 3.93Å; W201-I214 HydrophobicContact CZ3-CD1 4.3Å; W201-I214 HydrophobicContact CZ3-CG1 4.16Å; W202-I214 CarbonylContact O-C 3.56Å; W202-I214 VanDerWaalsContact O-CA 3.29Å; W202-I214 WeakPolarHBondContact O-CA 3.4Å; R203-I214 HydrophobicContact CB-CG2 4.46Å; R203-I214 HydrophobicContact CG-CG2 4.38Å
215F94Very high88.3Confident0 Ų056.8 Ų56.80%031%0.311CS..EExtended strand (participates in β ladder)trans-148.4153.9176.561.2-83.3000110.6L181 L183 I189 W201 W202 V220L181-F215 HydrophobicContact CB-CB 4.34Å; L181-F215 HydrophobicContact CD2-CD1 3.88Å; L181-F215 HydrophobicContact CD2-CE1 4.46Å; L183-F215 HydrophobicContact CD1-CB 4.12Å; L183-F215 HydrophobicContact CD1-CD2 4.24Å; L183-F215 HydrophobicContact CD1-CG 4.44Å; L183-F215 HydrophobicContact CD2-CB 4.31Å; L183-F215 HydrophobicContact CD2-CG 4.37Å; L183-F215 HydrophobicContact CG-CB 4.4Å; I189-F215 HydrophobicContact CG2-CD1 4.26Å; I189-F215 HydrophobicContact CG2-CE1 3.63Å; I189-F215 HydrophobicContact CG2-CZ 3.83Å; W201-F215 WeakPolarHBondContact CA-O 3.3Å; W202-F215 HydrophobicContact CB-CE1 4.14Å; W202-F215 HydrophobicContact CB-CE2 4.15Å; W202-F215 HydrophobicContact CB-CZ 3.77Å; W202-F215 HydrophobicContact CE3-CE2 4.09Å; W202-F215 HydrophobicContact CE3-CZ 4.15Å; W202-F215 PolarHBondContact N-O 3.01Å; W202-F215 VanDerWaalsContact O-CD1 3.28Å; W202-F215 WeakPolarHBondContact O-CD1 3.43Å; W202-F215 WeakPolarHBondContact O-CE1 3.43Å; W202-F215 PolarHBondContact O-N 2.88Å; F215-V220 HydrophobicContact CD2-CG1 3.96Å; F215-V220 HydrophobicContact CE2-CB 4.39Å; F215-V220 HydrophobicContact CE2-CG1 3.68Å; F215-V220 HydrophobicContact CE2-CG2 3.77Å
216P93.3Very high85.6Confident16 Ų1657 Ų5710%0.10432%0.323CS..EExtended strand (participates in β ladder)trans-72.3132177.5-12.427.7000111Y173 G200 W201 N218 F219Y173-P216 HydrophobicContact CD2-CG 4.05Å; Y173-P216 HydrophobicContact CE2-CG 3.66Å; G200-P216 CarbonylContact O-C 3.5Å; G200-P216 WeakPolarHBondContact O-CA 3.29Å; W201-P216 HydrophobicContact CE3-CG 4.14Å; W201-P216 HydrophobicContact CH2-CG 3.95Å; W201-P216 HydrophobicContact CZ2-CG 4.33Å; W201-P216 HydrophobicContact CZ3-CG 3.83Å; P216-N218 VanDerWaalsContact C-N 3.29Å; P216-N218 PolarHBondContact O-N 3.03Å; P216-F219 HydrophobicContact CB-CD2 3.85Å; P216-F219 HydrophobicContact CB-CE2 4.33Å; P216-F219 HydrophobicContact CG-CD2 4.14Å; P216-F219 HydrophobicContact CG-CE2 4.4Å; P216-F219 PolarHBondContact O-N 2.92Å; P216-F219 VanDerWaalsContact O-N 3.15Å
217D93.1Very high83Confident32 Ų3265.3 Ų65.317%0.17137%0.368CS..G310 helixtrans-61.9-34.8-177.866.8-14.9000113.4G200 W202 F219 V220G200-D217 PolarHBondContact O-N 3.22Å; G200-D217 VanDerWaalsContact O-OD1 3.05Å; W202-D217 HydrophobicContact CD2-CB 3.65Å; W202-D217 HydrophobicContact CE3-CB 4.03Å; W202-D217 HydrophobicContact CG-CB 4.16Å; W202-D217 HydrophobicContact CH2-CB 3.9Å; W202-D217 HydrophobicContact CZ2-CB 3.51Å; W202-D217 HydrophobicContact CZ3-CB 4.14Å; D217-F219 PolarHBondContact O-N 2.93Å; D217-V220 WeakPolarHBondContact O-CG2 3.44Å; D217-V220 PolarHBondContact O-N 2.81Å
218N93.2Very high80.6Confident128 Ų12866.9 Ų66.968%0.68437%0.372SS*.G310 helixtrans-59.8-13.6176.6-81.1-95.6000113.8P216P216-N218 VanDerWaalsContact C-N 3.29Å; P216-N218 PolarHBondContact O-N 3.03Å
219F92.7Very high78.2Confident62 Ų6268.7 Ų68.727%0.27239%0.385SS..G310 helixtrans-91.2-6.4177.4-77-115.6000113.2A169 R170 Y171 E172 Y173 L183 P216 D217A169-F219 CarbonylContact C-O 3.58Å; A169-F219 WeakPolarHBondContact CA-O 3.02Å; R170-F219 PolarHBondContact N-O 3.01Å; Y171-F219 PolarHBondContact N-O 3.29Å; E172-F219 WeakPolarHBondContact O-CE1 3.44Å; Y173-F219 AromaticContact CD2-CD1 3.94Å; Y173-F219 HydrophobicContact CD2-CD1 3.94Å; Y173-F219 AromaticContact CD2-CE1 3.74Å; Y173-F219 HydrophobicContact CD2-CE1 3.74Å; Y173-F219 HydrophobicContact CD2-CE2 4.36Å; Y173-F219 HydrophobicContact CD2-CG 4.35Å; Y173-F219 AromaticContact CD2-CZ 3.97Å; Y173-F219 HydrophobicContact CD2-CZ 3.97Å; Y173-F219 HydrophobicContact CG-CD1 4.36Å; Y173-F219 HydrophobicContact CG-CE1 4.49Å; L183-F219 HydrophobicContact CD1-CB 3.78Å; P216-F219 HydrophobicContact CB-CD2 3.85Å; P216-F219 HydrophobicContact CB-CE2 4.33Å; P216-F219 HydrophobicContact CG-CD2 4.14Å; P216-F219 HydrophobicContact CG-CE2 4.4Å; P216-F219 PolarHBondContact O-N 2.92Å; P216-F219 VanDerWaalsContact O-N 3.15Å; D217-F219 PolarHBondContact O-N 2.93Å
220V93.9Very high75.9Confident16 Ų1672.7 Ų72.710%0.09740%0.404CS..EExtended strand (participates in β ladder)trans-122.3166.5-178.1-61.60000112.9V167 R168 A169 L183 I189 W202 F215 D217V167-V220 HydrophobicContact CB-CB 3.98Å; V167-V220 HydrophobicContact CB-CG2 4.1Å; V167-V220 HydrophobicContact CG2-CB 3.72Å; V167-V220 HydrophobicContact CG2-CG1 3.95Å; V167-V220 HydrophobicContact CG2-CG2 3.75Å; R168-V220 CarbonylContact O-C 3.58Å; R168-V220 WeakPolarHBondContact O-CA 3.44Å; A169-V220 HydrophobicContact CB-CG1 4.42Å; L183-V220 HydrophobicContact CD1-CG1 4.24Å; I189-V220 HydrophobicContact CG1-CG1 4.32Å; W202-V220 HydrophobicContact CE3-CG2 4.11Å; W202-V220 HydrophobicContact CZ3-CG2 3.71Å; F215-V220 HydrophobicContact CD2-CG1 3.96Å; F215-V220 HydrophobicContact CE2-CB 4.39Å; F215-V220 HydrophobicContact CE2-CG1 3.68Å; F215-V220 HydrophobicContact CE2-CG2 3.77Å; D217-V220 WeakPolarHBondContact O-CG2 3.44Å; D217-V220 PolarHBondContact O-N 2.81Å
221A91.1Very high73.4Confident14 Ų1472.6 Ų72.612%0.11640%0.404CS..EExtended strand (participates in β ladder)trans-142.1152172.900000111.8V167 R168 R170V167-A221 CarbonylContact C-O 3.59Å; V167-A221 VanDerWaalsContact CA-O 3.27Å; V167-A221 WeakPolarHBondContact CA-O 3.49Å; V167-A221 WeakPolarHBondContact CB-O 3.33Å; R168-A221 PolarHBondContact N-O 2.86Å; R168-A221 PolarHBondContact O-N 2.93Å; R170-A221 HydrophobicContact CG-CB 3.95Å; R170-A221 VanDerWaalsContact NE-CB 3.27Å
222P88.9Confident71Confident59 Ų5972.4 Ų72.438%0.38340%0.4SS..EExtended strand (participates in β ladder)trans-59.9136.8-180-25.336.2000113.4Y162 N224Y162-P222 HydrophobicContact CD1-CG 3.91Å; Y162-P222 HydrophobicContact CE1-CG 4.28Å; P222-N224 PolarHBondContact O-N 3.13Å
223I82.6Confident68.5Low49 Ų4973.9 Ų73.925%0.25142%0.418SS..  trans-85.891.9170.8-63.6158.9000108T164 Q166 V167 R168 I188T164-I223 WeakPolarHBondContact CG2-O 3.46Å; T164-I223 PolarHBondContact OG1-O 2.79Å; Q166-I223 HydrophobicContact CB-CD1 3.95Å; Q166-I223 PolarHBondContact O-N 3.09Å; V167-I223 VanDerWaalsContact C-CD1 3.47Å; R168-I223 HydrophobicContact CB-CD1 4.04Å; R168-I223 HydrophobicContact CB-CG1 3.73Å; I188-I223 HydrophobicContact CB-CD1 4.5Å; I188-I223 HydrophobicContact CD1-CD1 3.64Å; I188-I223 HydrophobicContact CG2-CD1 3.71Å
224N65Low66Low105 Ų10581.2 Ų81.256%0.56145%0.449SS*.  trans-82.3133.1168.8-70.8-16.8000109.1P222 T226P222-N224 PolarHBondContact O-N 3.13Å; N224-T226 PolarHBondContact O-N 3.12Å
225G47.1Very low63.3Low85 Ų8584.3 Ų84.388%0.87647%0.465SS*.SBendtrans-73.341.2-163.800000117.1
226T37.4Very low60.5Low97 Ų9792.8 Ų92.860%0.59551%0.505SS*.  trans-132.1107.9176.948.60000111.1N224 K228N224-T226 PolarHBondContact O-N 3.12Å; T226-K228 PolarHBondContact O-N 2.85Å
227N38.1Very low57.6Low175 Ų175102 Ų10294%0.93654%0.539SS*.THydrogen-bonded Turntrans-69.678.7170.6-72.8-15.1000110.5
228K39.7Very low54.9Low115 Ų115106 Ų10650%0.557%0.569SS.*THydrogen-bonded Turntrans-141.7-31.3178.1-86.8179.3155.2-117.20113.4T226 L230 D231 E232T226-K228 PolarHBondContact O-N 2.85Å; K228-L230 PolarHBondContact O-N 2.9Å; K228-D231 PolarHBondContact O-N 2.68Å; K228-E232 HydrophobicContact CB-CG 4.19Å; K228-E232 WeakPolarHBondContact CD-OE1 3.21Å; K228-E232 WeakPolarHBondContact CE-OE1 3.46Å; K228-E232 HydrophobicContact CG-CG 4.47Å; K228-E232 IonicContact NZ-OE1 2.62Å; K228-E232 PolarHBondContact NZ-OE1 2.86Å; K228-E232 PolarHBondContact O-N 3.12Å
229E39.2Very low52.1Low144 Ų144110.2 Ų110.267%0.67358%0.576SS**THydrogen-bonded Turntrans-75.818.6-179.9-145.4-173.1141.600114.4R170R170-E229 IonicContact NH2-OE1 2.73Å
230L43.5Very low49.3Very low126 Ų126114.4 Ų114.466%0.6660%0.601SS**THydrogen-bonded Turntrans-133.519.5164.1-84.7176.5000112.2K228K228-L230 PolarHBondContact O-N 2.9Å
231D36.7Very low46.5Very low83 Ų83121 Ų12144%0.44464%0.635SS.*THydrogen-bonded Turntrans-141.5-24.8177.8-151.414.5000113.1K228 S233 K234 L235K228-D231 PolarHBondContact O-N 2.68Å; D231-S233 VanDerWaalsContact C-N 3.25Å; D231-S233 PolarHBondContact O-N 2.92Å; D231-K234 WeakPolarHBondContact O-CA 3.23Å; D231-K234 PolarHBondContact O-N 2.95Å; D231-L235 HydrophobicContact CB-CD1 4.27Å; D231-L235 WeakPolarHBondContact O-CG 3.46Å; D231-L235 PolarHBondContact O-N 2.86Å; D231-L235 VanDerWaalsContact O-N 3.16Å
232E42.5Very low43.8Very low99 Ų99124.8 Ų124.846%0.46366%0.66SS.*THydrogen-bonded Turntrans-71.3-14.2-177.9-69.2-171.1149.400114.8K228 K234K228-E232 HydrophobicContact CB-CG 4.19Å; K228-E232 WeakPolarHBondContact CD-OE1 3.21Å; K228-E232 WeakPolarHBondContact CE-OE1 3.46Å; K228-E232 HydrophobicContact CG-CG 4.47Å; K228-E232 IonicContact NZ-OE1 2.62Å; K228-E232 PolarHBondContact NZ-OE1 2.86Å; K228-E232 PolarHBondContact O-N 3.12Å; E232-K234 VanDerWaalsContact C-N 3.31Å
233S39.5Very low41.2Very low119 Ų119130 Ų13083%0.83269%0.685SS**THydrogen-bonded Turntrans-82.8-0.5165.655.20000114.3D231D231-S233 VanDerWaalsContact C-N 3.25Å; D231-S233 PolarHBondContact O-N 2.92Å
234K40.5Very low39Very low158 Ų158133 Ų13369%0.68771%0.705SS**THydrogen-bonded Turntrans-116.6-7.7170-83.7-168.7171.7-174.80114.6D231 E232D231-K234 WeakPolarHBondContact O-CA 3.23Å; D231-K234 PolarHBondContact O-N 2.95Å; E232-K234 VanDerWaalsContact C-N 3.31Å
235L38.3Very low37.5Very low89 Ų89134 Ų13447%0.46672%0.718SS.*SBendtrans-101.412.8-176-68.6174.9000115.3D231D231-L235 HydrophobicContact CB-CD1 4.27Å; D231-L235 WeakPolarHBondContact O-CG 3.46Å; D231-L235 PolarHBondContact O-N 2.86Å; D231-L235 VanDerWaalsContact O-N 3.16Å
236Q34.1Very low36.7Very low177 Ų177137 Ų13783%0.82771%0.714SS**SBendtrans-109.731.7173.8-69-149.710.700115.2
237Y33.5Very low36.7Very low211 Ų211142.7 Ų142.783%0.82773%0.73SS**SBendtrans-135.6144.7154.7-118.1-97.4000110.6
238S35.7Very low36.4Very low114 Ų114139.7 Ų139.780%0.79772%0.723SS**  trans56.653.9172.747.20000118.3
239R34.2Very low36.1Very low218 Ų218140.9 Ų140.982%0.82374%0.739SS**  trans-97.870.8144-83.5-163.4-176.11785.4111
240N34.4Very low35.8Very low149 Ų149138.7 Ų138.780%0.79774%0.74SS**  trans-162.591.7167.5-100.4-37.5000110.9
241L34.7Very low35.3Very low156 Ų156138.8 Ų138.882%0.81775%0.745SS**  -170.6136112.8-123.166.5000112.8
242S35Very low35.2Very low92 Ų92143.8 Ų143.864%0.64376%0.763SS**  trans28.1110.5151.860.20000120.3
243N33.4Very low34.7Very low169 Ų169144.2 Ų144.290%0.90477%0.772SS**  -145.9124.6115.6-128.7-6.6000110.1
244V35.8Very low34.5Very low113 Ų113145.9 Ų145.969%0.68577%0.771SS**  trans-134.1129-169.4173.90000110.5
245P34.1Very low34.1Very low126 Ų126142.7 Ų142.782%0.81876%0.764SS**  trans-110.7117.8152.20.720.7000110.6
246N30.2Very low33.7Very low148 Ų148146.1 Ų146.179%0.79178%0.782SS**  trans-41.6135-178.1-55.2-37000116.3
247K38.4Very low33.6Very low215 Ų215145.6 Ų145.694%0.93578%0.78SS**  trans-149.1119.4135.6-111.6163.2-171.1176.40111.1
248S30.8Very low33.4Very low113 Ų113143.8 Ų143.879%0.7979%0.785SS**  trans-83.7138.8-171.150.20000114
249V34.2Very low33.3Very low140 Ų140141.8 Ų141.885%0.84878%0.782SS**  trans-146.1124.1141.6175.50000110.5
250S31.6Very low33Very low97 Ų97138.1 Ų138.168%0.67878%0.779SS**  trans23.4115.5151.7-155.70000121.1
251V33.2Very low32.9Very low128 Ų128136.7 Ų136.778%0.77677%0.771SS**  trans-99.4129154.7177.20000108.7
252K36Very low32.8Very low189 Ų189135.8 Ų135.882%0.82277%0.767SS**  trans-99.182.6169.5-78.8-169.8175.2-1770111.1I254K252-I254 PolarHBondContact O-N 3.25Å
253T32.3Very low32.9Very low107 Ų107137.4 Ų137.466%0.65677%0.773SS**  trans-71120.7163-53.50000108.6
254I33.7Very low33Very low155 Ų155134.8 Ų134.880%0.79576%0.764SS**  trans-93.3103.2170.6-61.9-179.4000107.9K252K252-I254 PolarHBondContact O-N 3.25Å
255T31.7Very low32.8Very low91 Ų91136.6 Ų136.656%0.55877%0.769SS**  trans-99.3126.5177.7-55.70000110Q257T255-Q257 HydrophobicContact CG2-CB 4.24Å
256L30.5Very low32.8Very low160 Ų160138.1 Ų138.184%0.83877%0.769SS**  trans-140.996.1166.9-63.7173.3000105
257Q32.9Very low33Very low166 Ų166141.9 Ų141.978%0.77677%0.772SS**  cis71.1101.238.4-133.8-175.334.700113.7T255T255-Q257 HydrophobicContact CG2-CB 4.24Å
258N29.5Very low32.8Very low174 Ų174137 Ų13793%0.9376%0.763SS**  trans-167.5142.8155.1-111.2-2.2000107.5
259G32.2Very low33.3Very low72 Ų72136.4 Ų136.474%0.74276%0.757SS**  cis162.892.3-4.800000111.4
260N29.2Very low33.5Very low140 Ų140138.7 Ų138.775%0.74976%0.755SS**  trans-174128.7-176.6174.4-89.1000106
261D31.2Very low33.5Very low120 Ų120140.5 Ų140.564%0.64276%0.757SS**  cis-147.1175-0.3-102.7-13.5000111.4
262N33.6Very low33.6Very low137 Ų137139.2 Ų139.273%0.73375%0.75SS**  trans85.6120.6160.7-59.2-50.9000120.5
263T35.9Very low33.6Very low126 Ų126137.1 Ų137.177%0.77375%0.748SS**  trans55.8115.5141.258.60000118.4
264T35.9Very low33.6Very low114 Ų114137 Ų13770%0.69975%0.752SS**  cis-159.6154.223.455.70000114.6
265N32.6Very low33.8Very low150 Ų150135.9 Ų135.980%0.80275%0.752SS**  trans71.6142.8144-69.3-28.3000122.7
266I34Very low34.1Very low158 Ų158139.2 Ų139.281%0.8177%0.766SS**  trans86.281.1161.4-39.6-160.1000119.4
267R33.4Very low34.9Very low228 Ų228137 Ų13786%0.8676%0.761SS**  76.789125-163.8175.3-105.8-152.8-2.9120.7
268C35.1Very low35.5Very low111 Ų111134.3 Ų134.375%0.7576%0.758SS**  -2.6160.9127.1-470000119
269P41.1Very low35.7Very low101 Ų101132.1 Ų132.166%0.65675%0.746SS**  cis-158.5154.537.840.8-17.7000122.7
270K37.1Very low35.9Very low188 Ų188136.6 Ų136.682%0.81775%0.752SS**  trans68.4155.1140-68.5167.5-165.6179.30119
