A0A077ZKK5_TRITR Loading...

MR MLE and MR MLE C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKK5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 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
1M82.4Confident96.9Very high118 Ų11868 Ų6858%0.58136%0.362SS*.  0133.80-179.3-173.8-57.100106.6V6 V28 L29M1-V6 HydrophobicContact CG-CG2 3.73Å; M1-V6 HydrophobicContact SD-CG2 4.03Å; M1-V28 HydrophobicContact CE-CG1 4.24Å; M1-L29 HydrophobicContact CB-CD1 4.05Å
2T96.2Very high97.1Very high74 Ų7466 Ų6645%0.45436%0.362SS..  trans-126.3153.8178.461.40000109.7D4 A5 V6T2-D4 PolarHBondContact O-N 2.62Å; T2-A5 PolarHBondContact O-N 2.99Å; T2-A5 VanDerWaalsContact O-N 3.11Å; T2-A5 WeakPolarHBondContact OG1-CB 3.25Å; T2-A5 PolarHBondContact OG1-N 3.45Å; T2-V6 WeakPolarHBondContact O-CG2 3.23Å; T2-V6 PolarHBondContact O-N 3.39Å
3P97.7Very high97.2Very high43 Ų4362 Ų6228%0.27934%0.343SS..Hα-helixtrans-51.1-43.6175.4-29.836.5000113A5 V6 V7 E36 A40P3-A5 PolarHBondContact O-N 3.34Å; P3-V6 PolarHBondContact O-N 2.89Å; P3-V7 WeakPolarHBondContact O-CG2 3.46Å; P3-V7 PolarHBondContact O-N 2.68Å; P3-E36 HydrophobicContact CG-CB 4.07Å; P3-A40 HydrophobicContact CB-CB 4.01Å
4D98.2Very high97.3Very high132 Ų13265.8 Ų65.871%0.70635%0.351SS*.Hα-helixtrans-62-41.6179.2-66.2-19.9000112.8T2 V6 V7 R8T2-D4 PolarHBondContact O-N 2.62Å; D4-V6 VanDerWaalsContact C-N 3.34Å; D4-V7 PolarHBondContact O-N 3.08Å; D4-R8 WeakPolarHBondContact O-CB 3.27Å; D4-R8 PolarHBondContact O-N 3.38Å
5A98.6Very high97.4Very high48 Ų4872.1 Ų72.140%0.39738%0.377SS..Hα-helixtrans-67.3-37.7177.700000111.6T2 P3 R8 L9T2-A5 PolarHBondContact O-N 2.99Å; T2-A5 VanDerWaalsContact O-N 3.11Å; T2-A5 WeakPolarHBondContact OG1-CB 3.25Å; T2-A5 PolarHBondContact OG1-N 3.45Å; P3-A5 PolarHBondContact O-N 3.34Å; A5-R8 PolarHBondContact O-N 3.12Å; A5-L9 WeakPolarHBondContact O-CG 3.46Å; A5-L9 PolarHBondContact O-N 3.03Å
6V98.7Very high97.5Very high13 Ų1375.9 Ų75.98%0.07939%0.39CS..Hα-helixtrans-64.8-45.3175.3173.80000110.7M1 T2 P3 D4 R8 L9 A10 L24 L41M1-V6 HydrophobicContact CG-CG2 3.73Å; M1-V6 HydrophobicContact SD-CG2 4.03Å; T2-V6 WeakPolarHBondContact O-CG2 3.23Å; T2-V6 PolarHBondContact O-N 3.39Å; P3-V6 PolarHBondContact O-N 2.89Å; D4-V6 VanDerWaalsContact C-N 3.34Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 2.85Å; V6-L9 PolarHBondContact O-N 3.35Å; V6-A10 PolarHBondContact O-N 3.14Å; V6-L24 HydrophobicContact CG1-CD1 3.99Å; V6-L24 HydrophobicContact CG1-CD2 4.31Å; V6-L24 HydrophobicContact CG2-CD1 4.33Å; V6-L41 HydrophobicContact CG1-CD1 3.69Å; V6-L41 HydrophobicContact CG1-CD2 4.22Å; V6-L41 HydrophobicContact CG1-CG 4.01Å