271N33.3Very low36.1Very low135 Ų135135.6 Ų135.672%0.72275%0.747SS**  cis-125.8138.57.5-101.3-4.6000109.6
272T35.1Very low36.3Very low102 Ų102139 Ų13963%0.62676%0.758SS**  57.2131.677.973.40000114.6
273N35.4Very low36.1Very low144 Ų144136.7 Ų136.777%0.7776%0.758SS**  cis-127.8153.924.6-55.5-51.9000110.8
274S32.7Very low36.1Very low106 Ų106137.6 Ų137.674%0.74176%0.764SS**  62.1132.154-1550000112.7
275T37Very low35.7Very low130 Ų130137.9 Ų137.980%0.79877%0.766SS**  cis-149.7163.138.4-62.70000113.2
276L38.2Very low35.9Very low161 Ų161140.1 Ų140.184%0.84377%0.769SS**  trans-99.4-130.8-177.6-72.7161.3000113.8
277P47.9Very low35.8Very low113 Ų113138.5 Ų138.573%0.73476%0.762SS**  -116-143.4-115.141.3-21.6000110.6
278P46.2Very low36.1Very low111 Ų111133.3 Ų133.372%0.72176%0.756SS**  cis-139.1162.9-9.734.1-11.8000119.1
279N31.9Very low36.1Very low128 Ų128134.7 Ų134.768%0.68476%0.755SS**  trans5.7130.6133-173.317.9000119.6
280L37.4Very low35.8Very low166 Ų166139.9 Ų139.987%0.86976%0.762SS**  trans-148.1145.6143.3-151.573000112.1
281N33.4Very low35.9Very low119 Ų119137.4 Ų137.464%0.63676%0.756SS**  trans-84.4154.1176.3-45.2-75.4000111.5
282H35Very low36.2Very low190 Ų190136 Ų13688%0.8875%0.753SS**  -175.1158.3113.7-110.7-89.9000111.5
283A29.7Very low36.4Very low89 Ų89138 Ų13874%0.73676%0.759SS**  trans-103.9142.3175.100000111.4
284T35.4Very low36.4Very low145 Ų145137.8 Ų137.889%0.8976%0.758SS**  trans-156.3135.9158.219.20000110.6
285T27.7Very low36.7Very low120 Ų120141 Ų14174%0.73676%0.759SS**  trans-67146.6165.2-41.50000110.5
286F36.6Very low36.7Very low198 Ų198140.7 Ų140.787%0.86876%0.759SS**  trans-171.2155.6130.8-101.8-60.8000112.3
287D31.9Very low36.7Very low124 Ų124138.8 Ų138.866%0.66375%0.749SS**  trans-74.1163-174.2-52.5-99.9000114.4
288T40.5Very low36.1Very low119 Ų119137.8 Ų137.873%0.7374%0.744SS**  170.5153.599.4390000113.7
289N35.5Very low35.7Very low139 Ų139140.1 Ų140.174%0.74375%0.745SS**  trans70.3142.4147.8-76-38.4000119.2
290R34Very low36Very low211 Ų211140.8 Ų140.880%0.79675%0.749SS**  cis-168171.9-9.8-161.4177.9-178.5-144.33.4109.8
291I38.8Very low36Very low135 Ų135137.5 Ų137.569%0.69274%0.739SS**  trans7598.7167.8-48173.1000113.5
292T39.6Very low36.1Very low106 Ų106137 Ų13765%0.6575%0.745SS**  cis84.399.836.978.20000116.9
293N39Very low36.2Very low143 Ų143133.7 Ų133.777%0.76574%0.739SS**  trans-167.8109.7131.8-91.4-32.3000107.6
294N36.8Very low36.4Very low140 Ų140139.7 Ų139.775%0.74974%0.742SS**  64.3124.781.2-62.3-32.3000111.7
295K38.7Very low36.3Very low175 Ų175138.6 Ų138.676%0.76174%0.736SS**  cis-163139.221.1175-175.3179.6-176.60111.9
296P37.6Very low36.7Very low122 Ų122137.8 Ų137.879%0.79274%0.741SS**  trans-110.1147172.437.9-30.3000114.4
297I38.1Very low36.4Very low122 Ų122135.9 Ų135.963%0.62674%0.738SS**  trans-152.197.7166.1-62.7-176000105.2
298S33.6Very low36.6Very low91 Ų91136.5 Ų136.564%0.63675%0.746SS**  54.7113.476.577.20000115.2
299H39Very low36.1Very low161 Ų161136 Ų13675%0.74575%0.747SS**  trans-176.6130.4136.5-83.3-44.6000110.8
300N38.5Very low36.2Very low142 Ų142135 Ų13576%0.75975%0.752SS**  trans40.1140.2140.2-52.43.1000121.2
301S36Very low36.4Very low96 Ų96131.2 Ų131.267%0.67176%0.757SS**  cis-172.8157.6-7.2-96.30000110.3
302S36.9Very low36.2Very low108 Ų108127.9 Ų127.976%0.75576%0.756SS**  trans50.5142.1139.3-620000123.1
303T35.8Very low36.1Very low122 Ų122130.3 Ų130.375%0.74876%0.764SS**  cis-168.1165.1-27.7-17.10000109.6
304R34Very low35.9Very low215 Ų215129.5 Ų129.581%0.81176%0.758SS**  trans6893.7154.9-66.5-177.992-130.96120.3
305T33.6Very low35.9Very low122 Ų122129.5 Ų129.575%0.74876%0.758SS**  45.7115.111957.70000121.2
306A35.7Very low35.7Very low102 Ų102130.6 Ų130.684%0.84376%0.759SS**  trans-138.8154.9131.500000108.4
307I30.7Very low35.6Very low158 Ų158130 Ų13081%0.8176%0.755SS**  trans-115.9126.1-172.4-54.8169.1000109.5
308V35.9Very low35.3Very low137 Ų137129.1 Ų129.183%0.8376%0.76SS**  trans-139.4133.9165.6-177.40000108.6
309S30.7Very low35.2Very low109 Ų109131.2 Ų131.276%0.76276%0.764SS**  trans-92.4141.3-177.4-52.80000111.9
310S37.9Very low34.9Very low119 Ų119127.7 Ų127.783%0.83276%0.757SS**  trans-126.8117.4171.1-58.10000110.4
311S37.4Very low34.6Very low130 Ų130129.6 Ų129.691%0.90976%0.759SS**  trans-70.3157.4177.3-51.70000112
312G34.3Very low34.3Very low66 Ų66130.1 Ų130.168%0.6876%0.758SS**  cis-177.3135.2-6.400000110.8
313I37.6Very low34Very low156 Ų156131.5 Ų131.580%0.876%0.757SS**  trans-91.5108.8-179.1-59.5175.1000108.8N315I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 3.07Å; I313-N315 VanDerWaalsContact O-N 3.08Å
314I34.8Very low33.9Very low126 Ų126131.5 Ų131.565%0.64676%0.757SS**  trans-81.782.2170.6-55.1179.7000108.4Y316I314-Y316 HydrophobicContact CG2-CD2 4.44Å; I314-Y316 HydrophobicContact CG2-CE1 4.35Å; I314-Y316 HydrophobicContact CG2-CE2 4.23Å; I314-Y316 PolarHBondContact O-N 2.93Å
315N36.1Very low34Very low140 Ų140128.5 Ų128.575%0.74976%0.762SS**  trans-71.1114.4156.5-88.85.5000107.4I313 P317I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 3.07Å; I313-N315 VanDerWaalsContact O-N 3.08Å; N315-P317 WeakPolarHBondContact O-CD 2.96Å
316Y35Very low34.1Very low199 Ų199127.8 Ų127.878%0.7876%0.763SS**  trans-66.5120.2170.5-67.5-88.7000109.4I314I314-Y316 HydrophobicContact CG2-CD2 4.44Å; I314-Y316 HydrophobicContact CG2-CE1 4.35Å; I314-Y316 HydrophobicContact CG2-CE2 4.23Å; I314-Y316 PolarHBondContact O-N 2.93Å
317P36.5Very low34.3Very low109 Ų109128.9 Ų128.971%0.70876%0.761SS**  trans-70.7131.716929.9-32.4000108.9N315 N319N315-P317 WeakPolarHBondContact O-CD 2.96Å; P317-N319 PolarHBondContact O-N 3.2Å
318S32.2Very low34.8Very low104 Ų104128.2 Ų128.273%0.72776%0.764SS**  trans-64.1114.9169.449.50000109.3S320S318-S320 PolarHBondContact O-N 3.29Å
319N31.5Very low34.7Very low134 Ų134125 Ų12572%0.71776%0.759SS**  trans-75.163.9-176.8-113.87.6000112.3P317 F321P317-N319 PolarHBondContact O-N 3.2Å; N319-F321 PolarHBondContact O-N 3.07Å
320S32.6Very low34.9Very low88 Ų88125.4 Ų125.462%0.61576%0.762SS**  trans-84.783172.355.80000110.3S318 T322S318-S320 PolarHBondContact O-N 3.29Å; S320-T322 VanDerWaalsContact C-N 3.33Å; S320-T322 PolarHBondContact O-N 2.95Å
321F30.5Very low34.7Very low181 Ų181127.4 Ų127.479%0.79476%0.762SS**  trans-68.487176-85.7-78.4000111.9N319N319-F321 PolarHBondContact O-N 3.07Å
322T30.1Very low34.6Very low107 Ų107126 Ų12666%0.65675%0.752SS**  trans-139.7164.6166.756.10000109S320S320-T322 VanDerWaalsContact C-N 3.33Å; S320-T322 PolarHBondContact O-N 2.95Å
323N31Very low34.5Very low137 Ų137127.5 Ų127.573%0.73375%0.752SS**  trans70.495.9-179.8-55.7-34.7000114.6
324T33.3Very low34.3Very low123 Ų123126.3 Ų126.376%0.75575%0.752SS**  76.3119.375.362.10000115.1
325V35.7Very low34.3Very low151 Ų151125.3 Ų125.392%0.91575%0.752SS**  trans-111.7148.3156.6177.70000108
326S35.8Very low34Very low108 Ų108128.9 Ų128.976%0.75576%0.755SS**  trans-87.6160.5-163.6-65.70000114.8
327P40.6Very low33.8Very low124 Ų124124 Ų12481%0.80575%0.75SS**  trans-97163.8-167.338.2-37.1000115.5
328V40.7Very low33.4Very low144 Ų144126.3 Ų126.387%0.87376%0.756SS**  trans-144.8131.9168.2-74.90000111.4
329G34.1Very low33.5Very low71 Ų71126 Ų12673%0.73275%0.754SS**  trans66.4126.8172.400000116.2
330S35.6Very low33.7Very low117 Ų117127.4 Ų127.482%0.81876%0.76SS**  cis57122.524.9-49.40000112.8
331L33.9Very low33.7Very low161 Ų161126.1 Ų126.184%0.84376%0.76SS**  cis-136.416222.3-73.8168.4000115.8
332S35.4Very low33.8Very low99 Ų99125.2 Ų125.269%0.69276%0.764SS**  trans-47.5166.1153.448.10000115.6
333S31.6Very low33.9Very low98 Ų98124.7 Ų124.769%0.68576%0.764SS**  cis177.8177.5-15.6600000108.8
334V33.1Very low34.1Very low132 Ų132125.8 Ų125.880%0.877%0.769SS**  trans69.6137.3151.5156.80000117.2
335V34.3Very low34.1Very low105 Ų105126 Ų12664%0.63677%0.766SS**  cis-165.6151.1-17.697.90000111.1
336R30.3Very low34.1Very low215 Ų215123.9 Ų123.981%0.81175%0.748SS**  trans50.2116.8155.7-69.9174.5-172.1145.33122.5
337S30.1Very low34.1Very low97 Ų97121.6 Ų121.668%0.67873%0.728SS**  96.5136.2112.2-70.80000122.4
338N29.4Very low34Very low156 Ų156120.9 Ų120.983%0.83471%0.714SS**  trans68.9117152.6-57.1-0.4000118.8
339S34.6Very low33.9Very low99 Ų99118.2 Ų118.269%0.69270%0.699SS**  153.2118104.4-170.20000114.2
340I35.4Very low34Very low162 Ų162121.8 Ų121.883%0.83171%0.707SS**  trans51.2101.1143-54.3172.3000118.9
341G31.4Very low33.9Very low61 Ų61121.2 Ų121.263%0.62970%0.703SS**  81.3129.9106.600000121.9
342N33.4Very low33.9Very low163 Ų163121.7 Ų121.787%0.87271%0.705SS**  trans68.3150.2156.3-59.4-10.7000117.7
343S32.3Very low33.7Very low95 Ų95123 Ų12366%0.66471%0.709SS**  cis-170.6167.9-16.3510000111.2
344L35.9Very low33.9Very low160 Ų160124.7 Ų124.784%0.83872%0.715SS**  trans69.290.2156.4-65.8158.4000121.9
345N31.8Very low34Very low127 Ų127123 Ų12368%0.67971%0.709SS**  22.2149.1118.5-158.718.2000123.2
346I36.6Very low34.1Very low107 Ų107123.9 Ų123.955%0.54972%0.72SS.*  trans129.384.7146.3-58.8178.8000121.3
347N36.1Very low34.4Very low60 Ų60116.7 Ų116.732%0.32171%0.713SS.*  75.4103.9111-51.1-3.6000131.1N474 N475N347-N474 VanDerWaalsContact N-CB 3.32Å; N347-N475 HydrophobicContact CB-CB 4.06Å; N347-N475 WeakPolarHBondContact CB-ND2 3.12Å; N347-N475 PolarHBondContact ND2-ND2 2.98Å; N347-N475 PolarHBondContact ND2-OD1 2.97Å; N347-N475 WeakPolarHBondContact OD1-CB 3.36Å; N347-N475 PolarHBondContact OD1-ND2 3.44Å; N347-N475 PolarHBondContact OD1-OD1 3.01Å
348Q37.3Very low34.6Very low109 Ų109120 Ų12051%0.50972%0.722SS.*  trans67169.9135.5-114.1-151.720.100126.5N474 N475 V476Q348-N474 WeakPolarHBondContact CA-O 3.46Å; Q348-N474 WeakPolarHBondContact CB-O 3.25Å; Q348-N474 WeakPolarHBondContact CG-O 3.47Å; Q348-N474 PolarHBondContact N-O 2.91Å; Q348-N475 VanDerWaalsContact CB-O 3.23Å; Q348-N475 WeakPolarHBondContact CB-O 3.48Å; Q348-N475 VanDerWaalsContact CD-C 3.44Å; Q348-N475 WeakPolarHBondContact CG-O 3.28Å; Q348-N475 PolarHBondContact NE2-O 3.29Å; Q348-N475 VanDerWaalsContact NE2-O 3.15Å; Q348-N475 PolarHBondContact OE1-O 3.12Å; Q348-V476 PolarHBondContact NE2-O 2.8Å; Q348-V476 PolarHBondContact OE1-O 2.85Å
349P40.4Very low35Very low88 Ų88119.6 Ų119.657%0.57172%0.718SS**  -139.9-150.3-11451-29.1000114.9
350T36.2Very low35.1Very low146 Ų146122.6 Ų122.690%0.89672%0.721SS**  trans-156.1170142-50000112
351S33.1Very low35.1Very low106 Ų106118 Ų11874%0.74171%0.714SS**  trans-128161.5-173.256.10000113.5
352I33.2Very low35.4Very low171 Ų171123.4 Ų123.488%0.87772%0.723SS**  trans-154.9152.9166.2-99.3146000109.6
353T30.9Very low35.6Very low127 Ų127120.1 Ų120.178%0.77971%0.713SS**  trans-130.9141.5-167.6-610000112.5
354T35.4Very low35.8Very low133 Ų133120.8 Ų120.882%0.81672%0.717SS**  trans-164.1166.5161.827.80000110.8
355S35.1Very low35.8Very low96 Ų96117.8 Ų117.867%0.67171%0.71SS**  -166.7163.1-89.948.50000112.2
356S36.7Very low35.8Very low124 Ų124116.8 Ų116.887%0.86772%0.719SS**  trans79.8137.7168.6-50.60000118.3
357G36.7Very low35.8Very low63 Ų63119.4 Ų119.465%0.64973%0.733SS**  cis166.1158.8-12.500000116.1
358L34.4Very low35.7Very low167 Ų167123.3 Ų123.387%0.87475%0.754SS**  trans62.3155.7163-67.782.2000117.5
359I38Very low35.8Very low147 Ų147124 Ų12475%0.75477%0.765SS**  cis-129.6166.319.3-71.6175.2000112.2
360Q36.4Very low35.6Very low163 Ų163126.4 Ų126.476%0.76277%0.766SS**  trans-46.8161.7175.4-62139.7-7600117
361G35.8Very low35.4Very low66 Ų66129.3 Ų129.368%0.6876%0.761SS**  cis158.8178-5.700000114.5
362E37.6Very low35.3Very low174 Ų174134.8 Ų134.881%0.81377%0.765SS**  trans65.3138.1159.5-64.3173.8-13600119
363S38.7Very low35.3Very low94 Ų94131.6 Ų131.666%0.65776%0.759SS**  cis-154.8139.6-1.6-109.50000113.1
364S36.6Very low35.6Very low108 Ų108130.8 Ų130.876%0.75575%0.753SS**  trans49147.7135.8-53.60000122.9
365S34.9Very low35.5Very low97 Ų97131.1 Ų131.168%0.67875%0.75SS**  cis-177.2133.4-25.449.70000107.8
366A31.3Very low35.6Very low107 Ų107134.9 Ų134.988%0.88476%0.755SS**  trans-80.8133.9168.100000110.7
367I36.7Very low35.6Very low162 Ų162136.2 Ų136.283%0.83175%0.747SS**  trans-123.6142161.4-63.3-175.8000108.4
368N34.7Very low35.3Very low142 Ų142139.8 Ų139.876%0.75975%0.751SS**  trans-97.4-161.7-167.4-146.1-54.6000110.9
369V39.2Very low35.5Very low123 Ų123136.6 Ų136.675%0.74574%0.743SS**  trans80.791.3176.4-167.20000112.8
370K35.6Very low35.2Very low139 Ų139139.3 Ų139.360%0.60475%0.745SS**  69.1105.251.4-166.4-165.4-178.4-174.80112.8
371W32.6Very low35.2Very low206 Ų206141.1 Ų141.178%0.7875%0.753SS**  -169.8175.2112.6-89.7118.6000110.5
372R30.1Very low34.8Very low221 Ų221146 Ų14683%0.83476%0.763SS**  trans-95.3158-169.4-56.6172.6171.1-143.3-1.7111.9
373S34.4Very low34.8Very low105 Ų105143.1 Ų143.173%0.73476%0.762SS**  -173.5133.7107-100.50000115.6
374T37.6Very low34.6Very low109 Ų109148.1 Ų148.167%0.66977%0.772SS**  trans39.3114.2143.661.40000121.5
375D32.4Very low34.7Very low140 Ų140149.3 Ų149.375%0.74977%0.774SS**  42.1118.9114.9-38.7-49.7000119.5
376K36.8Very low35Very low176 Ų176152.1 Ų152.177%0.76578%0.776SS**  179.1148.6104.1-101.4174.2172.4-159.50117.1
377H36.6Very low35.4Very low152 Ų152154 Ų15470%0.70477%0.772SS**  trans56.1114.7152.8-66.6-61.1000121.3
378D31.8Very low35.5Very low137 Ų137150 Ų15073%0.73377%0.77SS**  trans-63.1133.2143.3-40.4-97.8000111.1
379S37.1Very low35.7Very low101 Ų101150.3 Ų150.371%0.70677%0.772SS**  trans-165.2103146.560.20000112.2
380Y33.2Very low36Very low204 Ų204152 Ų15280%0.878%0.777SS**  trans-41.7131.8155.513.8-100.5000113.9
381E34.6Very low36.2Very low201 Ų201149 Ų14994%0.93979%0.785SS**  trans-156.3165148.4-138.6172-154.600112.6
382L28.2Very low36.7Very low168 Ų168146.4 Ų146.488%0.8879%0.786SS**  trans-129.1124.8-168.2-92.1152.1000112.5
383S36.8Very low37.5Very low113 Ų113140.9 Ų140.979%0.7978%0.777SS**  trans-169125.9152.126.60000108.6
384K35.1Very low37.8Very low200 Ų200145.4 Ų145.487%0.8778%0.783SS**  5711970.1-79.8-172.6172.2-179.40113.8
385V38.5Very low37.6Very low132 Ų132145.4 Ų145.480%0.879%0.788SS**  -176.8123.9126.6141.10000113
386H41.3Very low38.1Very low157 Ų157145.6 Ų145.673%0.72779%0.788SS**  trans73.1142.8147.8-81.353.7000125.2
387N39.9Very low38.2Very low147 Ų147143.3 Ų143.379%0.78678%0.784SS**  trans65.8137.2160.6-50.7-15.5000116.3
388G39.4Very low38.3Very low77 Ų77144.3 Ų144.379%0.79480%0.795SS**  cis108.7135.621.400000108.9
389D39.4Very low38.9Very low149 Ų149143.2 Ų143.280%0.79779%0.794SS**  cis-160.8156.99-165.715.6000110.1
390D44.2Very low38.8Very low159 Ų159145.2 Ų145.285%0.8580%0.796SS**  trans42.8166169-88.6-20.6000122.4
391G41Very low38.9Very low75 Ų75143.2 Ų143.277%0.77380%0.799SS**  trans13536.9156.600000122.4
392D43Very low39.2Very low151 Ų151140.9 Ų140.981%0.80779%0.787SS**  trans43.7134.1147.6-105.9-32.4000125.2
393T45.4Very low39.5Very low105 Ų105142.4 Ų142.464%0.64478%0.782SS**  trans72.298.8149.161.10000124.3
394K40.6Very low39.5Very low200 Ų200144.5 Ų144.587%0.8778%0.783SS**  69.3140.6125.2-63.8177.2-178.1173.80122.5
395S35.3Very low39.7Very low109 Ų109140.8 Ų140.876%0.76278%0.777SS**  trans93.3160.7156.2-1500000117.6
396L42.4Very low39.5Very low145 Ų145137.3 Ų137.376%0.75977%0.768SS**  trans64.2142.8-167.3-64.488.7000115.4
397D37.7Very low39.3Very low127 Ų127139.5 Ų139.568%0.67977%0.771SS**  cis-156.8124.2-29.8-113.8-23.8000109.1
398N39.3Very low39.2Very low174 Ų174138 Ų13893%0.9377%0.768SS**  trans-119.984.1179.9-87.8-32.3000111.2
399T45.1Very low39.4Very low114 Ų114140.2 Ų140.270%0.69977%0.766SS**  trans-80.5141167.453.10000109.5
400N35.1Very low39.2Very low142 Ų142140.6 Ų140.676%0.75977%0.768SS**  cis-137.5141.70.8-84.4-56.2000111.2
401L34.6Very low39Very low163 Ų163142.9 Ų142.985%0.85377%0.765SS**  trans-103.7126164.5-88168.9000110.9
402Q40.7Very low39.2Very low151 Ų151145.1 Ų145.171%0.70677%0.765SS**  trans-176.4142.2161.5-102.8150.596.900108.5
403R35Very low38.9Very low201 Ų201147.9 Ų147.976%0.75877%0.765SS**  cis-159.6107.5-0.7-172.6-179.1-61.1-171.30.5105.8
404L35.8Very low38.8Very low157 Ų157152 Ų15282%0.82278%0.777SS**  68.2131.578.6-160.378.1000114.6
405V39.4Very low38.7Very low121 Ų121148.8 Ų148.873%0.73377%0.774SS**  trans72133.4176.7-158.70000115.3Y407V405-Y407 HydrophobicContact CG1-CD2 4.04Å; V405-Y407 HydrophobicContact CG1-CE2 3.79Å
406G35.9Very low38.6Very low60 Ų60146.5 Ų146.562%0.61977%0.768SS**  cis165.7176.4-7.300000112.7
407Y36.5Very low38.6Very low202 Ų202151.1 Ų151.179%0.79278%0.775SS**  trans6699.1163-55.4-72.4000117.8V405V405-Y407 HydrophobicContact CG1-CD2 4.04Å; V405-Y407 HydrophobicContact CG1-CE2 3.79Å
408T38.5Very low38.6Very low116 Ų116155.8 Ų155.871%0.71278%0.783SS**  83.8144.880.453.50000115.9
409T41.6Very low38.5Very low124 Ų124155.3 Ų155.376%0.76178%0.779SS**  trans61.1132.1172.440.90000115.8
410D36.5Very low38.6Very low156 Ų156155.7 Ų155.783%0.83478%0.784SS**  cis-150.5170.628.2-101-42.7000114.7
411R38.9Very low38.7Very low208 Ų208155.3 Ų155.379%0.78579%0.787SS**  trans-145.8119.1174179.2-171.6-179.5-179.37.2113.6
412P46.6Very low39Very low121 Ų121157.1 Ų157.179%0.78679%0.788SS**  trans-76.5148.2163.4-16.832.5000113.6
413R36.5Very low38.8Very low210 Ų210157.5 Ų157.579%0.79279%0.794SS**  trans-120.6-178.9164.8-73.1176.769.5-1722.7108.8
414Q42.8Very low38.7Very low192 Ų192153 Ų15390%0.89779%0.793SS**  trans78.1143.5178.1-49.1-178-3.900113.4
415T38.7Very low38.5Very low131 Ų131153.5 Ų153.580%0.80480%0.797SS**  cis-134.4160.6-11.846.70000107.6
416G33.6Very low38.4Very low62 Ų62151.6 Ų151.664%0.63979%0.794SS**  cis110.7133.123.300000110.5
417R41.6Very low38.6Very low241 Ų241154.3 Ų154.391%0.90980%0.798SS**  trans81.5146.2-169.5-52171.8-178.9-163.90.5113.8
418R38.7Very low38.6Very low225 Ų225152 Ų15285%0.84980%0.8SS**  cis-159.6146.6-11.6-117.5174.1179.6-123.12.1109.6
419L37.4Very low38.5Very low164 Ų164151.3 Ų151.386%0.85981%0.806SS**  trans-82.5146.5164.6-76.6166.7000111.1
420P46.6Very low38.1Very low122 Ų122149.9 Ų149.979%0.79281%0.807SS**  trans-109.4113.9165.934.7-24.2000112.2
421T37.5Very low38.3Very low134 Ų134148.1 Ų148.182%0.82280%0.804SS**  trans-102.6122.7164.435.40000110.7
422K40.2Very low38.1Very low202 Ų202145.2 Ų145.288%0.87880%0.804SS**  trans-142115.4157.4-69.4-170.4175.9-1740105.6
423L37.1Very low37.6Very low159 Ų159149.2 Ų149.283%0.83281%0.809SS**  55.6122.761.2-78.8166.3000113.9
424S32.1Very low37.4Very low105 Ų105146.3 Ų146.373%0.73481%0.808SS**  trans50.1115.2166.860.70000118.1
425N32.1Very low37.2Very low168 Ų168145.7 Ų145.790%0.89881%0.805SS**  -148.9148.6105.6-105.4-0.8000111
426A37.9Very low36.9Very low81 Ų81144 Ų14467%0.66979%0.794SS**  trans-120.8167.217200000109.4
427T39.5Very low37.2Very low117 Ų117149.3 Ų149.372%0.71881%0.807SS**  trans60.6107.4162.549.10000119.4
428N35.4Very low37Very low153 Ų153144.4 Ų144.482%0.81880%0.799SS**  92.6151.7125.6-58.6-8.9000121.4
429A36.3Very low37.1Very low103 Ų103140.3 Ų140.385%0.85180%0.799SS**  trans75.7111.8169.800000118.2
430A33.9Very low37.1Very low93 Ų93138 Ų13877%0.76979%0.794SS**  trans-79.9171.3157.500000110.3
431P40.3Very low36.8Very low120 Ų120140.7 Ų140.778%0.77980%0.8SS**  -143.1-175.282.540.3-24.4000115
432D34.5Very low36.6Very low146 Ų146145.4 Ų145.478%0.78180%0.803SS**  trans-59.3148.2-172.7-45-84.5000116.1
433F36.2Very low36.3Very low205 Ų205141 Ų14190%0.89980%0.797SS**  trans-152.8121.4142.6-106.9-73000111.2
434I33.2Very low36.4Very low149 Ų149139 Ų13976%0.76480%0.797SS**  trans-92.2126.6168.2-62.2171.6000107.8
435H38.6Very low36.5Very low179 Ų179141.8 Ų141.883%0.82980%0.801SS**  trans-155138.5148.3-104.2-61.5000114.1
436T32.7Very low36.7Very low95 Ų95140.4 Ų140.458%0.58380%0.799SS**  trans-69.7146.2-173.4-40.10000114.3
437L39.6Very low36.5Very low175 Ų175141.6 Ų141.692%0.91681%0.809SS**  trans-126116.8151.5-82.3173.8000110.1
438N36.7Very low36.4Very low137 Ų137142 Ų14273%0.73382%0.817SS**  trans-110.6136.4174.6-83-37000109.5
439T40.8Very low36.7Very low139 Ų139144.3 Ų144.385%0.85382%0.819SS**  trans-136.192171.642.10000112
440P38Very low37.3Very low115 Ų115143.7 Ų143.775%0.74781%0.806SS**PPolyproline II helixtrans-92.9124.1169.933.5-28.7000111.2
441I39.7Very low37.5Very low179 Ų179145.3 Ų145.392%0.91880%0.802SS**PPolyproline II helixtrans-78126.1170.6-63.8177.4000108.7
442R33.9Very low37.3Very low234 Ų234146 Ų14688%0.88380%0.799SS**PPolyproline II helixtrans-101.8134-174.1-177.6176.7176177.6-0.1111.5
443S34.4Very low37.4Very low109 Ų109142.2 Ų142.276%0.76279%0.789SS**PPolyproline II helixtrans-72.1153174.8490000112.9
444S38.2Very low37.5Very low118 Ų118140.8 Ų140.883%0.82578%0.784SS**  trans-129.2129.517152.90000109.9
445I35.6Very low37.6Very low163 Ų163138.8 Ų138.884%0.83678%0.779SS**  trans-124.3122.3170.4-64.5176.4000106
446T36.4Very low37.5Very low139 Ų139139.8 Ų139.885%0.85378%0.777SS**  trans-90.5141.9173.542.90000110
447A31.7Very low37.5Very low105 Ų105141.7 Ų141.787%0.86878%0.784SS**  trans-99.4149.2-174.200000112.5
448S39.1Very low37.4Very low126 Ų126137.7 Ų137.788%0.88178%0.776SS**  trans-134.6131.4156.949.80000110.2
449K40.8Very low37.5Very low201 Ų201136.9 Ų136.987%0.87478%0.778SS**  trans-123.2-173.1-178.9-137.1-174179.9-173.70104.3
450P48.1Very low37.3Very low90 Ų90136.1 Ų136.158%0.58477%0.773SS**  cis-145.1-162.5-1.345.2-25.1000115.2
451N39.4Very low37Very low128 Ų128136 Ų13668%0.68477%0.77SS**  trans67154.6151.3-73.127.6000117.9
452D35.7Very low36.8Very low134 Ų134138.3 Ų138.372%0.71777%0.768SS**  cis-162.8165.3-4.6-103.1-18.3000108
453A37.3Very low36.8Very low67 Ų67132.2 Ų132.255%0.55476%0.756SS**  cis-166.3-171.2-12.200000110.2
454H38.2Very low36.7Very low174 Ų174134 Ų13481%0.80676%0.757SS**  trans27147.1144.8-60.8-40.4000123.1
455V35.3Very low36.5Very low108 Ų108134.3 Ų134.366%0.65575%0.754SS**  cis-167138.1-1.71270000111
456Y35.5Very low36.4Very low199 Ų199130.8 Ų130.878%0.7875%0.749SS**  trans52148.8150.5-75.6-112.5000125.8
457D33.8Very low36.2Very low136 Ų136129.8 Ų129.873%0.72775%0.747SS**  trans69.5100.3143.9-65.2-16.3000124.6
458A36Very low36.3Very low91 Ų91132.8 Ų132.875%0.75275%0.747SS**  71.9141.2114.100000121.2
459P39.7Very low36Very low120 Ų120131.8 Ų131.878%0.77974%0.74SS**  trans-97.2165.6-17439.3-36.8000113.9
460T35.5Very low35.8Very low122 Ų122128.1 Ų128.175%0.74874%0.735SS**  trans177.7145.9130.5-79.80000113.3
461T32.8Very low35Very low113 Ų113130.9 Ų130.969%0.69374%0.744SS**  trans63.1130.6163.446.70000123
462R35.1Very low34.9Very low228 Ų228131.3 Ų131.386%0.8674%0.742SS**  trans68.2157.4135.8-72176.8164.5-179.2-5119
463T33.2Very low34.9Very low105 Ų105130.6 Ų130.664%0.64473%0.734SS**  cis174.7152.6-25.6-85.30000105.1
464N32.8Very low34.9Very low146 Ų146130.7 Ų130.778%0.78173%0.726SS**  trans70.7155.8174.7-65.2-17.7000115.3
465V35.4Very low34.7Very low126 Ų126125.2 Ų125.276%0.76470%0.702SS**  cis-159.6164-9-105.10000109.9
466A33.6Very low34.8Very low88 Ų88125.3 Ų125.373%0.72770%0.703SS**  trans67.1131.2160.400000117.2
467C31Very low34.7Very low119 Ų119118.6 Ų118.680%0.80469%0.694SS**  cis106.8155.327-75.10000112.6
468L33.6Very low35Very low168 Ų168117.5 Ų117.588%0.8870%0.697SS**  trans76.5141.6-176.2-46.7176.4000113.7
469S34.1Very low35Very low104 Ų104121.3 Ų121.373%0.72770%0.702SS**  cis154151.7-12.9-91.70000105.4
470V34.9Very low34.9Very low125 Ų125121.5 Ų121.576%0.75871%0.705SS**  cis-159.5172-2.6123.40000109.7
471N32.8Very low34.9Very low148 Ų148121.6 Ų121.679%0.79171%0.706SS**  trans-70-177.5-172.9-34.2-45.4000116.1
472H37.5Very low35.3Very low136 Ų136122.6 Ų122.663%0.6371%0.707SS**  cis-144.5-132.1-1.9-155-12.9000112.3N474H472-N474 PolarHBondContact CD2-ND2 2.93Å; H472-N474 VanDerWaalsContact CD2-ND2 3.33Å; H472-N474 PolarHBondContact CE1-ND2 2.96Å; H472-N474 PolarHBondContact NE2-ND2 2.92Å
473E35.6Very low35.5Very low119 Ų119119.1 Ų119.156%0.55670%0.701SS**  cis-161.91341-134105.3-121.400107.3
474N36Very low35.9Very low70 Ų70122.6 Ų122.637%0.37471%0.714SS.*  73142.176.5-59.8-27.7000119.1N347 Q348 H472N347-N474 VanDerWaalsContact N-CB 3.32Å; Q348-N474 WeakPolarHBondContact CA-O 3.46Å; Q348-N474 WeakPolarHBondContact CB-O 3.25Å; Q348-N474 WeakPolarHBondContact CG-O 3.47Å; Q348-N474 PolarHBondContact N-O 2.91Å; H472-N474 PolarHBondContact CD2-ND2 2.93Å; H472-N474 VanDerWaalsContact CD2-ND2 3.33Å; H472-N474 PolarHBondContact CE1-ND2 2.96Å; H472-N474 PolarHBondContact NE2-ND2 2.92Å
475N34.3Very low36.1Very low59 Ų59122.2 Ų122.232%0.31671%0.711SS.*  trans126.858.4134.4173.3149.2000128.4N347 Q348N347-N475 HydrophobicContact CB-CB 4.06Å; N347-N475 WeakPolarHBondContact CB-ND2 3.12Å; N347-N475 PolarHBondContact ND2-ND2 2.98Å; N347-N475 PolarHBondContact ND2-OD1 2.97Å; N347-N475 WeakPolarHBondContact OD1-CB 3.36Å; N347-N475 PolarHBondContact OD1-ND2 3.44Å; N347-N475 PolarHBondContact OD1-OD1 3.01Å; Q348-N475 VanDerWaalsContact CB-O 3.23Å; Q348-N475 WeakPolarHBondContact CB-O 3.48Å; Q348-N475 VanDerWaalsContact CD-C 3.44Å; Q348-N475 WeakPolarHBondContact CG-O 3.28Å; Q348-N475 PolarHBondContact NE2-O 3.29Å; Q348-N475 VanDerWaalsContact NE2-O 3.15Å; Q348-N475 PolarHBondContact OE1-O 3.12Å
476V37.6Very low36.3Very low109 Ų109126.1 Ų126.166%0.66172%0.718SS**  trans64.9158142.1167.50000122.9Q348Q348-V476 PolarHBondContact NE2-O 2.8Å; Q348-V476 PolarHBondContact OE1-O 2.85Å
477G34.3Very low36.5Very low59 Ų59127.7 Ų127.761%0.60872%0.724SS**  trans176.373.6153.600000120.2
478S39.5Very low37Very low113 Ų113128 Ų12879%0.7973%0.727SS**  trans55.9166.3153.161.10000120.7
479M35.9Very low37Very low171 Ų171128.2 Ų128.284%0.84272%0.724SS**  cis-165.9150.1-27.5-105.4-179.667.100108.7
480S37.4Very low37.2Very low123 Ų123129.1 Ų129.186%0.8673%0.73SS**  trans169.4155.3135.4-79.50000112.9
481T36.7Very low37.2Very low125 Ų125128.4 Ų128.477%0.76773%0.726SS**  trans-116.8158-175.740.70000112
482D40.1Very low37.4Very low134 Ų134132.5 Ų132.572%0.71773%0.732SS**  -166.1141.9116.9-110.1-36.2000117.1
483Q39.1Very low37.3Very low155 Ų155134.9 Ų134.972%0.72474%0.741SS**  trans25.5120.9153.1-67.916170.400122.8
484I41.6Very low37.6Very low177 Ų177137.4 Ų137.491%0.90875%0.752SS**  trans-136.6121.5134.7-63.7-175.3000109.1
485D37.3Very low37.7Very low138 Ų138142.2 Ų142.274%0.73877%0.773SS**  trans-80.1143.8170.4-94.2-49.3000113.1
486K40.3Very low37.6Very low209 Ų209142.9 Ų142.991%0.90979%0.794SS**  -167.6134.6125.4-106.3152.4-171.3168.20113.3
487S36.6Very low37.6Very low120 Ų120149.8 Ų149.884%0.83981%0.808SS**  trans-90157.9-175.446.80000113.4
488S42.4Very low37.8Very low125 Ų125153.4 Ų153.487%0.87482%0.818SS**  trans-130117.117159.80000110.1
489E33.8Very low37.9Very low173 Ų173153 Ų15381%0.80881%0.813SS**  trans-116.9123.2-176.7-178.3-178.3179.100110.5
490S38.1Very low38.1Very low124 Ų124149.8 Ų149.887%0.86781%0.807SS**  trans-157.284.9163.2-35.80000112.4
491T34.8Very low38.2Very low109 Ų109152.7 Ų152.767%0.66981%0.807SS**  trans-25.8129.8158.5-63.60000116.4
492Y36.2Very low38.3Very low234 Ų234150.8 Ų150.892%0.91880%0.804SS**  trans-146.5118136-108.7-79.1000111.1
493K35.8Very low38.3Very low187 Ų187150.7 Ų150.781%0.81381%0.809SS**  trans-130.9122.4170.2-92-171.2177179.40108.7
494Q42Very low38Very low171 Ų171151.1 Ų151.180%0.79982%0.816SS**  trans171.3142.3162.2-106.6-177.691.100107.9
495Q38Very low38.4Very low171 Ų171148.4 Ų148.480%0.79981%0.81SS**  cis-134.9165.7-5.7-74.8165.65.200108.8
496G31.3Very low38.6Very low74 Ų74147.9 Ų147.976%0.76382%0.817SS**  trans-121.1141.2171.500000112.6
497R38.1Very low38.3Very low253 Ų253149.9 Ų149.996%0.95582%0.819SS**  trans-142143.5158.6-84.3-167.8172.5-171.9-2.3110.2
498T38.3Very low38.4Very low135 Ų135149 Ų14983%0.82882%0.819SS**  trans-107.2-166.5178.653.90000108.1
499P43.3Very low38.2Very low105 Ų105147.7 Ų147.768%0.68282%0.815SS**  cis-141.1179243.1-24.4000117.5