7V98.8Very high97.6Very high19 Ų1972.9 Ų72.912%0.11537%0.373CS..Hα-helixtrans-61.2-42.5175172.50000110.9P3 D4 L9 A10 E11 A40 L41 R44P3-V7 WeakPolarHBondContact O-CG2 3.46Å; P3-V7 PolarHBondContact O-N 2.68Å; D4-V7 PolarHBondContact O-N 3.08Å; V7-L9 VanDerWaalsContact C-N 3.31Å; V7-L9 PolarHBondContact O-N 2.81Å; V7-A10 PolarHBondContact O-N 3.22Å; V7-A10 VanDerWaalsContact O-N 3.13Å; V7-E11 HydrophobicContact CG1-CG 4.35Å; V7-E11 WeakPolarHBondContact O-CG 3.4Å; V7-E11 PolarHBondContact O-N 2.87Å; V7-A40 HydrophobicContact CG2-CB 3.72Å; V7-L41 HydrophobicContact CG2-CD2 4.28Å; V7-L41 HydrophobicContact CG2-CG 4.42Å; V7-R44 HydrophobicContact CG1-CB 4.02Å; V7-R44 HydrophobicContact CG1-CG 3.84Å
8R98.8Very high97.6Very high140 Ų14069.9 Ų69.953%0.52836%0.362SS..Hα-helixtrans-62-38.6178.8-171.768.3-167.7101.51.9112.4D4 A5 V6 E11 A12D4-R8 WeakPolarHBondContact O-CB 3.27Å; D4-R8 PolarHBondContact O-N 3.38Å; A5-R8 PolarHBondContact O-N 3.12Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 2.85Å; R8-E11 IonicContact NH1-OE2 3.35Å; R8-E11 PolarHBondContact O-N 3.46Å; R8-A12 PolarHBondContact O-N 3.41Å; R8-A12 VanDerWaalsContact O-N 3.08Å
9L98.8Very high97.7Very high101 Ų10167.9 Ų67.953%0.52935%0.351SS..Hα-helixtrans-62.6-46.1172.6-73.8169.1000111.4A5 V6 V7 E11 A12 A13A5-L9 WeakPolarHBondContact O-CG 3.46Å; A5-L9 PolarHBondContact O-N 3.03Å; V6-L9 PolarHBondContact O-N 3.35Å; V7-L9 VanDerWaalsContact C-N 3.31Å; V7-L9 PolarHBondContact O-N 2.81Å; L9-E11 VanDerWaalsContact C-N 3.32Å; L9-E11 PolarHBondContact O-N 3.41Å; L9-A12 PolarHBondContact O-N 2.82Å; L9-A13 WeakPolarHBondContact O-CB 3.38Å; L9-A13 PolarHBondContact O-N 2.94Å
10A98.8Very high97.7Very high8 Ų869.8 Ų69.87%0.06636%0.361CS..Hα-helixtrans-62.2-38.7178.100000112.3V6 V7 A13 Y14 F22 L41 F45V6-A10 PolarHBondContact O-N 3.14Å; V7-A10 PolarHBondContact O-N 3.22Å; V7-A10 VanDerWaalsContact O-N 3.13Å; A10-A13 PolarHBondContact O-N 2.98Å; A10-Y14 VanDerWaalsContact O-CB 3.23Å; A10-Y14 WeakPolarHBondContact O-CB 3.39Å; A10-Y14 PolarHBondContact O-N 3.17Å; A10-F22 HydrophobicContact CB-CD1 4.11Å; A10-F22 HydrophobicContact CB-CE1 3.91Å; A10-F22 HydrophobicContact CB-CZ 4.36Å; A10-L41 HydrophobicContact CB-CD2 3.39Å; A10-F45 HydrophobicContact CB-CE2 3.71Å; A10-F45 HydrophobicContact CB-CZ 4.33Å
11E98.9Very high97.8Very high52 Ų5268.7 Ų68.724%0.24336%0.356CS..Hα-helixtrans-63.3-45.4173.9-70.9-178.614100112.9V7 R8 L9 Y14 E15 R44 F45V7-E11 HydrophobicContact CG1-CG 4.35Å; V7-E11 WeakPolarHBondContact O-CG 3.4Å; V7-E11 PolarHBondContact O-N 2.87Å; R8-E11 IonicContact NH1-OE2 3.35Å; R8-E11 PolarHBondContact O-N 3.46Å; L9-E11 VanDerWaalsContact C-N 3.32Å; L9-E11 PolarHBondContact O-N 3.41Å; E11-Y14 PolarHBondContact O-N 2.84Å; E11-E15 WeakPolarHBondContact O-CB 3.16Å; E11-E15 PolarHBondContact O-N 2.75Å; E11-R44 HydrophobicContact CG-CG 4.44Å; E11-R44 IonicContact OE1-CZ 2.73Å; E11-R44 IonicContact OE1-NE 2.94Å; E11-R44 PolarHBondContact OE1-NE 3.29Å; E11-R44 IonicContact OE1-NH2 2.66Å; E11-R44 PolarHBondContact OE1-NH2 3Å; E11-R44 VanDerWaalsContact OE1-NH2 3.14Å; E11-F45 HydrophobicContact CG-CE2 4.44Å; E11-F45 HydrophobicContact CG-CZ 4.07Å