500S38.2Very low38.4Very low103 Ų103144.8 Ų144.872%0.7281%0.814SS**  trans57.8165.1155.5640000117.4
501H40.1Very low38.5Very low185 Ų185146.1 Ų146.186%0.85681%0.81SS**  cis-153.9171.5-0.7-126.8-21.9000107.4
502A38.8Very low38.7Very low85 Ų85148.8 Ų148.870%0.70282%0.815SS**  cis-151.1-136.75.400000112.6
503T39.6Very low38.7Very low132 Ų132142 Ų14281%0.8180%0.802SS**  trans-103.1150.7-165.739.70000116.7
504N34.2Very low38.9Very low164 Ų164138.4 Ų138.488%0.87780%0.8SS**  trans-79.2150158.7-73.2-42000112.3
505P50Low38.8Very low120 Ų120139.3 Ų139.378%0.77981%0.805SS**  trans-114.4126.1165.835.8-25.6000115.2
506S40.6Very low38.8Very low126 Ų126136.5 Ų136.588%0.88180%0.804SS**  trans11.9134.2150.4-55.70000124.3
507R33.4Very low39.6Very low252 Ų252138 Ų13895%0.95180%0.803SS**  trans-67126.4158.9168.8-168-172.5175.82.9113.1
508A39.9Very low40.1Very low102 Ų102132 Ų13284%0.84379%0.79SS**  trans-154.6162161.700000109.9
509A37.6Very low40.5Very low96 Ų96127.6 Ų127.679%0.79377%0.772SS**  trans-140.3142.7-172.700000113.7
510S37.6Very low40.8Very low112 Ų112127.5 Ų127.578%0.78377%0.773SS**  trans-172.7139.9141.2-83.20000111.6
511L41.5Very low41.7Very low152 Ų152126.5 Ų126.580%0.79676%0.763SS**  trans24.6141.3135.1-50.8175.3000118.7
512Q38.6Very low42.3Very low165 Ų165124.2 Ų124.277%0.77175%0.753SS**  cis-162.8149.938.5-148.6161.529.500113.9
513S36.6Very low43Very low91 Ų91126.2 Ų126.264%0.63675%0.751SS**  trans46.1121.3150.6570000122.9
514S40.4Very low43.9Very low112 Ų112124.1 Ų124.178%0.78374%0.735SS**  trans67.5147.8138.761.30000119.3
515E38.9Very low45.3Very low190 Ų190124.6 Ų124.689%0.88872%0.724SS**  cis-124.5-17514-76.3-173.4123.600114.8
516S39.1Very low46.2Very low112 Ų112122.2 Ų122.278%0.78371%0.71SS**  trans-70.5165.8-165.253.40000118.6
517S46.8Very low47.6Very low106 Ų106119.4 Ų119.474%0.74169%0.691SS**  trans82.381.3152.2-170.10000119
518N48.5Very low49.6Very low126 Ų126111.7 Ų111.767%0.67467%0.666SS**  trans-164.4-9.2147.9-103-35.8000116.4S520 T521N518-S520 VanDerWaalsContact C-N 3.25Å; N518-S520 PolarHBondContact O-N 2.73Å; N518-T521 PolarHBondContact O-N 2.79Å; N518-T521 VanDerWaalsContact O-N 3.15Å; N518-T521 PolarHBondContact O-OG1 3.33Å
519G46.2Very low51.4Low44 Ų44111.7 Ų111.745%0.45465%0.652SS.*Hα-helixtrans-58.5-16.5-164.500000118.6T521 L523G519-T521 VanDerWaalsContact C-N 3.29Å; G519-T521 PolarHBondContact O-N 3.47Å; G519-L523 PolarHBondContact O-N 3.11Å
520S51.4Low53.3Low103 Ų103113.1 Ų113.172%0.7265%0.645SS**Hα-helixtrans-68.2-27.2176.1-50.60000113.2N518 N524N518-S520 VanDerWaalsContact C-N 3.25Å; N518-S520 PolarHBondContact O-N 2.73Å; S520-N524 PolarHBondContact O-N 2.87Å
521T56Low55.2Low81 Ų81113 Ų11350%0.49764%0.635SS.*Hα-helixtrans-81.6-34.1-176.759.70000113N518 G519 R525N518-T521 PolarHBondContact O-N 2.79Å; N518-T521 VanDerWaalsContact O-N 3.15Å; N518-T521 PolarHBondContact O-OG1 3.33Å; G519-T521 VanDerWaalsContact C-N 3.29Å; G519-T521 PolarHBondContact O-N 3.47Å; T521-R525 WeakPolarHBondContact O-CG 3.29Å; T521-R525 PolarHBondContact O-N 3.18Å
522E52.2Low57.1Low138 Ų138110.9 Ų110.965%0.64562%0.624SS**Hα-helixtrans-70.1-44.1174.9-69.5-170.9118.400111.7N524 R525 S526E522-N524 VanDerWaalsContact C-N 3.3Å; E522-N524 PolarHBondContact O-N 3.08Å; E522-R525 PolarHBondContact O-N 2.82Å; E522-R525 VanDerWaalsContact O-N 3.16Å; E522-S526 PolarHBondContact O-N 3.2Å; E522-S526 PolarHBondContact O-OG 2.81Å
523L53.9Low59.2Low127 Ų127106.9 Ų106.967%0.66561%0.614SS**Hα-helixtrans-58.7-42.4175.8-71.6173.9000111.8G519 S526 S527G519-L523 PolarHBondContact O-N 3.11Å; L523-S526 PolarHBondContact O-N 2.81Å; L523-S527 PolarHBondContact O-N 3.19Å; L523-S527 PolarHBondContact O-OG 3.01Å; L523-S527 VanDerWaalsContact O-OG 3.11Å
524N59Low61.4Low87 Ų87105.6 Ų105.647%0.46561%0.605SS.*Hα-helixtrans-63.4-45.3175.1-170.669000111.9S520 E522 S526 S527 E528S520-N524 PolarHBondContact O-N 2.87Å; E522-N524 VanDerWaalsContact C-N 3.3Å; E522-N524 PolarHBondContact O-N 3.08Å; N524-S526 VanDerWaalsContact C-N 3.33Å; N524-S526 PolarHBondContact O-N 2.8Å; N524-S527 WeakPolarHBondContact O-CB 3.37Å; N524-S527 PolarHBondContact O-N 3Å; N524-S527 VanDerWaalsContact O-N 3.16Å; N524-E528 PolarHBondContact ND2-OE1 2.59Å; N524-E528 WeakPolarHBondContact O-CG 3.28Å; N524-E528 PolarHBondContact O-N 3.17Å
525R63.4Low63.6Low174 Ų174105 Ų10566%0.65759%0.593SS**Hα-helixtrans-61.1-37.9174.7-79.6-179.9169.1-176.2-1.9112.9T521 E522 N529T521-R525 WeakPolarHBondContact O-CG 3.29Å; T521-R525 PolarHBondContact O-N 3.18Å; E522-R525 PolarHBondContact O-N 2.82Å; E522-R525 VanDerWaalsContact O-N 3.16Å; R525-N529 WeakPolarHBondContact O-CB 3.41Å; R525-N529 PolarHBondContact O-N 2.92Å; R525-N529 PolarHBondContact O-ND2 2.91Å
526S68.3Low65.9Low70 Ų70100.7 Ų100.749%0.4957%0.572SS.*Hα-helixtrans-64.4-41.1174.5-65.60000111.5E522 L523 N524 L530E522-S526 PolarHBondContact O-N 3.2Å; E522-S526 PolarHBondContact O-OG 2.81Å; L523-S526 PolarHBondContact O-N 2.81Å; N524-S526 VanDerWaalsContact C-N 3.33Å; N524-S526 PolarHBondContact O-N 2.8Å; S526-L530 PolarHBondContact O-N 2.93Å
527S71.2Confident68.2Low68 Ų6897.5 Ų97.548%0.47655%0.553SS.*Hα-helixtrans-65.2-45.1174.9-60.20000112.6L523 N524 N529 L530 L531L523-S527 PolarHBondContact O-N 3.19Å; L523-S527 PolarHBondContact O-OG 3.01Å; L523-S527 VanDerWaalsContact O-OG 3.11Å; N524-S527 WeakPolarHBondContact O-CB 3.37Å; N524-S527 PolarHBondContact O-N 3Å; N524-S527 VanDerWaalsContact O-N 3.16Å; S527-N529 PolarHBondContact O-N 3.47Å; S527-L530 PolarHBondContact O-N 3.48Å; S527-L531 WeakPolarHBondContact O-CG 3.37Å; S527-L531 PolarHBondContact O-N 3.14Å
528E73.7Confident70.3Confident90 Ų9097.1 Ų97.142%0.42155%0.546SS..Hα-helixtrans-59.7-44.8175.2-73.3169.9169.800111.7N524 L530 L531 I532N524-E528 PolarHBondContact ND2-OE1 2.59Å; N524-E528 WeakPolarHBondContact O-CG 3.28Å; N524-E528 PolarHBondContact O-N 3.17Å; E528-L530 PolarHBondContact O-N 3.29Å; E528-L531 PolarHBondContact O-N 3.37Å; E528-I532 VanDerWaalsContact O-CG1 3.27Å; E528-I532 WeakPolarHBondContact O-CG1 3.46Å; E528-I532 PolarHBondContact O-N 2.7Å
529N78.5Confident72.1Confident102 Ų10295.8 Ų95.855%0.54554%0.539SS..Hα-helixtrans-64.6-37.1176.3-78.4-59.1000112.8R525 S527 S533R525-N529 WeakPolarHBondContact O-CB 3.41Å; R525-N529 PolarHBondContact O-N 2.92Å; R525-N529 PolarHBondContact O-ND2 2.91Å; S527-N529 PolarHBondContact O-N 3.47Å; N529-S533 VanDerWaalsContact O-CB 3.31Å; N529-S533 WeakPolarHBondContact O-CB 3.5Å; N529-S533 PolarHBondContact O-N 3.27Å
530L76.9Confident74.2Confident126 Ų12697.7 Ų97.766%0.6654%0.538SS*.Hα-helixtrans-63.7-41.7172.3-109.674000111.8S526 S527 E528 S533 S534S526-L530 PolarHBondContact O-N 2.93Å; S527-L530 PolarHBondContact O-N 3.48Å; E528-L530 PolarHBondContact O-N 3.29Å; L530-S533 PolarHBondContact O-N 2.98Å; L530-S534 VanDerWaalsContact O-CB 3.31Å; L530-S534 WeakPolarHBondContact O-CB 3.25Å; L530-S534 PolarHBondContact O-N 2.86Å; L530-S534 PolarHBondContact O-OG 2.83Å
531L78.8Confident76Confident109 Ų10998.5 Ų98.557%0.57153%0.531SS*.Hα-helixtrans-65.4-43.8177.2-73.5165.3000111.6S527 E528 S534 N535S527-L531 WeakPolarHBondContact O-CG 3.37Å; S527-L531 PolarHBondContact O-N 3.14Å; E528-L531 PolarHBondContact O-N 3.37Å; L531-S534 PolarHBondContact O-N 3.04Å; L531-N535 WeakPolarHBondContact O-CB 3.33Å; L531-N535 VanDerWaalsContact O-CG 3.24Å; L531-N535 PolarHBondContact O-N 2.89Å; L531-N535 PolarHBondContact O-ND2 3.42Å; L531-N535 VanDerWaalsContact O-ND2 3.14Å
532I80.9Confident77.7Confident108 Ų108102.3 Ų102.355%0.55454%0.536SS*.Hα-helixtrans-61.1-47.8175.2-68.3163.2000110.6E528 S534 N535 Q536E528-I532 VanDerWaalsContact O-CG1 3.27Å; E528-I532 WeakPolarHBondContact O-CG1 3.46Å; E528-I532 PolarHBondContact O-N 2.7Å; I532-S534 PolarHBondContact O-N 3.21Å; I532-N535 PolarHBondContact O-N 2.85Å; I532-Q536 PolarHBondContact O-N 3.07Å
533S81.6Confident79.5Confident81 Ų8198.9 Ų98.957%0.56653%0.527SS*.Hα-helixtrans-60.9-42.6177.3-1710000112.2N529 L530 Q536 A537N529-S533 VanDerWaalsContact O-CB 3.31Å; N529-S533 WeakPolarHBondContact O-CB 3.5Å; N529-S533 PolarHBondContact O-N 3.27Å; L530-S533 PolarHBondContact O-N 2.98Å; S533-Q536 PolarHBondContact O-N 3.05Å; S533-A537 PolarHBondContact O-N 3.06Å
534S83.6Confident81.4Confident64 Ų6499 Ų9945%0.44852%0.522SS..Hα-helixtrans-63.7-44.4176.2-57.60000112L530 L531 I532 Q536 A537 V538L530-S534 VanDerWaalsContact O-CB 3.31Å; L530-S534 WeakPolarHBondContact O-CB 3.25Å; L530-S534 PolarHBondContact O-N 2.86Å; L530-S534 PolarHBondContact O-OG 2.83Å; L531-S534 PolarHBondContact O-N 3.04Å; I532-S534 PolarHBondContact O-N 3.21Å; S534-Q536 PolarHBondContact O-N 2.9Å; S534-A537 WeakPolarHBondContact O-CB 3.32Å; S534-A537 PolarHBondContact O-N 3.48Å; S534-V538 WeakPolarHBondContact O-CG2 3.33Å; S534-V538 PolarHBondContact O-N 2.84Å
535N86.7Confident83Confident99 Ų9999.4 Ų99.453%0.52952%0.523SS..Hα-helixtrans-62.7-41.8175.6-74.7-33.1000111.7L531 I532 A537 V538 L539L531-N535 WeakPolarHBondContact O-CB 3.33Å; L531-N535 VanDerWaalsContact O-CG 3.24Å; L531-N535 PolarHBondContact O-N 2.89Å; L531-N535 PolarHBondContact O-ND2 3.42Å; L531-N535 VanDerWaalsContact O-ND2 3.14Å; I532-N535 PolarHBondContact O-N 2.85Å; N535-A537 VanDerWaalsContact C-N 3.35Å; N535-A537 PolarHBondContact O-N 3.24Å; N535-V538 PolarHBondContact O-N 2.94Å; N535-L539 WeakPolarHBondContact O-CG 3.42Å; N535-L539 PolarHBondContact O-N 3.33Å
536Q87.2Confident84.3Confident99 Ų9995.8 Ų95.846%0.46351%0.514SS..Hα-helixtrans-64.2-39175.1-170.962.356.900111.9I532 S533 S534 L539 N540I532-Q536 PolarHBondContact O-N 3.07Å; S533-Q536 PolarHBondContact O-N 3.05Å; S534-Q536 PolarHBondContact O-N 2.9Å; Q536-L539 PolarHBondContact O-N 2.89Å; Q536-N540 PolarHBondContact NE2-OD1 3.44Å; Q536-N540 WeakPolarHBondContact O-CB 3.25Å; Q536-N540 PolarHBondContact O-N 3.46Å; Q536-N540 PolarHBondContact O-ND2 3.23Å; Q536-N540 PolarHBondContact O-OD1 3.05Å
537A87.7Confident85.4Confident46 Ų4698.9 Ų98.938%0.3852%0.52SS..Hα-helixtrans-62.3-44.617400000111.7S533 S534 N535 N540 H541S533-A537 PolarHBondContact O-N 3.06Å; S534-A537 WeakPolarHBondContact O-CB 3.32Å; S534-A537 PolarHBondContact O-N 3.48Å; N535-A537 VanDerWaalsContact C-N 3.35Å; N535-A537 PolarHBondContact O-N 3.24Å; A537-N540 PolarHBondContact O-N 3.41Å; A537-H541 PolarHBondContact O-CD2 3.21Å; A537-H541 VanDerWaalsContact O-CD2 3.28Å; A537-H541 PolarHBondContact O-N 2.92Å
538V90Very high86.5Confident98 Ų98101.1 Ų101.159%0.59453%0.526SS*.Hα-helixtrans-62.1-42.9175.8171.10000111.7S534 N535 H541 R542S534-V538 WeakPolarHBondContact O-CG2 3.33Å; S534-V538 PolarHBondContact O-N 2.84Å; N535-V538 PolarHBondContact O-N 2.94Å; V538-H541 PolarHBondContact O-N 3.24Å; V538-R542 WeakPolarHBondContact O-CB 3.27Å; V538-R542 PolarHBondContact O-N 3.11Å
539L87.4Confident87.5Confident98 Ų98101 Ų10151%0.51353%0.528SS..Hα-helixtrans-62.4-43.8174.9-71.4171.7000111.9N535 Q536 H541 R542 S543N535-L539 WeakPolarHBondContact O-CG 3.42Å; N535-L539 PolarHBondContact O-N 3.33Å; Q536-L539 PolarHBondContact O-N 2.89Å; L539-H541 PolarHBondContact O-N 2.89Å; L539-R542 PolarHBondContact O-N 3.01Å; L539-S543 WeakPolarHBondContact O-CB 3.32Å; L539-S543 PolarHBondContact O-N 3.41Å
540N90.2Very high88.2Confident83 Ų83101.5 Ų101.544%0.44453%0.53SS..Hα-helixtrans-63.4-39.4176.6-68.5-8000111.9Q536 A537 K544Q536-N540 PolarHBondContact NE2-OD1 3.44Å; Q536-N540 WeakPolarHBondContact O-CB 3.25Å; Q536-N540 PolarHBondContact O-N 3.46Å; Q536-N540 PolarHBondContact O-ND2 3.23Å; Q536-N540 PolarHBondContact O-OD1 3.05Å; A537-N540 PolarHBondContact O-N 3.41Å; N540-K544 WeakPolarHBondContact O-CG 3.46Å; N540-K544 PolarHBondContact O-N 2.87Å; N540-K544 VanDerWaalsContact O-N 3.1Å
541H90Very high89Confident121 Ų121100.2 Ų100.256%0.5652%0.52SS*.Hα-helixtrans-66.9-43.2173.9-88.4-79.6000112.2A537 V538 L539 S543 K544 I545A537-H541 PolarHBondContact O-CD2 3.21Å; A537-H541 VanDerWaalsContact O-CD2 3.28Å; A537-H541 PolarHBondContact O-N 2.92Å; V538-H541 PolarHBondContact O-N 3.24Å; L539-H541 PolarHBondContact O-N 2.89Å; H541-S543 VanDerWaalsContact C-N 3.34Å; H541-S543 PolarHBondContact O-N 3.23Å; H541-K544 PolarHBondContact O-N 3.4Å; H541-I545 WeakPolarHBondContact O-CG1 3.34Å; H541-I545 PolarHBondContact O-N 2.78Å
542R90.5Very high89.8Confident160 Ų160100.9 Ų100.960%0.60452%0.52SS*.Hα-helixtrans-60.7-42.8176.1-174.3177.7-177.6176.32.4111.9V538 L539 I545 Q546V538-R542 WeakPolarHBondContact O-CB 3.27Å; V538-R542 PolarHBondContact O-N 3.11Å; L539-R542 PolarHBondContact O-N 3.01Å; R542-I545 PolarHBondContact O-N 2.82Å; R542-Q546 WeakPolarHBondContact O-CG 3.21Å; R542-Q546 PolarHBondContact O-N 3.35Å
543S90.3Very high90.4Very high66 Ų66102 Ų10246%0.46252%0.523SS..Hα-helixtrans-62.2-43175.8177.70000112.1L539 H541 Q546 Q547L539-S543 WeakPolarHBondContact O-CB 3.32Å; L539-S543 PolarHBondContact O-N 3.41Å; H541-S543 VanDerWaalsContact C-N 3.34Å; H541-S543 PolarHBondContact O-N 3.23Å; S543-Q546 PolarHBondContact O-N 3.26Å; S543-Q547 PolarHBondContact O-N 3.38Å
544K92.7Very high91.1Very high130 Ų130103.2 Ų103.257%0.56552%0.519SS*.Hα-helixtrans-62.8-41.4174.4-75.2178.1178.5-176.70113.1N540 H541 Q547 I548N540-K544 WeakPolarHBondContact O-CG 3.46Å; N540-K544 PolarHBondContact O-N 2.87Å; N540-K544 VanDerWaalsContact O-N 3.1Å; H541-K544 PolarHBondContact O-N 3.4Å; K544-Q547 PolarHBondContact O-N 3.31Å; K544-I548 VanDerWaalsContact O-CG1 3.32Å; K544-I548 WeakPolarHBondContact O-CG1 3.35Å; K544-I548 PolarHBondContact O-N 3.21Å
545I92.7Very high91.7Very high96 Ų96103.9 Ų103.949%0.49252%0.517SS..Hα-helixtrans-62.2-48.1176.5-68.3164.9000109.9H541 R542 Q547 I548 D549H541-I545 WeakPolarHBondContact O-CG1 3.34Å; H541-I545 PolarHBondContact O-N 2.78Å; R542-I545 PolarHBondContact O-N 2.82Å; I545-Q547 VanDerWaalsContact C-N 3.28Å; I545-Q547 PolarHBondContact O-N 2.84Å; I545-I548 PolarHBondContact O-N 3.03Å; I545-D549 PolarHBondContact O-N 3.4Å
546Q91.4Very high92.1Very high98 Ų98104.6 Ų104.646%0.45852%0.517SS..Hα-helixtrans-58.5-38.1175.8-71.9174.6-32.400112.7R542 S543 D549 I550R542-Q546 WeakPolarHBondContact O-CG 3.21Å; R542-Q546 PolarHBondContact O-N 3.35Å; S543-Q546 PolarHBondContact O-N 3.26Å; Q546-D549 PolarHBondContact O-N 2.79Å; Q546-I550 WeakPolarHBondContact O-CB 3.37Å; Q546-I550 WeakPolarHBondContact O-CD1 3.45Å; Q546-I550 WeakPolarHBondContact O-CG1 3.45Å; Q546-I550 PolarHBondContact O-N 2.84Å
547Q92.2Very high92.5Very high134 Ų134105.5 Ų105.563%0.62652%0.52SS*.Hα-helixtrans-66.5-37.7175.4-169.5175.613.800112.4S543 K544 I545 Q551S543-Q547 PolarHBondContact O-N 3.38Å; K544-Q547 PolarHBondContact O-N 3.31Å; I545-Q547 VanDerWaalsContact C-N 3.28Å; I545-Q547 PolarHBondContact O-N 2.84Å; Q547-Q551 WeakPolarHBondContact O-CB 3.18Å; Q547-Q551 PolarHBondContact O-N 2.89Å
548I94.1Very high92.9Very high116 Ų116106.2 Ų106.260%0.59552%0.515SS*.Hα-helixtrans-68.7-43175.3-68.1163000110.9K544 I545 I550 Q551 H552K544-I548 VanDerWaalsContact O-CG1 3.32Å; K544-I548 WeakPolarHBondContact O-CG1 3.35Å; K544-I548 PolarHBondContact O-N 3.21Å; I545-I548 PolarHBondContact O-N 3.03Å; I548-I550 VanDerWaalsContact C-N 3.35Å; I548-I550 PolarHBondContact O-N 2.92Å; I548-Q551 PolarHBondContact O-N 2.92Å; I548-H552 WeakPolarHBondContact O-CB 3.33Å; I548-H552 PolarHBondContact O-N 3.47Å
549D93.9Very high93.1Very high86 Ų86105 Ų10546%0.4651%0.511SS..Hα-helixtrans-60.8-43.7177-66.7-31000111.4I545 Q546 H552 Q553I545-D549 PolarHBondContact O-N 3.4Å; Q546-D549 PolarHBondContact O-N 2.79Å; D549-H552 PolarHBondContact O-N 2.88Å; D549-Q553 WeakPolarHBondContact O-CG 3.37Å; D549-Q553 PolarHBondContact O-N 3.5Å
550I94.3Very high93.5Very high114 Ų114105 Ų10559%0.58551%0.509SS*.Hα-helixtrans-64.5-42.3175.9-69.7165.1000111.1Q546 I548 Q553 F554Q546-I550 WeakPolarHBondContact O-CB 3.37Å; Q546-I550 WeakPolarHBondContact O-CD1 3.45Å; Q546-I550 WeakPolarHBondContact O-CG1 3.45Å; Q546-I550 PolarHBondContact O-N 2.84Å; I548-I550 VanDerWaalsContact C-N 3.35Å; I548-I550 PolarHBondContact O-N 2.92Å; I550-Q553 PolarHBondContact O-N 3.13Å; I550-F554 PolarHBondContact O-N 3.16Å
551Q93.3Very high93.8Very high98 Ų98104.4 Ų104.446%0.45851%0.505SS..Hα-helixtrans-63.6-44.3176.8-175.36053.200111.4Q547 I548 Q553 F554 D555Q547-Q551 WeakPolarHBondContact O-CB 3.18Å; Q547-Q551 PolarHBondContact O-N 2.89Å; I548-Q551 PolarHBondContact O-N 2.92Å; Q551-Q553 PolarHBondContact O-N 3.12Å; Q551-F554 WeakPolarHBondContact O-CB 3.49Å; Q551-F554 PolarHBondContact O-N 3.44Å; Q551-D555 PolarHBondContact NE2-OD1 3.08Å; Q551-D555 PolarHBondContact NE2-OD2 3.23Å; Q551-D555 PolarHBondContact O-N 2.95Å
552H95.1Very high94.1Very high124 Ų124105 Ų10557%0.57451%0.505SS*.Hα-helixtrans-61.6-41.5175.8-177.1-74.8000112.1I548 D549 F554 D555 Q556I548-H552 WeakPolarHBondContact O-CB 3.33Å; I548-H552 PolarHBondContact O-N 3.47Å; D549-H552 PolarHBondContact O-N 2.88Å; H552-F554 VanDerWaalsContact C-N 3.34Å; H552-D555 PolarHBondContact O-N 3.03Å; H552-Q556 VanDerWaalsContact O-CB 3.27Å; H552-Q556 WeakPolarHBondContact O-CB 3.1Å; H552-Q556 PolarHBondContact O-N 2.67Å
553Q94.6Very high94.4Very high130 Ų130102.3 Ų102.361%0.60750%0.5SS*.Hα-helixtrans-62.9-40.1174.1-74.1179.39.500112.1D549 I550 Q551 F557D549-Q553 WeakPolarHBondContact O-CG 3.37Å; D549-Q553 PolarHBondContact O-N 3.5Å; I550-Q553 PolarHBondContact O-N 3.13Å; Q551-Q553 PolarHBondContact O-N 3.12Å; Q553-F557 WeakPolarHBondContact O-CB 3.36Å; Q553-F557 PolarHBondContact O-N 2.88Å
554F95.8Very high94.7Very high108 Ų108103.8 Ų103.847%0.47450%0.5SS..Hα-helixtrans-64.2-46.1174.9-177.6-95.4000111.9I550 Q551 H552 Q556 F557 Q558I550-F554 PolarHBondContact O-N 3.16Å; Q551-F554 WeakPolarHBondContact O-CB 3.49Å; Q551-F554 PolarHBondContact O-N 3.44Å; H552-F554 VanDerWaalsContact C-N 3.34Å; F554-Q556 PolarHBondContact O-N 2.74Å; F554-F557 PolarHBondContact O-N 3.14Å; F554-Q558 HydrophobicContact CD1-CG 3.94Å; F554-Q558 HydrophobicContact CE1-CG 3.59Å; F554-Q558 HydrophobicContact CE2-CG 4.43Å; F554-Q558 HydrophobicContact CZ-CG 3.86Å; F554-Q558 WeakPolarHBondContact O-CB 3.22Å; F554-Q558 VanDerWaalsContact O-CG 3.28Å; F554-Q558 WeakPolarHBondContact O-CG 3.34Å; F554-Q558 PolarHBondContact O-N 3.39Å
555D95.5Very high94.8Very high77 Ų77102.8 Ų102.841%0.41250%0.5SS..Hα-helixtrans-68.8-33.7-179.4-66.8-31.9000112.4Q551 H552 S559Q551-D555 PolarHBondContact NE2-OD1 3.08Å; Q551-D555 PolarHBondContact NE2-OD2 3.23Å; Q551-D555 PolarHBondContact O-N 2.95Å; H552-D555 PolarHBondContact O-N 3.03Å; D555-S559 WeakPolarHBondContact O-CB 3.26Å; D555-S559 PolarHBondContact O-N 3.49Å; D555-S559 PolarHBondContact O-OG 3.35Å
556Q94.9Very high95Very high114 Ų114102.6 Ų102.653%0.53350%0.496SS..Hα-helixtrans-63-49.6169.6-179.2177.9-13.600111.1H552 F554 Q558 S559 E560H552-Q556 VanDerWaalsContact O-CB 3.27Å; H552-Q556 WeakPolarHBondContact O-CB 3.1Å; H552-Q556 PolarHBondContact O-N 2.67Å; F554-Q556 PolarHBondContact O-N 2.74Å; Q556-Q558 PolarHBondContact O-N 3.38Å; Q556-S559 WeakPolarHBondContact O-CA 3.27Å; Q556-S559 WeakPolarHBondContact O-CB 3.42Å; Q556-S559 PolarHBondContact O-N 3.24Å; Q556-E560 PolarHBondContact O-N 2.9Å
557F96.8Very high95.2Very high118 Ų118100.7 Ų100.752%0.51849%0.489SS..Hα-helixtrans-63.4-39.7178.8-177.2-115.6000112.5Q553 F554 S559 E560 I561Q553-F557 WeakPolarHBondContact O-CB 3.36Å; Q553-F557 PolarHBondContact O-N 2.88Å; F554-F557 PolarHBondContact O-N 3.14Å; F557-S559 VanDerWaalsContact C-N 3.27Å; F557-S559 PolarHBondContact O-N 2.95Å; F557-E560 PolarHBondContact O-N 2.98Å; F557-I561 HydrophobicContact CD1-CD1 3.91Å; F557-I561 HydrophobicContact CE1-CD1 3.51Å; F557-I561 HydrophobicContact CE2-CD1 4.18Å; F557-I561 HydrophobicContact CG-CD1 4.41Å; F557-I561 HydrophobicContact CZ-CD1 3.67Å; F557-I561 HydrophobicContact CZ-CG1 4.44Å; F557-I561 WeakPolarHBondContact O-CG1 3.36Å; F557-I561 PolarHBondContact O-N 2.8Å
558Q94.7Very high95.5Very high61 Ų6198.9 Ų98.929%0.28548%0.483SS..Hα-helixtrans-61.6-34.4171.3-75.2-66.6-38.700112.6F554 Q556 K562F554-Q558 HydrophobicContact CD1-CG 3.94Å; F554-Q558 HydrophobicContact CE1-CG 3.59Å; F554-Q558 HydrophobicContact CE2-CG 4.43Å; F554-Q558 HydrophobicContact CZ-CG 3.86Å; F554-Q558 WeakPolarHBondContact O-CB 3.22Å; F554-Q558 VanDerWaalsContact O-CG 3.28Å; F554-Q558 WeakPolarHBondContact O-CG 3.34Å; F554-Q558 PolarHBondContact O-N 3.39Å; Q556-Q558 PolarHBondContact O-N 3.38Å; Q558-K562 VanDerWaalsContact O-CD 3.25Å; Q558-K562 WeakPolarHBondContact O-CD 3.33Å; Q558-K562 WeakPolarHBondContact O-CG 3.29Å; Q558-K562 PolarHBondContact O-N 3.33Å
559S95.1Very high95.6Very high73 Ų73100.4 Ų100.451%0.5148%0.481SS..Hα-helixtrans-74.6-40.3177.1-58.40000111.6D555 Q556 F557 K562 Q563D555-S559 WeakPolarHBondContact O-CB 3.26Å; D555-S559 PolarHBondContact O-N 3.49Å; D555-S559 PolarHBondContact O-OG 3.35Å; Q556-S559 WeakPolarHBondContact O-CA 3.27Å; Q556-S559 WeakPolarHBondContact O-CB 3.42Å; Q556-S559 PolarHBondContact O-N 3.24Å; F557-S559 VanDerWaalsContact C-N 3.27Å; F557-S559 PolarHBondContact O-N 2.95Å; S559-K562 PolarHBondContact O-N 3.48Å; S559-Q563 PolarHBondContact O-N 3.36Å
560E95.9Very high95.7Very high99 Ų99103.6 Ų103.646%0.46349%0.487SS..Hα-helixtrans-62.6-46.1175.3-166.7-177.8157.800111.8Q556 F557 K562 Q563 Q564Q556-E560 PolarHBondContact O-N 2.9Å; F557-E560 PolarHBondContact O-N 2.98Å; E560-K562 VanDerWaalsContact C-N 3.31Å; E560-K562 PolarHBondContact O-N 3.37Å; E560-Q563 PolarHBondContact O-N 3.44Å; E560-Q564 WeakPolarHBondContact O-CG 3.43Å; E560-Q564 PolarHBondContact O-N 2.87Å; E560-Q564 PolarHBondContact OE1-NE2 2.76Å
561I96Very high95.8Very high70 Ų70104.6 Ų104.636%0.35949%0.489SS..Hα-helixtrans-59-41.2174.6-72.3171.8000111.5F557 L565F557-I561 HydrophobicContact CD1-CD1 3.91Å; F557-I561 HydrophobicContact CE1-CD1 3.51Å; F557-I561 HydrophobicContact CE2-CD1 4.18Å; F557-I561 HydrophobicContact CG-CD1 4.41Å; F557-I561 HydrophobicContact CZ-CD1 3.67Å; F557-I561 HydrophobicContact CZ-CG1 4.44Å; F557-I561 WeakPolarHBondContact O-CG1 3.36Å; F557-I561 PolarHBondContact O-N 2.8Å; I561-L565 VanDerWaalsContact O-CB 3.26Å; I561-L565 WeakPolarHBondContact O-CB 3.09Å; I561-L565 PolarHBondContact O-N 3.4Å
562K96.3Very high95.9Very high132 Ų132106.5 Ų106.557%0.57449%0.493SS*.Hα-helixtrans-65.2-39.2177.4-73.2164.1-167.3167.30111.9Q558 S559 E560 H566Q558-K562 VanDerWaalsContact O-CD 3.25Å; Q558-K562 WeakPolarHBondContact O-CD 3.33Å; Q558-K562 WeakPolarHBondContact O-CG 3.29Å; Q558-K562 PolarHBondContact O-N 3.33Å; S559-K562 PolarHBondContact O-N 3.48Å; E560-K562 VanDerWaalsContact C-N 3.31Å; E560-K562 PolarHBondContact O-N 3.37Å; K562-H566 WeakPolarHBondContact O-CB 3.12Å; K562-H566 PolarHBondContact O-N 3.27Å
563Q95.8Very high95.9Very high104 Ų104104 Ų10449%0.48648%0.484SS..Hα-helixtrans-66-49.8175.5-173.759.849.400111.3S559 E560 L565 H566 D567S559-Q563 PolarHBondContact O-N 3.36Å; E560-Q563 PolarHBondContact O-N 3.44Å; Q563-L565 VanDerWaalsContact C-N 3.29Å; Q563-L565 PolarHBondContact O-N 3.46Å; Q563-H566 WeakPolarHBondContact O-CB 3.42Å; Q563-H566 PolarHBondContact O-N 3Å; Q563-H566 VanDerWaalsContact O-N 3.1Å; Q563-D567 VanDerWaalsContact NE2-CG 3.26Å; Q563-D567 PolarHBondContact NE2-OD1 2.82Å; Q563-D567 VanDerWaalsContact NE2-OD1 3.09Å; Q563-D567 PolarHBondContact NE2-OD2 2.73Å; Q563-D567 PolarHBondContact O-N 3Å
564Q96.8Very high96Very high98 Ų98101.3 Ų101.346%0.45848%0.477SS..Hα-helixtrans-57.7-40.8176.3-68.3178.613.300111.8E560 D567 I568E560-Q564 WeakPolarHBondContact O-CG 3.43Å; E560-Q564 PolarHBondContact O-N 2.87Å; E560-Q564 PolarHBondContact OE1-NE2 2.76Å; Q564-D567 PolarHBondContact O-N 2.81Å; Q564-I568 WeakPolarHBondContact O-CB 3.44Å; Q564-I568 WeakPolarHBondContact O-CD1 3.48Å; Q564-I568 WeakPolarHBondContact O-CG1 3.42Å; Q564-I568 PolarHBondContact O-N 3.05Å
565L96.4Very high96Very high108 Ų108101.7 Ų101.757%0.56548%0.483SS*.Hα-helixtrans-68.4-35.8176.5-177.362.6000113I561 Q563 R569I561-L565 VanDerWaalsContact O-CB 3.26Å; I561-L565 WeakPolarHBondContact O-CB 3.09Å; I561-L565 PolarHBondContact O-N 3.4Å; Q563-L565 VanDerWaalsContact C-N 3.29Å; Q563-L565 PolarHBondContact O-N 3.46Å; L565-R569 WeakPolarHBondContact O-CB 3.34Å; L565-R569 PolarHBondContact O-N 2.83Å
566H96.2Very high96.1Very high92 Ų92103.4 Ų103.443%0.42649%0.487SS..Hα-helixtrans-63.7-45.3172.5169.3-87.4000111.2K562 Q563 R569 R570K562-H566 WeakPolarHBondContact O-CB 3.12Å; K562-H566 PolarHBondContact O-N 3.27Å; Q563-H566 WeakPolarHBondContact O-CB 3.42Å; Q563-H566 PolarHBondContact O-N 3Å; Q563-H566 VanDerWaalsContact O-N 3.1Å; H566-R569 WeakPolarHBondContact O-CB 3.48Å; H566-R569 PolarHBondContact O-N 2.83Å; H566-R570 WeakPolarHBondContact O-CG 3.5Å; H566-R570 PolarHBondContact O-N 3.42Å
567D96.3Very high96.1Very high58 Ų58104.2 Ų104.231%0.3149%0.49SS..Hα-helixtrans-73.5-40.2-176-62.2-28.4000111.5Q563 Q564 R569 R570 E571Q563-D567 VanDerWaalsContact NE2-CG 3.26Å; Q563-D567 PolarHBondContact NE2-OD1 2.82Å; Q563-D567 VanDerWaalsContact NE2-OD1 3.09Å; Q563-D567 PolarHBondContact NE2-OD2 2.73Å; Q563-D567 PolarHBondContact O-N 3Å; Q564-D567 PolarHBondContact O-N 2.81Å; D567-R569 PolarHBondContact O-N 3.42Å; D567-R570 PolarHBondContact O-N 3.14Å; D567-E571 WeakPolarHBondContact O-CG 3.48Å; D567-E571 PolarHBondContact O-N 2.83Å
568I96.7Very high96.1Very high96 Ų96104.9 Ų104.949%0.49250%0.497SS..Hα-helixtrans-57.3-37168.4-70.4166.5000111.4Q564 Y572Q564-I568 WeakPolarHBondContact O-CB 3.44Å; Q564-I568 WeakPolarHBondContact O-CD1 3.48Å; Q564-I568 WeakPolarHBondContact O-CG1 3.42Å; Q564-I568 PolarHBondContact O-N 3.05Å; I568-Y572 WeakPolarHBondContact O-CB 3.45Å; I568-Y572 PolarHBondContact O-N 2.98Å
569R96.7Very high96.1Very high148 Ų148107.4 Ų107.456%0.55851%0.508SS*.Hα-helixtrans-66.4-42.2174.2172.2171.4-64.4-72-2.9111.9L565 H566 D567 Y572 D573L565-R569 WeakPolarHBondContact O-CB 3.34Å; L565-R569 PolarHBondContact O-N 2.83Å; H566-R569 WeakPolarHBondContact O-CB 3.48Å; H566-R569 PolarHBondContact O-N 2.83Å; D567-R569 PolarHBondContact O-N 3.42Å; R569-Y572 PolarHBondContact O-N 3.39Å; R569-D573 WeakPolarHBondContact CG-OD2 3.49Å; R569-D573 PolarHBondContact O-N 3.17Å
570R95.9Very high96.2Very high154 Ų154106.9 Ų106.958%0.58150%0.502SS*.Hα-helixtrans-64.9-42.3177.5-63.2-143.2-59.9157.22.1112H566 D567 Y572 D573 T574H566-R570 WeakPolarHBondContact O-CG 3.5Å; H566-R570 PolarHBondContact O-N 3.42Å; D567-R570 PolarHBondContact O-N 3.14Å; R570-Y572 VanDerWaalsContact C-N 3.33Å; R570-Y572 PolarHBondContact O-N 2.75Å; R570-D573 PolarHBondContact O-N 3.33Å; R570-T574 WeakPolarHBondContact O-CG2 3.43Å; R570-T574 PolarHBondContact O-N 2.98Å; R570-T574 PolarHBondContact O-OG1 3.46Å
571E96.1Very high96.2Very high134 Ų134106.5 Ų106.563%0.62650%0.5SS*.Hα-helixtrans-63.7-36173.7-66.4-56.2143.800112.6D567 T574 L575D567-E571 WeakPolarHBondContact O-CG 3.48Å; D567-E571 PolarHBondContact O-N 2.83Å; E571-T574 WeakPolarHBondContact CA-OG1 3.29Å; E571-T574 PolarHBondContact O-OG1 3.41Å; E571-L575 WeakPolarHBondContact O-CB 3.28Å; E571-L575 PolarHBondContact O-N 3.35Å
572Y96.3Very high96.2Very high138 Ų138109 Ų10954%0.54151%0.513SS..Hα-helixtrans-65.3-45.1172.5173.1-92.3000112I568 R569 R570 L575 K576I568-Y572 WeakPolarHBondContact O-CB 3.45Å; I568-Y572 PolarHBondContact O-N 2.98Å; R569-Y572 PolarHBondContact O-N 3.39Å; R570-Y572 VanDerWaalsContact C-N 3.33Å; R570-Y572 PolarHBondContact O-N 2.75Å; Y572-L575 PolarHBondContact O-N 2.85Å; Y572-K576 HydrophobicContact CE1-CD 4.2Å; Y572-K576 VanDerWaalsContact O-CB 3.23Å; Y572-K576 WeakPolarHBondContact O-CB 3.31Å; Y572-K576 PolarHBondContact O-N 2.92Å
573D96.2Very high96.2Very high73 Ų73111 Ų11139%0.3952%0.517SS..Hα-helixtrans-69.6-34.2-178.9-71.5-38.3000111.8R569 R570 E577R569-D573 WeakPolarHBondContact CG-OD2 3.49Å; R569-D573 PolarHBondContact O-N 3.17Å; R570-D573 PolarHBondContact O-N 3.33Å; D573-E577 PolarHBondContact O-N 3.34Å; D573-E577 VanDerWaalsContact O-N 3.11Å
574T96.3Very high96.2Very high73 Ų73109.4 Ų109.445%0.44851%0.512SS..Hα-helixtrans-69.9-44.3171.853.40000112.4R570 E571 K576 E577 M578R570-T574 WeakPolarHBondContact O-CG2 3.43Å; R570-T574 PolarHBondContact O-N 2.98Å; R570-T574 PolarHBondContact O-OG1 3.46Å; E571-T574 WeakPolarHBondContact CA-OG1 3.29Å; E571-T574 PolarHBondContact O-OG1 3.41Å; T574-K576 VanDerWaalsContact C-N 3.27Å; T574-K576 PolarHBondContact O-N 3.05Å; T574-E577 PolarHBondContact O-N 3.15Å; T574-M578 WeakPolarHBondContact O-CG 3.37Å; T574-M578 PolarHBondContact O-N 3.04Å
575L96.1Very high96.2Very high116 Ų116108 Ų10861%0.60751%0.508SS*.Hα-helixtrans-61.7-37.1176.3179.861.2000111.7E571 Y572 M578 H579E571-L575 WeakPolarHBondContact O-CB 3.28Å; E571-L575 PolarHBondContact O-N 3.35Å; Y572-L575 PolarHBondContact O-N 2.85Å; L575-M578 PolarHBondContact O-N 2.88Å; L575-H579 PolarHBondContact O-N 2.94Å
576K96.3Very high96.3Very high112 Ų112110.8 Ų110.849%0.48751%0.511SS..Hα-helixtrans-63.9-45.1174.1-178.4-175.7-179.2-169.80111.9Y572 T574 H579 V580Y572-K576 HydrophobicContact CE1-CD 4.2Å; Y572-K576 VanDerWaalsContact O-CB 3.23Å; Y572-K576 WeakPolarHBondContact O-CB 3.31Å; Y572-K576 PolarHBondContact O-N 2.92Å; T574-K576 VanDerWaalsContact C-N 3.27Å; T574-K576 PolarHBondContact O-N 3.05Å; K576-H579 PolarHBondContact O-N 2.98Å; K576-V580 WeakPolarHBondContact O-CG2 3.48Å; K576-V580 PolarHBondContact O-N 2.9Å
577E96.1Very high96.3Very high131 Ų131109.9 Ų109.961%0.61251%0.509SS*.Hα-helixtrans-63.8-42176.2-165.465.4-168.700111.2D573 T574 H579 V580 Q581D573-E577 PolarHBondContact O-N 3.34Å; D573-E577 VanDerWaalsContact O-N 3.11Å; T574-E577 PolarHBondContact O-N 3.15Å; E577-H579 VanDerWaalsContact C-N 3.33Å; E577-H579 PolarHBondContact O-N 2.88Å; E577-V580 PolarHBondContact O-N 2.86Å; E577-Q581 PolarHBondContact O-N 3.44Å
578M95.9Very high96.3Very high132 Ų132112.8 Ų112.865%0.6552%0.519SS*.Hα-helixtrans-60.3-39.3172.8-73.4-176.766.600112.7T574 L575 Q581 L582T574-M578 WeakPolarHBondContact O-CG 3.37Å; T574-M578 PolarHBondContact O-N 3.04Å; L575-M578 PolarHBondContact O-N 2.88Å; M578-Q581 PolarHBondContact O-N 2.93Å; M578-L582 WeakPolarHBondContact O-CB 3.29Å; M578-L582 PolarHBondContact O-N 2.86Å
579H95.4Very high96.3Very high115 Ų115110.2 Ų110.253%0.53252%0.516SS..Hα-helixtrans-66.5-40175.8-17685000112.1L575 K576 E577 L582 R583L575-H579 PolarHBondContact O-N 2.94Å; K576-H579 PolarHBondContact O-N 2.98Å; E577-H579 VanDerWaalsContact C-N 3.33Å; E577-H579 PolarHBondContact O-N 2.88Å; H579-L582 PolarHBondContact O-N 3.34Å; H579-R583 WeakPolarHBondContact O-CB 3.45Å; H579-R583 PolarHBondContact O-N 3.06Å
580V96.5Very high96.2Very high62 Ų62107.5 Ų107.538%0.37651%0.509SS..Hα-helixtrans-62.9-44.7173.6171.10000110.8K576 E577 R583 N584K576-V580 WeakPolarHBondContact O-CG2 3.48Å; K576-V580 PolarHBondContact O-N 2.9Å; E577-V580 PolarHBondContact O-N 2.86Å; V580-R583 PolarHBondContact O-N 2.93Å; V580-N584 WeakPolarHBondContact O-CB 3.37Å; V580-N584 VanDerWaalsContact O-CG 3.25Å; V580-N584 PolarHBondContact O-N 3.04Å; V580-N584 PolarHBondContact O-ND2 2.93Å
581Q96Very high96.3Very high91 Ų91105.9 Ų105.943%0.42551%0.507SS..Hα-helixtrans-61.4-47.6176.5-178.960.523.800112E577 M578 R583 N584 D585E577-Q581 PolarHBondContact O-N 3.44Å; M578-Q581 PolarHBondContact O-N 2.93Å; Q581-R583 VanDerWaalsContact C-N 3.32Å; Q581-R583 PolarHBondContact O-N 2.92Å; Q581-N584 WeakPolarHBondContact O-CB 3.5Å; Q581-N584 PolarHBondContact O-N 3.4Å; Q581-N584 VanDerWaalsContact O-N 3.14Å; Q581-D585 VanDerWaalsContact NE2-CG 3.29Å; Q581-D585 PolarHBondContact NE2-OD1 2.92Å; Q581-D585 PolarHBondContact NE2-OD2 3.1Å; Q581-D585 PolarHBondContact O-N 2.83Å
582L96.6Very high96.3Very high121 Ų121102.5 Ų102.563%0.63450%0.497SS*.Hα-helixtrans-60.8-40.3177.7-178.362.1000111.9M578 H579 D585 W586M578-L582 WeakPolarHBondContact O-CB 3.29Å; M578-L582 PolarHBondContact O-N 2.86Å; H579-L582 PolarHBondContact O-N 3.34Å; L582-D585 PolarHBondContact O-N 2.92Å; L582-W586 WeakPolarHBondContact O-CB 3.33Å; L582-W586 PolarHBondContact O-N 3.33Å
583R96.5Very high96.3Very high174 Ų174100.7 Ų100.766%0.65750%0.497SS*.Hα-helixtrans-63.8-40.3174.7-170.8-177.4-174.799.82.7112H579 V580 Q581 L587H579-R583 WeakPolarHBondContact O-CB 3.45Å; H579-R583 PolarHBondContact O-N 3.06Å; V580-R583 PolarHBondContact O-N 2.93Å; Q581-R583 VanDerWaalsContact C-N 3.32Å; Q581-R583 PolarHBondContact O-N 2.92Å; R583-L587 WeakPolarHBondContact O-CB 3.26Å; R583-L587 PolarHBondContact O-N 2.99Å
584N96.2Very high96.3Very high72 Ų72101.2 Ų101.239%0.38550%0.503SS..Hα-helixtrans-66.3-42.6176.1-72.9-29000111.8V580 Q581 L587 K588V580-N584 WeakPolarHBondContact O-CB 3.37Å; V580-N584 VanDerWaalsContact O-CG 3.25Å; V580-N584 PolarHBondContact O-N 3.04Å; V580-N584 PolarHBondContact O-ND2 2.93Å; Q581-N584 WeakPolarHBondContact O-CB 3.5Å; Q581-N584 PolarHBondContact O-N 3.4Å; Q581-N584 VanDerWaalsContact O-N 3.14Å; N584-L587 PolarHBondContact O-N 2.93Å; N584-K588 WeakPolarHBondContact O-CG 3.34Å; N584-K588 PolarHBondContact O-N 2.83Å
585D96.7Very high96.3Very high67 Ų67103.5 Ų103.536%0.35851%0.508SS..Hα-helixtrans-72.2-35.8179.7-69.8-24.6000112.4Q581 L582 K588 G589Q581-D585 VanDerWaalsContact NE2-CG 3.29Å; Q581-D585 PolarHBondContact NE2-OD1 2.92Å; Q581-D585 PolarHBondContact NE2-OD2 3.1Å; Q581-D585 PolarHBondContact O-N 2.83Å; L582-D585 PolarHBondContact O-N 2.92Å; D585-K588 PolarHBondContact O-N 3.34Å; D585-K588 WeakPolarHBondContact OD1-CE 3.49Å; D585-K588 IonicContact OD1-NZ 3.05Å; D585-K588 PolarHBondContact OD1-NZ 3.5Å; D585-G589 PolarHBondContact O-N 2.78Å
586W97.1Very high96.4Very high168 Ų168104.5 Ų104.564%0.63650%0.504SS*.Hα-helixtrans-59.5-44.8168.4-179.785.5000111.7L582 K588 G589 Q590L582-W586 WeakPolarHBondContact O-CB 3.33Å; L582-W586 PolarHBondContact O-N 3.33Å; W586-K588 PolarHBondContact O-N 3.46Å; W586-G589 PolarHBondContact O-N 3.26Å; W586-G589 VanDerWaalsContact O-N 3.17Å; W586-Q590 PolarHBondContact O-N 3.27Å
587L96.3Very high96.4Very high73 Ų73105.3 Ų105.338%0.38251%0.508SS..Hα-helixtrans-66.6-34.3177.9-173.864.3000112.7R583 N584 K591R583-L587 WeakPolarHBondContact O-CB 3.26Å; R583-L587 PolarHBondContact O-N 2.99Å; N584-L587 PolarHBondContact O-N 2.93Å; L587-K591 WeakPolarHBondContact O-CG 3.45Å; L587-K591 PolarHBondContact O-N 2.66Å
588K96Very high96.5Very high119 Ų119104.5 Ų104.552%0.51750%0.504SS..Hα-helixtrans-64-44.7169.9-68.3167.4-158.9164.90111.1N584 D585 W586 K591 S592N584-K588 WeakPolarHBondContact O-CG 3.34Å; N584-K588 PolarHBondContact O-N 2.83Å; D585-K588 PolarHBondContact O-N 3.34Å; D585-K588 WeakPolarHBondContact OD1-CE 3.49Å; D585-K588 IonicContact OD1-NZ 3.05Å; D585-K588 PolarHBondContact OD1-NZ 3.5Å; W586-K588 PolarHBondContact O-N 3.46Å; K588-K591 PolarHBondContact O-N 3.27Å; K588-S592 WeakPolarHBondContact O-CB 3.01Å; K588-S592 PolarHBondContact O-N 2.92Å
589G96.7Very high96.5Very high41 Ų41101.1 Ų101.142%0.42349%0.491SS..Hα-helixtrans-59.8-46176.300000112.3D585 W586 K591 S592 L593D585-G589 PolarHBondContact O-N 2.78Å; W586-G589 PolarHBondContact O-N 3.26Å; W586-G589 VanDerWaalsContact O-N 3.17Å; G589-K591 PolarHBondContact O-N 3.32Å; G589-S592 PolarHBondContact O-N 3.42Å; G589-L593 WeakPolarHBondContact O-CB 3.43Å; G589-L593 PolarHBondContact O-N 3.44Å
590Q95.9Very high96.6Very high91 Ų9199 Ų9943%0.42548%0.483SS..Hα-helixtrans-59.4-47.2175.5-169.1-175.213.900111.5W586 L593 T594W586-Q590 PolarHBondContact O-N 3.27Å; Q590-L593 PolarHBondContact O-N 3.46Å; Q590-T594 PolarHBondContact O-N 3.28Å; Q590-T594 PolarHBondContact O-OG1 2.81Å
591K96.6Very high96.6Very high121 Ų121100.7 Ų100.753%0.52649%0.488SS..Hα-helixtrans-60-49.5176.5-75.3179177.4-172.40112.4L587 K588 G589 L593 T594 E595L587-K591 WeakPolarHBondContact O-CG 3.45Å; L587-K591 PolarHBondContact O-N 2.66Å; K588-K591 PolarHBondContact O-N 3.27Å; G589-K591 PolarHBondContact O-N 3.32Å; K591-L593 VanDerWaalsContact C-N 3.28Å; K591-L593 PolarHBondContact O-N 3.17Å; K591-T594 WeakPolarHBondContact O-CB 3.44Å; K591-T594 PolarHBondContact O-N 3.17Å; K591-T594 VanDerWaalsContact O-N 3.1Å; K591-E595 WeakPolarHBondContact O-CB 3.35Å; K591-E595 WeakPolarHBondContact O-CG 3.3Å; K591-E595 PolarHBondContact O-N 2.73Å
592S96Very high96.6Very high62 Ų62100.7 Ų100.743%0.43449%0.491SS..Hα-helixtrans-61.3-36.9178.9-174.30000112.3K588 G589 R596K588-S592 WeakPolarHBondContact O-CB 3.01Å; K588-S592 PolarHBondContact O-N 2.92Å; G589-S592 PolarHBondContact O-N 3.42Å; S592-R596 WeakPolarHBondContact O-CB 3.38Å; S592-R596 PolarHBondContact O-N 3.32Å
593L96.6Very high96.6Very high100 Ų10099.3 Ų99.352%0.52448%0.481SS..Hα-helixtrans-66-43.3173-178.261.4000111.9G589 Q590 K591 R596 F597G589-L593 WeakPolarHBondContact O-CB 3.43Å; G589-L593 PolarHBondContact O-N 3.44Å; Q590-L593 PolarHBondContact O-N 3.46Å; K591-L593 VanDerWaalsContact C-N 3.28Å; K591-L593 PolarHBondContact O-N 3.17Å; L593-R596 PolarHBondContact O-N 2.88Å; L593-F597 HydrophobicContact CD1-CD2 3.98Å; L593-F597 HydrophobicContact CD1-CE2 3.57Å; L593-F597 HydrophobicContact CD1-CZ 4.35Å; L593-F597 HydrophobicContact CD2-CE2 4.24Å; L593-F597 HydrophobicContact CG-CD2 3.93Å; L593-F597 HydrophobicContact CG-CE2 3.71Å; L593-F597 VanDerWaalsContact O-CD2 3.26Å; L593-F597 WeakPolarHBondContact O-CD2 3.36Å; L593-F597 PolarHBondContact O-N 3.31Å
594T96.8Very high96.6Very high85 Ų8594.9 Ų94.952%0.52147%0.47SS..Hα-helixtrans-63.7-43.7175.6-56.20000111.9Q590 K591 R596 F597 Q598Q590-T594 PolarHBondContact O-N 3.28Å; Q590-T594 PolarHBondContact O-OG1 2.81Å; K591-T594 WeakPolarHBondContact O-CB 3.44Å; K591-T594 PolarHBondContact O-N 3.17Å; K591-T594 VanDerWaalsContact O-N 3.1Å; T594-R596 VanDerWaalsContact C-N 3.32Å; T594-R596 PolarHBondContact O-N 2.92Å; T594-F597 PolarHBondContact O-N 3.27Å; T594-Q598 PolarHBondContact O-N 3.31Å
595E96.6Very high96.7Very high121 Ų12195.1 Ų95.157%0.56547%0.471SS*.Hα-helixtrans-60.6-40.4173.9-71.9162.3-16500111.5K591 Q598 T599K591-E595 WeakPolarHBondContact O-CB 3.35Å; K591-E595 WeakPolarHBondContact O-CG 3.3Å; K591-E595 PolarHBondContact O-N 2.73Å; E595-Q598 PolarHBondContact O-N 2.98Å; E595-T599 WeakPolarHBondContact O-CB 3.42Å; E595-T599 PolarHBondContact O-N 3.34Å; E595-T599 PolarHBondContact O-OG1 2.9Å
596R96.6Very high96.7Very high137 Ų13796.5 Ų96.552%0.51748%0.476SS..Hα-helixtrans-65.5-42.8174.6-174.859.9179.9162.67.4112.1S592 L593 T594 T599 L600S592-R596 WeakPolarHBondContact O-CB 3.38Å; S592-R596 PolarHBondContact O-N 3.32Å; L593-R596 PolarHBondContact O-N 2.88Å; T594-R596 VanDerWaalsContact C-N 3.32Å; T594-R596 PolarHBondContact O-N 2.92Å; R596-T599 PolarHBondContact O-N 2.91Å; R596-L600 HydrophobicContact CG-CD1 4.3Å; R596-L600 WeakPolarHBondContact O-CG 3.24Å; R596-L600 PolarHBondContact O-N 2.99Å
597F97.6Very high96.7Very high128 Ų12892.7 Ų92.756%0.56147%0.467SS*.Hα-helixtrans-63.6-42.7174.4-82.7-61.1000112.2L593 T594 T599 L600 M601L593-F597 HydrophobicContact CD1-CD2 3.98Å; L593-F597 HydrophobicContact CD1-CE2 3.57Å; L593-F597 HydrophobicContact CD1-CZ 4.35Å; L593-F597 HydrophobicContact CD2-CE2 4.24Å; L593-F597 HydrophobicContact CG-CD2 3.93Å; L593-F597 HydrophobicContact CG-CE2 3.71Å; L593-F597 VanDerWaalsContact O-CD2 3.26Å; L593-F597 WeakPolarHBondContact O-CD2 3.36Å; L593-F597 PolarHBondContact O-N 3.31Å; T594-F597 PolarHBondContact O-N 3.27Å; F597-T599 VanDerWaalsContact C-N 3.3Å; F597-T599 PolarHBondContact O-N 3.2Å; F597-L600 PolarHBondContact O-N 3.45Å; F597-M601 WeakPolarHBondContact O-CG 3.34Å; F597-M601 PolarHBondContact O-N 2.87Å
598Q97Very high96.7Very high114 Ų11494.1 Ų94.153%0.53347%0.47SS..Hα-helixtrans-62.6-38.6175.4-174.161.963.900111.6T594 E595 M601 N602T594-Q598 PolarHBondContact O-N 3.31Å; E595-Q598 PolarHBondContact O-N 2.98Å; Q598-M601 PolarHBondContact O-N 3.48Å; Q598-N602 PolarHBondContact NE2-OD1 2.86Å; Q598-N602 PolarHBondContact O-N 2.94Å; Q598-N602 PolarHBondContact O-OD1 2.71Å
599T97.2Very high96.7Very high61 Ų6193.5 Ų93.537%0.37447%0.468SS..Hα-helixtrans-62.5-47.2175.3-55.10000111E595 R596 F597 M601 N602 E603E595-T599 WeakPolarHBondContact O-CB 3.42Å; E595-T599 PolarHBondContact O-N 3.34Å; E595-T599 PolarHBondContact O-OG1 2.9Å; R596-T599 PolarHBondContact O-N 2.91Å; F597-T599 VanDerWaalsContact C-N 3.3Å; F597-T599 PolarHBondContact O-N 3.2Å; T599-M601 VanDerWaalsContact C-N 3.34Å; T599-M601 PolarHBondContact O-N 3.43Å; T599-N602 PolarHBondContact O-N 3.14Å; T599-E603 WeakPolarHBondContact O-CG 3.43Å; T599-E603 PolarHBondContact O-N 3.3Å
600L98Very high96.7Very high71 Ų7196.4 Ų96.437%0.37247%0.473SS..Hα-helixtrans-64.4-34.5177.5-70.9168.5000113R596 F597 L604R596-L600 HydrophobicContact CG-CD1 4.3Å; R596-L600 WeakPolarHBondContact O-CG 3.24Å; R596-L600 PolarHBondContact O-N 2.99Å; F597-L600 PolarHBondContact O-N 3.45Å; L600-L604 VanDerWaalsContact O-CB 3.24Å; L600-L604 WeakPolarHBondContact O-CB 3.3Å; L600-L604 PolarHBondContact O-N 3.48Å
601M95.3Very high96.7Very high98 Ų98100.5 Ų100.548%0.48348%0.484SS..Hα-helixtrans-64.7-43.5172.4-75-67.4-68.400111.7F597 Q598 T599 L604 D605F597-M601 WeakPolarHBondContact O-CG 3.34Å; F597-M601 PolarHBondContact O-N 2.87Å; Q598-M601 PolarHBondContact O-N 3.48Å; T599-M601 VanDerWaalsContact C-N 3.34Å; T599-M601 PolarHBondContact O-N 3.43Å; M601-L604 PolarHBondContact O-N 3.37Å; M601-D605 PolarHBondContact O-N 3.33Å
602N96.9Very high96.7Very high90 Ų9097.1 Ų97.148%0.48148%0.479SS..Hα-helixtrans-64.4-44176.4-62.5-5.5000111.6Q598 T599 L604 D605 E606Q598-N602 PolarHBondContact NE2-OD1 2.86Å; Q598-N602 PolarHBondContact O-N 2.94Å; Q598-N602 PolarHBondContact O-OD1 2.71Å; T599-N602 PolarHBondContact O-N 3.14Å; N602-L604 VanDerWaalsContact C-N 3.34Å; N602-L604 PolarHBondContact O-N 2.98Å; N602-D605 PolarHBondContact O-N 3.02Å; N602-E606 PolarHBondContact O-N 3.39Å
603E97.1Very high96.7Very high93 Ų9398.2 Ų98.244%0.43548%0.48SS..Hα-helixtrans-58.7-44.3173.9-73.6174.9-163.400111.4T599 D605 E606 I607T599-E603 WeakPolarHBondContact O-CG 3.43Å; T599-E603 PolarHBondContact O-N 3.3Å; E603-D605 PolarHBondContact O-N 2.65Å; E603-E606 PolarHBondContact O-N 3.06Å; E603-I607 VanDerWaalsContact O-CG1 3.3Å; E603-I607 WeakPolarHBondContact O-CG1 3.36Å; E603-I607 PolarHBondContact O-N 3.31Å
604L96.3Very high96.7Very high80 Ų8098.2 Ų98.242%0.41948%0.481SS..Hα-helixtrans-64-38.1178.1177.862.2000112.5L600 M601 N602 I607 K608L600-L604 VanDerWaalsContact O-CB 3.24Å; L600-L604 WeakPolarHBondContact O-CB 3.3Å; L600-L604 PolarHBondContact O-N 3.48Å; M601-L604 PolarHBondContact O-N 3.37Å; N602-L604 VanDerWaalsContact C-N 3.34Å; N602-L604 PolarHBondContact O-N 2.98Å; L604-I607 PolarHBondContact O-N 3.32Å; L604-K608 WeakPolarHBondContact O-CG 3.24Å; L604-K608 PolarHBondContact O-N 3.43Å
605D97.2Very high96.7Very high77 Ų7796.9 Ų96.941%0.41248%0.478SS..Hα-helixtrans-72.9-36.4178.3-78.4-12.2000112.7M601 N602 E603 I607 K608 K609M601-D605 PolarHBondContact O-N 3.33Å; N602-D605 PolarHBondContact O-N 3.02Å; E603-D605 PolarHBondContact O-N 2.65Å; D605-I607 VanDerWaalsContact C-N 3.33Å; D605-K608 PolarHBondContact O-N 3.03Å; D605-K608 WeakPolarHBondContact OD1-CD 3.47Å; D605-K608 WeakPolarHBondContact OD1-CE 3.49Å; D605-K608 IonicContact OD1-NZ 2.62Å; D605-K608 PolarHBondContact OD1-NZ 3.28Å; D605-K609 VanDerWaalsContact O-CB 3.31Å; D605-K609 WeakPolarHBondContact O-CB 3.35Å; D605-K609 PolarHBondContact O-N 3.03Å
606E96.7Very high96.7Very high97 Ų9795.4 Ų95.445%0.45347%0.473SS..Hα-helixtrans-64.9-36.1168.6-72.5-62.4133.300111.9N602 E603 K609 L610N602-E606 PolarHBondContact O-N 3.39Å; E603-E606 PolarHBondContact O-N 3.06Å; E606-K609 WeakPolarHBondContact O-CB 3.42Å; E606-K609 PolarHBondContact O-N 2.93Å; E606-K609 WeakPolarHBondContact OE1-CD 3.48Å; E606-K609 IonicContact OE1-NZ 2.65Å; E606-K609 PolarHBondContact OE1-NZ 2.94Å; E606-K609 WeakPolarHBondContact OE2-CD 3.31Å; E606-K609 IonicContact OE2-NZ 2.71Å; E606-K609 PolarHBondContact OE2-NZ 2.62Å; E606-L610 WeakPolarHBondContact O-CG 3.46Å; E606-L610 PolarHBondContact O-N 3.36Å
607I96.7Very high96.6Very high88 Ų8892.7 Ų92.745%0.45147%0.466SS..Hα-helixtrans-64.9-39.8172.4-70.5165.6000111.9E603 L604 D605 K609 R611E603-I607 VanDerWaalsContact O-CG1 3.3Å; E603-I607 WeakPolarHBondContact O-CG1 3.36Å; E603-I607 PolarHBondContact O-N 3.31Å; L604-I607 PolarHBondContact O-N 3.32Å; D605-I607 VanDerWaalsContact C-N 3.33Å; I607-K609 VanDerWaalsContact C-N 3.34Å; I607-R611 WeakPolarHBondContact O-CB 3.35Å; I607-R611 PolarHBondContact O-N 3.35Å
608K96.2Very high96.5Very high103 Ų10392.4 Ų92.445%0.44847%0.47SS..Hα-helixtrans-62.3-42.1173.3-71.2168.4-165.7152.60111.3L604 D605 R611 A612L604-K608 WeakPolarHBondContact O-CG 3.24Å; L604-K608 PolarHBondContact O-N 3.43Å; D605-K608 PolarHBondContact O-N 3.03Å; D605-K608 WeakPolarHBondContact OD1-CD 3.47Å; D605-K608 WeakPolarHBondContact OD1-CE 3.49Å; D605-K608 IonicContact OD1-NZ 2.62Å; D605-K608 PolarHBondContact OD1-NZ 3.28Å; K608-R611 PolarHBondContact O-N 3.46Å; K608-A612 WeakPolarHBondContact O-CB 3.27Å; K608-A612 PolarHBondContact O-N 2.86Å
609K96.8Very high96.4Very high106 Ų10690.3 Ų90.346%0.46147%0.468SS..Hα-helixtrans-66.3-42.3179177.8-179.8164.2-1500112.2D605 E606 I607 A612 N613D605-K609 VanDerWaalsContact O-CB 3.31Å; D605-K609 WeakPolarHBondContact O-CB 3.35Å; D605-K609 PolarHBondContact O-N 3.03Å; E606-K609 WeakPolarHBondContact O-CB 3.42Å; E606-K609 PolarHBondContact O-N 2.93Å; E606-K609 WeakPolarHBondContact OE1-CD 3.48Å; E606-K609 IonicContact OE1-NZ 2.65Å; E606-K609 PolarHBondContact OE1-NZ 2.94Å; E606-K609 WeakPolarHBondContact OE2-CD 3.31Å; E606-K609 IonicContact OE2-NZ 2.71Å; E606-K609 PolarHBondContact OE2-NZ 2.62Å; I607-K609 VanDerWaalsContact C-N 3.34Å; K609-A612 PolarHBondContact O-N 2.91Å; K609-N613 PolarHBondContact O-N 3.02Å
610L96.3Very high96.3Very high102 Ų10294.3 Ų94.353%0.53448%0.476SS..Hα-helixtrans-59.1-49170.3-73.7168.7000111.4E606 A612 N613 D614E606-L610 WeakPolarHBondContact O-CG 3.46Å; E606-L610 PolarHBondContact O-N 3.36Å; L610-A612 VanDerWaalsContact C-N 3.26Å; L610-A612 PolarHBondContact O-N 3.07Å; L610-N613 WeakPolarHBondContact O-CB 3.39Å; L610-N613 PolarHBondContact O-N 3.29Å; L610-N613 VanDerWaalsContact O-N 3.07Å; L610-D614 PolarHBondContact O-N 3.28Å
611R96Very high96.3Very high177 Ų17797.1 Ų97.167%0.66849%0.485SS*.Hα-helixtrans-61-33.7176.8-169.4-176.1-61.1174.52.4112.9I607 K608 A615I607-R611 WeakPolarHBondContact O-CB 3.35Å; I607-R611 PolarHBondContact O-N 3.35Å; K608-R611 PolarHBondContact O-N 3.46Å; R611-A615 WeakPolarHBondContact O-CB 3.44Å; R611-A615 PolarHBondContact O-N 2.99Å
612A96.4Very high96.3Very high50 Ų50100.7 Ų100.741%0.41349%0.494SS..Hα-helixtrans-68.3-39174.600000112K608 K609 L610 A615 I616K608-A612 WeakPolarHBondContact O-CB 3.27Å; K608-A612 PolarHBondContact O-N 2.86Å; K609-A612 PolarHBondContact O-N 2.91Å; L610-A612 VanDerWaalsContact C-N 3.26Å; L610-A612 PolarHBondContact O-N 3.07Å; A612-A615 PolarHBondContact O-N 3.31Å; A612-I616 WeakPolarHBondContact O-CG1 3.38Å; A612-I616 PolarHBondContact O-N 2.87Å; A612-I616 VanDerWaalsContact O-N 3.12Å
613N96.3Very high96.2Very high84 Ų8499.8 Ų99.845%0.44949%0.492SS..Hα-helixtrans-65.3-46173.3-66.8-16.9000111.4K609 L610 A615 I616 E617K609-N613 PolarHBondContact O-N 3.02Å; L610-N613 WeakPolarHBondContact O-CB 3.39Å; L610-N613 PolarHBondContact O-N 3.29Å; L610-N613 VanDerWaalsContact O-N 3.07Å; N613-A615 VanDerWaalsContact C-N 3.27Å; N613-A615 PolarHBondContact O-N 3.48Å; N613-I616 WeakPolarHBondContact O-CB 3.41Å; N613-I616 PolarHBondContact O-N 3.13Å; N613-E617 PolarHBondContact O-N 2.95Å
614D97.2Very high96.1Very high101 Ų10199.5 Ų99.554%0.5449%0.492SS..Hα-helixtrans-57.5-40.7175.4-70.1-22000111.6L610 I616 E617 L618L610-D614 PolarHBondContact O-N 3.28Å; D614-I616 VanDerWaalsContact C-N 3.33Å; D614-I616 PolarHBondContact O-N 2.91Å; D614-E617 PolarHBondContact O-N 3.32Å; D614-L618 WeakPolarHBondContact O-CB 3.48Å; D614-L618 VanDerWaalsContact O-CG 3.27Å; D614-L618 WeakPolarHBondContact O-CG 3.36Å; D614-L618 PolarHBondContact O-N 2.66Å
615A96.3Very high95.8Very high57 Ų57100.5 Ų100.547%0.47150%0.497SS..Hα-helixtrans-66.4-31.817600000113.2R611 A612 N613 S619R611-A615 WeakPolarHBondContact O-CB 3.44Å; R611-A615 PolarHBondContact O-N 2.99Å; A612-A615 PolarHBondContact O-N 3.31Å; N613-A615 VanDerWaalsContact C-N 3.27Å; N613-A615 PolarHBondContact O-N 3.48Å; A615-S619 WeakPolarHBondContact O-CB 3.43Å; A615-S619 PolarHBondContact O-N 2.99Å; A615-S619 VanDerWaalsContact O-N 3.11Å
616I96.5Very high95.5Very high90 Ų90102.5 Ų102.546%0.46251%0.505SS..Hα-helixtrans-69.9-44.7173.5-69.9163000110.4A612 N613 D614 S619 R620A612-I616 WeakPolarHBondContact O-CG1 3.38Å; A612-I616 PolarHBondContact O-N 2.87Å; A612-I616 VanDerWaalsContact O-N 3.12Å; N613-I616 WeakPolarHBondContact O-CB 3.41Å; N613-I616 PolarHBondContact O-N 3.13Å; D614-I616 VanDerWaalsContact C-N 3.33Å; D614-I616 PolarHBondContact O-N 2.91Å; I616-S619 WeakPolarHBondContact O-CB 3.32Å; I616-S619 PolarHBondContact O-N 3.33Å; I616-R620 WeakPolarHBondContact O-CG 3.41Å; I616-R620 PolarHBondContact O-N 2.97Å
617E94.7Very high95.2Very high80 Ų80103.3 Ų103.337%0.37451%0.509SS..Hα-helixtrans-66.7-41.2177.2-69.4-52.4130.300112.4N613 D614 S619 R620 F621N613-E617 PolarHBondContact O-N 2.95Å; D614-E617 PolarHBondContact O-N 3.32Å; E617-S619 PolarHBondContact O-N 3.23Å; E617-R620 WeakPolarHBondContact O-CB 3.41Å; E617-R620 PolarHBondContact O-N 3.03Å; E617-R620 VanDerWaalsContact O-N 3.13Å; E617-R620 WeakPolarHBondContact OE1-CD 3.45Å; E617-R620 IonicContact OE1-CZ 3.53Å; E617-R620 IonicContact OE1-NE 3.75Å; E617-R620 IonicContact OE1-NH1 2.66Å; E617-R620 PolarHBondContact OE1-NH1 3.12Å; E617-R620 IonicContact OE2-NH1 3.95Å; E617-F621 WeakPolarHBondContact O-CD2 3.4Å; E617-F621 PolarHBondContact O-N 3.47Å
618L94.8Very high94.8Very high122 Ų122104 Ų10464%0.63951%0.513SS*.Hα-helixtrans-60.9-34.8172.3-72.7170.3000112.2D614 R622D614-L618 WeakPolarHBondContact O-CB 3.48Å; D614-L618 VanDerWaalsContact O-CG 3.27Å; D614-L618 WeakPolarHBondContact O-CG 3.36Å; D614-L618 PolarHBondContact O-N 2.66Å; L618-R622 WeakPolarHBondContact O-CB 3.39Å; L618-R622 PolarHBondContact O-N 3.39Å
619S95.8Very high94.3Very high70 Ų70104 Ų10449%0.4952%0.519SS..Hα-helixtrans-67.1-42.6172.9-165.60000111.9A615 I616 E617 R622 T623A615-S619 WeakPolarHBondContact O-CB 3.43Å; A615-S619 PolarHBondContact O-N 2.99Å; A615-S619 VanDerWaalsContact O-N 3.11Å; I616-S619 WeakPolarHBondContact O-CB 3.32Å; I616-S619 PolarHBondContact O-N 3.33Å; E617-S619 PolarHBondContact O-N 3.23Å; S619-R622 PolarHBondContact O-N 3.22Å; S619-T623 PolarHBondContact O-N 3Å; S619-T623 PolarHBondContact O-OG1 3.22Å; S619-T623 VanDerWaalsContact O-OG1 3.14Å
620R95.5Very high93.6Very high145 Ų145101.1 Ų101.155%0.54751%0.514SS..Hα-helixtrans-59.4-49.1173.6-72.7169.6162.4-172.7-9.6111.8I616 E617 R622 T623 I624I616-R620 WeakPolarHBondContact O-CG 3.41Å; I616-R620 PolarHBondContact O-N 2.97Å; E617-R620 WeakPolarHBondContact O-CB 3.41Å; E617-R620 PolarHBondContact O-N 3.03Å; E617-R620 VanDerWaalsContact O-N 3.13Å; E617-R620 WeakPolarHBondContact OE1-CD 3.45Å; E617-R620 IonicContact OE1-CZ 3.53Å; E617-R620 IonicContact OE1-NE 3.75Å; E617-R620 IonicContact OE1-NH1 2.66Å; E617-R620 PolarHBondContact OE1-NH1 3.12Å; E617-R620 IonicContact OE2-NH1 3.95Å; R620-R622 VanDerWaalsContact C-N 3.34Å; R620-R622 PolarHBondContact O-N 3.3Å; R620-T623 PolarHBondContact O-N 3.11Å; R620-I624 WeakPolarHBondContact O-CG1 3.39Å; R620-I624 PolarHBondContact O-N 3.43Å; R620-I624 VanDerWaalsContact O-N 3.08Å
621F96.8Very high92.8Very high129 Ų129100.8 Ų100.857%0.56651%0.513SS*.Hα-helixtrans-59.5-41.6175.5-88.6-73.9000112.5E617 T623 I624 L625E617-F621 WeakPolarHBondContact O-CD2 3.4Å; E617-F621 PolarHBondContact O-N 3.47Å; F621-T623 PolarHBondContact O-N 3Å; F621-I624 PolarHBondContact O-N 3.44Å; F621-L625 WeakPolarHBondContact O-CG 3.34Å; F621-L625 PolarHBondContact O-N 3.43Å
622R95.7Very high91.8Very high174 Ų17496 Ų9666%0.65751%0.507SS*.Hα-helixtrans-60.9-42.4175.5-177.9180176.1-179.30.3112.2L618 S619 R620 L625 M626L618-R622 WeakPolarHBondContact O-CB 3.39Å; L618-R622 PolarHBondContact O-N 3.39Å; S619-R622 PolarHBondContact O-N 3.22Å; R620-R622 VanDerWaalsContact C-N 3.34Å; R620-R622 PolarHBondContact O-N 3.3Å; R622-L625 PolarHBondContact O-N 3.34Å; R622-M626 HydrophobicContact CG-SD 4.39Å; R622-M626 WeakPolarHBondContact O-CG 3.43Å; R622-M626 PolarHBondContact O-N 3.04Å
623T95.2Very high90.2Very high71 Ų7199.6 Ų99.644%0.43652%0.518SS..Hα-helixtrans-62.8-42.9176.7-58.20000111.7S619 R620 F621 M626 Q627S619-T623 PolarHBondContact O-N 3Å; S619-T623 PolarHBondContact O-OG1 3.22Å; S619-T623 VanDerWaalsContact O-OG1 3.14Å; R620-T623 PolarHBondContact O-N 3.11Å; F621-T623 PolarHBondContact O-N 3Å; T623-M626 PolarHBondContact O-N 3.14Å; T623-Q627 WeakPolarHBondContact O-CG 3.44Å; T623-Q627 PolarHBondContact O-N 3.08Å
624I93.9Very high88.5Confident86 Ų86100 Ų10044%0.44152%0.52SS..Hα-helixtrans-62.9-43.5177.3-65.8165.2000110.9R620 F621 Q627 L628R620-I624 WeakPolarHBondContact O-CG1 3.39Å; R620-I624 PolarHBondContact O-N 3.43Å; R620-I624 VanDerWaalsContact O-N 3.08Å; F621-I624 PolarHBondContact O-N 3.44Å; I624-Q627 PolarHBondContact O-N 2.91Å; I624-L628 HydrophobicContact CG2-CD1 4.12Å; I624-L628 WeakPolarHBondContact O-CG 3.49Å; I624-L628 PolarHBondContact O-N 3.29Å
625L92Very high86.6Confident102 Ų102101.1 Ų101.153%0.53453%0.525SS..Hα-helixtrans-60.8-45.8176-71.2170000111.8F621 R622 Q627 L628 D629F621-L625 WeakPolarHBondContact O-CG 3.34Å; F621-L625 PolarHBondContact O-N 3.43Å; R622-L625 PolarHBondContact O-N 3.34Å; L625-Q627 VanDerWaalsContact C-N 3.26Å; L625-Q627 PolarHBondContact O-N 3.03Å; L625-L628 PolarHBondContact O-N 3.02Å; L625-L628 VanDerWaalsContact O-N 3.11Å; L625-D629 PolarHBondContact O-N 2.77Å
626M90.6Very high84.6Confident118 Ų118102.2 Ų102.258%0.58153%0.53SS*.Hα-helixtrans-61.7-31.9176.4-71.91806200113.3R622 T623 A630R622-M626 HydrophobicContact CG-SD 4.39Å; R622-M626 WeakPolarHBondContact O-CG 3.43Å; R622-M626 PolarHBondContact O-N 3.04Å; T623-M626 PolarHBondContact O-N 3.14Å; M626-A630 WeakPolarHBondContact O-CB 3.39Å; M626-A630 PolarHBondContact O-N 3.31Å; M626-A630 VanDerWaalsContact O-N 3.15Å
627Q90.2Very high82.4Confident114 Ų114101.1 Ų101.153%0.53353%0.53SS..Hα-helixtrans-71.2-39.1173.5-72.5172.3-24.600112.1T623 I624 L625 A630 N631T623-Q627 WeakPolarHBondContact O-CG 3.44Å; T623-Q627 PolarHBondContact O-N 3.08Å; I624-Q627 PolarHBondContact O-N 2.91Å; L625-Q627 VanDerWaalsContact C-N 3.26Å; L625-Q627 PolarHBondContact O-N 3.03Å; Q627-A630 PolarHBondContact O-N 3.37Å; Q627-N631 WeakPolarHBondContact O-CB 3.36Å; Q627-N631 PolarHBondContact O-N 3.12Å; Q627-N631 PolarHBondContact O-ND2 3.1Å; Q627-N631 PolarHBondContact O-OD1 3.08Å
628L87.8Confident80.4Confident102 Ų102102.8 Ų102.853%0.53454%0.541SS..Hα-helixtrans-67.4-42.5176.3-68.4170.4000112I624 L625 A630 N631 S632I624-L628 HydrophobicContact CG2-CD1 4.12Å; I624-L628 WeakPolarHBondContact O-CG 3.49Å; I624-L628 PolarHBondContact O-N 3.29Å; L625-L628 PolarHBondContact O-N 3.02Å; L625-L628 VanDerWaalsContact O-N 3.11Å; L628-A630 VanDerWaalsContact C-N 3.35Å; L628-A630 PolarHBondContact O-N 3.43Å; L628-N631 PolarHBondContact O-N 3.11Å; L628-S632 WeakPolarHBondContact O-CB 3.49Å; L628-S632 PolarHBondContact O-N 3.16Å
629D85Confident78.3Confident105 Ų105105.2 Ų105.256%0.56155%0.549SS*.Hα-helixtrans-61-43.8175.1-68.7-26.2000111.2L625 S632 L633L625-D629 PolarHBondContact O-N 2.77Å; D629-S632 PolarHBondContact O-N 3.33Å; D629-L633 PolarHBondContact O-N 3.01Å; D629-L633 VanDerWaalsContact O-N 3.12Å
630A83.4Confident76.2Confident44 Ų44108.3 Ų108.336%0.36456%0.559SS.*Hα-helixtrans-62.9-42.8176.400000112.5M626 Q627 L628 L633 I634M626-A630 WeakPolarHBondContact O-CB 3.39Å; M626-A630 PolarHBondContact O-N 3.31Å; M626-A630 VanDerWaalsContact O-N 3.15Å; Q627-A630 PolarHBondContact O-N 3.37Å; L628-A630 VanDerWaalsContact C-N 3.35Å; L628-A630 PolarHBondContact O-N 3.43Å; A630-L633 WeakPolarHBondContact O-CB 3.49Å; A630-L633 PolarHBondContact O-N 3.49Å; A630-I634 WeakPolarHBondContact O-CG1 3.46Å; A630-I634 PolarHBondContact O-N 3.32Å; A630-I634 VanDerWaalsContact O-N 3.16Å
631N77.9Confident73.7Confident95 Ų95108.8 Ų108.851%0.50857%0.572SS.*Hα-helixtrans-64.8-40.8177-68.2-10.6000111.9Q627 L628 L633 I634 D635Q627-N631 WeakPolarHBondContact O-CB 3.36Å; Q627-N631 PolarHBondContact O-N 3.12Å; Q627-N631 PolarHBondContact O-ND2 3.1Å; Q627-N631 PolarHBondContact O-OD1 3.08Å; L628-N631 PolarHBondContact O-N 3.11Å; N631-L633 VanDerWaalsContact C-N 3.28Å; N631-L633 PolarHBondContact O-N 3.15Å; N631-I634 PolarHBondContact O-N 3.38Å; N631-I634 VanDerWaalsContact O-N 3.1Å; N631-D635 PolarHBondContact O-N 2.98Å; N631-D635 VanDerWaalsContact O-N 3.08Å
632S76.7Confident71.1Confident77 Ų77112.7 Ų112.754%0.53859%0.589SS.*Hα-helixtrans-62.5-33.5176.5-169.40000112.9L628 D629 S636L628-S632 WeakPolarHBondContact O-CB 3.49Å; L628-S632 PolarHBondContact O-N 3.16Å; D629-S632 PolarHBondContact O-N 3.33Å; S632-S636 WeakPolarHBondContact O-CB 3.36Å; S632-S636 PolarHBondContact O-N 3.5Å; S632-S636 PolarHBondContact O-OG 2.8Å
633L61.1Low68.2Low125 Ų125108.1 Ų108.165%0.65460%0.596SS**Hα-helixtrans-69-36.6172.2-84157.4000112.8D629 A630 N631 S636 S637D629-L633 PolarHBondContact O-N 3.01Å; D629-L633 VanDerWaalsContact O-N 3.12Å; A630-L633 WeakPolarHBondContact O-CB 3.49Å; A630-L633 PolarHBondContact O-N 3.49Å; N631-L633 VanDerWaalsContact C-N 3.28Å; N631-L633 PolarHBondContact O-N 3.15Å; L633-S636 WeakPolarHBondContact O-CB 3.45Å; L633-S636 PolarHBondContact O-N 3.39Å; L633-S637 PolarHBondContact O-N 3.08Å
634I62.5Low65.5Low94 Ų94111.5 Ų111.548%0.48262%0.617SS.*Hα-helixtrans-70.8-45.2-179.8-67.2162.5000111.4A630 N631 S636 S637A630-I634 WeakPolarHBondContact O-CG1 3.46Å; A630-I634 PolarHBondContact O-N 3.32Å; A630-I634 VanDerWaalsContact O-N 3.16Å; N631-I634 PolarHBondContact O-N 3.38Å; N631-I634 VanDerWaalsContact O-N 3.1Å; I634-S636 PolarHBondContact O-N 3.42Å; I634-S637 PolarHBondContact O-N 3.38Å; I634-S637 VanDerWaalsContact O-N 3.08Å; I634-S637 PolarHBondContact O-OG 3.31Å
635D56.7Low63Low123 Ų123111.5 Ų111.566%0.65863%0.63SS**Hα-helixtrans-60.2-33.6174-86.6-19000111.7N631 S637N631-D635 PolarHBondContact O-N 2.98Å; N631-D635 VanDerWaalsContact O-N 3.08Å; D635-S637 VanDerWaalsContact C-N 3.33Å; D635-S637 PolarHBondContact O-N 3.28Å
636S53.3Low60.5Low81 Ų81113.3 Ų113.357%0.56664%0.64SS**Hα-helixtrans-67.2-27.8176.2-60.50000113.6S632 L633 I634S632-S636 WeakPolarHBondContact O-CB 3.36Å; S632-S636 PolarHBondContact O-N 3.5Å; S632-S636 PolarHBondContact O-OG 2.8Å; L633-S636 WeakPolarHBondContact O-CB 3.45Å; L633-S636 PolarHBondContact O-N 3.39Å; I634-S636 PolarHBondContact O-N 3.42Å
637S52Low58.4Low66 Ų66117.1 Ų117.146%0.46265%0.649SS.*Hα-helixtrans-79.9-22.7-179.856.90000114.8L633 I634 D635 H639 I640L633-S637 PolarHBondContact O-N 3.08Å; I634-S637 PolarHBondContact O-N 3.38Å; I634-S637 VanDerWaalsContact O-N 3.08Å; I634-S637 PolarHBondContact O-OG 3.31Å; D635-S637 VanDerWaalsContact C-N 3.33Å; D635-S637 PolarHBondContact O-N 3.28Å; S637-H639 VanDerWaalsContact C-N 3.28Å; S637-H639 PolarHBondContact O-N 3.29Å; S637-I640 WeakPolarHBondContact O-CG1 3.32Å
638N52.2Low56.1Low116 Ų116119.2 Ų119.262%0.6266%0.659SS**THydrogen-bonded Turntrans-78.3-8.2-172.3-71.8-31.4000114.5
639H50.6Low53.9Low172 Ų172120.3 Ų120.380%0.79667%0.665SS**THydrogen-bonded Turntrans-101.43.3-175.1-116.9-59.8000115.6S637S637-H639 VanDerWaalsContact C-N 3.28Å; S637-H639 PolarHBondContact O-N 3.29Å
640I52Low52.1Low135 Ų135122.9 Ų122.969%0.69267%0.672SS**  trans-109.458.3-179.246.2171.1000112.9S637S637-I640 WeakPolarHBondContact O-CG1 3.32Å
641N41.9Very low50.1Low156 Ų156126.5 Ų126.583%0.83469%0.694SS**  trans-11699161.9-92.7-44.9000109.6
642F42.7Very low48.2Very low211 Ų211129 Ų12993%0.92571%0.707SS**  trans-74.3126.5170.7-112.2-95.5000109.4T644F642-T644 PolarHBondContact O-N 3.41Å
643G33.9Very low46.6Very low78 Ų78131.7 Ų131.780%0.80472%0.72SS**  trans-79.1115.9-176.200000113.5
644T40Very low45.5Very low141 Ų141133 Ų13387%0.86573%0.728SS**  trans-132.7116.6149.440.70000107.4F642F642-T644 PolarHBondContact O-N 3.41Å
645A41Very low44.6Very low86 Ų86135.2 Ų135.271%0.71175%0.746SS**  trans-80154174.900000110.7
646D40.1Very low43.6Very low140 Ų140136.1 Ų136.175%0.74975%0.751SS**  169.1129.8118.1-87.9-10.7000112.3
647Y44.9Very low42.9Very low199 Ų199141.8 Ų141.878%0.7877%0.765SS**  trans51.6118.7164.4-68.3-91.6000119.3
648E43.4Very low42.3Very low158 Ų158143.9 Ų143.974%0.73878%0.776SS**  59.613989.7-61.5-156.5172.300114.9
649D41.7Very low41.6Very low124 Ų124146.3 Ų146.366%0.66378%0.783SS**  cis-142.3-172.421.4-164.313.2000113.5
650K46.4Very low41Very low160 Ų160142.2 Ų142.270%0.69677%0.774SS**  trans-87.4149.8-165.9-50.7149.7-160.379.30114.2
651S40.3Very low40.3Very low119 Ų119142.4 Ų142.483%0.83278%0.777SS**  trans-152.1140.5140.754.60000112
652L38.9Very low40.1Very low148 Ų148140.2 Ų140.278%0.77577%0.769SS**  trans-92.8153.4165.7-77.172.5000108.4
653T43Very low39.9Very low133 Ų133137 Ų13782%0.81676%0.761SS**  178.6137.2103.5370000110.6
654D37.1Very low39.9Very low152 Ų152138.9 Ų138.981%0.81376%0.758SS**  trans-68.3153.1170.9-45.3-90000112.3
655T43.9Very low39.8Very low142 Ų142140 Ų14087%0.87176%0.757SS**  trans-166.3132142.4-2.70000110.7
656D36Very low39.6Very low142 Ų142143.6 Ų143.676%0.75976%0.764SS**  trans-65.3152.3168.4-65-73.1000111.7
657F39.3Very low39.4Very low199 Ų199144.3 Ų144.387%0.87376%0.763SS**  -174.6161.5105.5-108.9-84.9000112.3
658T38.4Very low39.1Very low111 Ų111143.8 Ų143.868%0.68176%0.764SS**  trans-55.7163.8176.154.20000113
659E38.6Very low38.6Very low166 Ų166141.7 Ų141.778%0.77677%0.767SS**  cis-170.1160.636-155.2165.5-158.100112.9
660S37.5Very low38.3Very low86 Ų86141.7 Ų141.760%0.60177%0.772SS**  trans50.5117.2152.864.30000121.7
661N36.6Very low37.7Very low140 Ų140141.8 Ų141.875%0.74978%0.78SS**  -177.1136.190.2-101.3-48.7000116.3
662T39Very low37.3Very low109 Ų109146 Ų14667%0.66978%0.783SS**  trans21.6122.9150.460.40000121.4
663N37.3Very low37.1Very low143 Ų143151 Ų15177%0.76579%0.792SS**  -164.5122.6101.8-111.3-55.1000116.3
664T34.7Very low36.9Very low119 Ų119153.4 Ų153.473%0.7379%0.791SS**  trans42.696.3137.8-48.90000120.3
665I36.7Very low36.8Very low165 Ų165153.3 Ų153.385%0.84679%0.79SS**  trans-129.8121.7144.8-63.9-178.4000108.2
666N37.4Very low36.6Very low160 Ų160151.4 Ų151.486%0.85678%0.78SS**  trans-95.6135.9178.1-127.7-25.5000110.8
667Q36.1Very low36.4Very low156 Ų156151.7 Ų151.773%0.72978%0.781SS**  trans-91.9147.1-170-56.3171-1.500112.2
668K38Very low36.3Very low187 Ų187148.7 Ų148.781%0.81377%0.774SS**  177.7134100.9-96.7159.7-174.1173.30113.2
669S33.7Very low36.1Very low115 Ų115151.5 Ų151.580%0.80478%0.78SS**  trans-142.1131.7156.7-82.10000108.8
670V35.1Very low36.1Very low124 Ų124150.5 Ų150.575%0.75279%0.785SS**  trans25.4121.3152-171.20000118
671N35Very low36Very low161 Ų161154.9 Ų154.986%0.86180%0.796SS**  -165.4132.8126.7-99.7-42.7000113.7
672F31.4Very low36.1Very low208 Ų208156.9 Ų156.991%0.91280%0.801SS**  trans-92136.3163-92.5-99.5000109.2
673R34.5Very low35.9Very low253 Ų253157.5 Ų157.596%0.95580%0.8SS**  trans-152.2170.2149.5-123175.6-176.6-173-0.7112.3
674K38.2Very low36Very low184 Ų184156.4 Ų156.480%0.880%0.801SS**  trans-115.6147-157.5-52.6175.8178.9-178.20112.2
675N34.6Very low36.1Very low149 Ų149161 Ų16180%0.79781%0.805SS**  trans61.5167.3139.9-68.631.2000119.1
676P40.2Very low36.1Very low102 Ų102158.3 Ų158.366%0.66279%0.792SS**  cis-140.9-168.5-47.742.1-25.9000113.4
677L32.9Very low36.1Very low148 Ų148157.2 Ų157.278%0.77578%0.782SS**  trans78.3166.5155.1-74.3169.9000120.3
678N35.8Very low35.9Very low137 Ų137155.6 Ų155.673%0.73378%0.778SS**  trans69.9108.8-172-59.927.1000113.6
679E34.2Very low35.8Very low169 Ų169154.2 Ų154.279%0.7978%0.775SS**  76.2111.855-66-179.8179.800114.3
680T39.1Very low35.8Very low145 Ų145155 Ų15589%0.8977%0.77SS**  trans-164.9158.8136.7-65.90000107.5
681E34.9Very low35.7Very low179 Ų179156.3 Ų156.384%0.83677%0.771SS**  trans-93.5-162.9-152.2-55.317095.800116.6
682E40.5Very low35.5Very low182 Ų182151.6 Ų151.685%0.8576%0.761SS**  trans87.4139.6164.2-57.8-155.7143.700119.9
683N33.9Very low35.6Very low121 Ų121149.2 Ų149.265%0.64776%0.757SS**  cis-164.4125.2-28.7-165.7-16.5000108.7
684P38.5Very low35.4Very low121 Ų121145.8 Ų145.879%0.78675%0.749SS**  trans-91.3124-175.833.3-33.2000114.7
685R36.9Very low35.1Very low214 Ų214142.5 Ų142.581%0.80874%0.74SS**  trans-153.9151.1170.3-81-167-172.7171.63.4108.6
686D38.2Very low35Very low109 Ų109141.6 Ų141.658%0.58374%0.735SS**  cis-160.9163.5-5.6-127.3-35.2000111.2
687Q36.4Very low34.9Very low138 Ų138146.4 Ų146.465%0.64575%0.746SS**  trans64141.3142.3-78.4164.357.800124.3
688N33.3Very low34.7Very low121 Ų121146.4 Ų146.465%0.64775%0.747SS**  trans73.5144141.6-62.91.8000119.8
689E34.1Very low34.8Very low158 Ų158148.8 Ų148.874%0.73875%0.753SS**  cis172.1158.7-20.7-116.8177.9-169.400105.9
690N35Very low34.8Very low132 Ų132146 Ų14671%0.70675%0.748SS**  trans106.7119.9175-63.4-77.7000114.3
691I32.2Very low34.8Very low151 Ų151145.5 Ų145.577%0.77474%0.74SS**  63.1122.659.2-55.4168.8000110.1L693I691-L693 HydrophobicContact CG2-CD1 4.41Å
692G30.5Very low34.9Very low62 Ų62145.5 Ų145.564%0.63974%0.737SS**  cis163.1-165.10.700000110.4
693L34.2Very low34.8Very low158 Ų158143.9 Ų143.983%0.82773%0.734SS**  trans66.8168.1173.7-68.779.6000116.8I691I691-L693 HydrophobicContact CG2-CD1 4.41Å
694F30Very low35.1Very low181 Ų181147.5 Ų147.579%0.79474%0.744SS**  -172.7163.6-56-129.9-84.9000107.5
695D32.8Very low35.1Very low115 Ų115146.9 Ų146.962%0.61574%0.742SS**  trans62.3111.7156-83.9-44.6000123.4
696N32.2Very low35.3Very low131 Ų131143 Ų14370%0.70174%0.743SS**  37.8121.6112.2-71.1-61.9000120.5
697K38.2Very low35.2Very low202 Ų202143.1 Ų143.188%0.87875%0.752SS**  -165.5149.3116-101.9140.5-163.9156.60115
698N29.2Very low35.7Very low149 Ų149143 Ų14380%0.79776%0.761SS**  trans-72.3154.1176-52.9-71.6000112.7
699Q37.8Very low36Very low186 Ų186146.3 Ų146.387%0.86977%0.769SS**  -167.1112.3119.6-106.9171.513.500116.2
700T34.5Very low36.4Very low110 Ų110144.6 Ų144.668%0.67577%0.771SS**  trans3.1135.214355.20000122
701N38.2Very low36.9Very low135 Ų135143.5 Ų143.572%0.72277%0.774SS**  -176.7126.8114-91.6-43.1000110.5
702K36.6Very low37.3Very low179 Ų179144.2 Ų144.278%0.77878%0.779SS**  66.8128.480.6-84.1-170.7-179.7173.20113.5
703L39.5Very low38.2Very low149 Ų149152.9 Ų152.978%0.7879%0.792SS**  cis-139.2-173.23-63.5105.3000109.3
704K38.9Very low38.8Very low196 Ų196151.3 Ų151.385%0.85279%0.792SS**  cis-158.1166.118.4-152.4170.2-177.4-179.50112.2
705S38.3Very low39.4Very low108 Ų108154 Ų15476%0.75580%0.797SS**  trans-73.1170-168.9-30.10000115.1
706T40.7Very low40.3Very low134 Ų134154.6 Ų154.682%0.82281%0.806SS**  -155.7147.455.744.30000117.5
707S37.4Very low41Very low111 Ų111154.5 Ų154.578%0.77681%0.81SS**  trans5.9150.4143.9-115.90000120.9
708V45.6Very low41.4Very low136 Ų136150 Ų15082%0.82480%0.802SS**  cis-141.2162.338.2174.90000112.6
709K41.2Very low42.5Very low189 Ų189149.5 Ų149.582%0.82280%0.804SS**  trans-148.5144.9-177.7-159177.7-168.8176.20112.9
710P42.3Very low42.4Very low122 Ų122151.3 Ų151.379%0.79281%0.805SS**  -145.1174126.737.7-23.5000112.3
711S44.8Very low43Very low110 Ų110149.5 Ų149.577%0.76981%0.807SS**  cis-160.8152.6-32.3-176.20000107.5
712L40.6Very low43.1Very low165 Ų165149.6 Ų149.686%0.86481%0.813SS**  trans-126.9150.3-176.7-78.5166.7000111.8
713R50.1Low43.4Very low244 Ų244146.9 Ų146.992%0.92181%0.811SS**  trans-117.7141.8164-79.5-167177.2-155.31.9110.7
714P46.1Very low43.5Very low126 Ų126144 Ų14482%0.81880%0.804SS**PPolyproline II helixtrans-87.9169.7-177.436.1-36.6000113.6
715R43.3Very low43.6Very low238 Ų238141.4 Ų141.490%0.89880%0.799SS**PPolyproline II helixtrans-100.9147.3169.2-54.6-176.2-164.9-140.24.7110.7
716P51Low43.7Very low126 Ų126143.1 Ų143.182%0.81880%0.798SS**PPolyproline II helixtrans-84.1168.3170.535.3-34.8000112.7
717V47Very low43.9Very low129 Ų129141.5 Ų141.578%0.78279%0.793SS**  trans-110.8140.2-178.7-173.10000110
718P45.6Very low44.3Very low108 Ų108147.6 Ų147.670%0.70182%0.817SS**PPolyproline II helixtrans-90.5126172.233.6-30.3000112
719T53Low44.2Very low138 Ų138148.2 Ų148.285%0.84782%0.816SS**PPolyproline II helixtrans-99129.2169.1-52.90000109.2
720Y36.5Very low44.4Very low225 Ų225146.1 Ų146.188%0.88282%0.816SS**PPolyproline II helixtrans-83.4138.5172.7-85.2-89.6000111.3
721G46.1Very low44.5Very low71 Ų71147.4 Ų147.473%0.73282%0.817SS**  trans-148.9116.2175.800000111.5
722T40.5Very low44.5Very low138 Ų138149.6 Ų149.685%0.84782%0.82SS**  trans-63.2161.5167.4-8.40000109.9
723V42.8Very low44.7Very low121 Ų121148.6 Ų148.673%0.73382%0.817SS**  cis-155.2171.123.9-147.30000110.7
724S41Very low44.4Very low90 Ų90142.3 Ų142.363%0.62981%0.811SS**  trans77.1108.2141.5-66.70000122.4
725N40.8Very low44.3Very low140 Ų140143.4 Ų143.475%0.74981%0.81SS**  81.3132.5117.2-72.82.8000124.2
726I40.8Very low44.3Very low144 Ų144136.2 Ų136.274%0.73880%0.803SS**  trans86.9104137.5-71.2166.3000119.1
727S45.5Very low43.8Very low100 Ų100137 Ų13770%0.69980%0.802SS**  trans52.7116135.7-49.60000121.7
728N45.8Very low43.5Very low240 Ų240137.7 Ų137.7100%1.28380%0.804SS**  -143.2096.7-95-26.3000110

Retrieved 728 of 728 residues in 604.9 ms (Link to these results)

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