12A98.9Very high98.6Very high44 Ų4464.3 Ų64.336%0.36433%0.334SS..Hα-helixtrans-65.6-40.1177.700000111.7R8 L9 E15 K16R8-A12 PolarHBondContact O-N 3.41Å; R8-A12 VanDerWaalsContact O-N 3.08Å; L9-A12 PolarHBondContact O-N 2.82Å; A12-E15 PolarHBondContact O-N 3.41Å; A12-K16 WeakPolarHBondContact O-CB 3.33Å; A12-K16 PolarHBondContact O-N 2.83Å
13A98.8Very high98.7Very high14 Ų1464 Ų6412%0.11633%0.326CS..Hα-helixtrans-66.5-40.2175.400000111.8L9 A10 K16 Y17 F19L9-A13 WeakPolarHBondContact O-CB 3.38Å; L9-A13 PolarHBondContact O-N 2.94Å; A10-A13 PolarHBondContact O-N 2.98Å; A13-K16 PolarHBondContact O-N 2.88Å; A13-Y17 HydrophobicContact CB-CD2 4.45Å; A13-Y17 WeakPolarHBondContact O-CB 3.49Å; A13-Y17 WeakPolarHBondContact O-CD2 3.37Å; A13-Y17 PolarHBondContact O-N 3.43Å; A13-F19 HydrophobicContact CB-CD2 4.09Å; A13-F19 HydrophobicContact CB-CE2 4.28Å
14Y98.7Very high98.7Very high115 Ų11563 Ų6345%0.45132%0.318SS..Hα-helixtrans-60.4-48.2172.9174.2-101.1000111.5A10 E11 K16 G18 F19 F45A10-Y14 VanDerWaalsContact O-CB 3.23Å; A10-Y14 WeakPolarHBondContact O-CB 3.39Å; A10-Y14 PolarHBondContact O-N 3.17Å; E11-Y14 PolarHBondContact O-N 2.84Å; Y14-K16 VanDerWaalsContact C-N 3.33Å; Y14-K16 PolarHBondContact O-N 3.18Å; Y14-G18 WeakPolarHBondContact O-CA 3.5Å; Y14-G18 PolarHBondContact O-N 3.33Å; Y14-F19 VanDerWaalsContact CD2-O 3.24Å; Y14-F19 WeakPolarHBondContact CD2-O 3.35Å; Y14-F45 HydrophobicContact CD1-CE1 4.35Å; Y14-F45 HydrophobicContact CD2-CE1 4.16Å; Y14-F45 AromaticContact CG-CE1 3.89Å; Y14-F45 HydrophobicContact CG-CE1 3.89Å
15E98.8Very high98.8Very high160 Ų16060.7 Ų60.775%0.74830%0.302SS*.Hα-helixtrans-60.1-43.3179.3-176.2-178.217000111.9E11 A12E11-E15 WeakPolarHBondContact O-CB 3.16Å; E11-E15 PolarHBondContact O-N 2.75Å; A12-E15 PolarHBondContact O-N 3.41Å
16K98.8Very high98.8Very high133 Ų13358.5 Ų58.558%0.57828%0.284SS*.Hα-helixtrans-77.9-41.2-175.9176.460.2179.2171.60113.7A12 A13 Y14 E191A12-K16 WeakPolarHBondContact O-CB 3.33Å; A12-K16 PolarHBondContact O-N 2.83Å; A13-K16 PolarHBondContact O-N 2.88Å; Y14-K16 VanDerWaalsContact C-N 3.33Å; Y14-K16 PolarHBondContact O-N 3.18Å; K16-E191 WeakPolarHBondContact CE-OE2 3.35Å; K16-E191 IonicContact NZ-OE2 3.65Å
17Y98.8Very high98.7Very high26 Ų2658.6 Ų58.610%0.10229%0.288CS..Hα-helixtrans-118.3-16.7-169.3-53.7-72.8000113.9A13 F19 I188 E191 I203 K204 G205 G206A13-Y17 HydrophobicContact CB-CD2 4.45Å; A13-Y17 WeakPolarHBondContact O-CB 3.49Å; A13-Y17 WeakPolarHBondContact O-CD2 3.37Å; A13-Y17 PolarHBondContact O-N 3.43Å; Y17-F19 VanDerWaalsContact CB-CE2 3.44Å; Y17-F19 HydrophobicContact CD2-CD2 4.34Å; Y17-F19 AromaticContact CD2-CE2 3.53Å; Y17-F19 HydrophobicContact CD2-CE2 3.53Å; Y17-F19 HydrophobicContact CD2-CZ 4.21Å; Y17-F19 AromaticContact CG-CE2 3.75Å; Y17-F19 HydrophobicContact CG-CE2 3.75Å; Y17-F19 HydrophobicContact CG-CZ 4.07Å; Y17-I188 HydrophobicContact CD2-CB 4.42Å; Y17-I188 HydrophobicContact CD2-CG2 3.84Å; Y17-I188 HydrophobicContact CE1-CG2 4.46Å; Y17-I188 HydrophobicContact CE2-CB 3.74Å; Y17-I188 HydrophobicContact CE2-CG2 3.61Å; Y17-I188 HydrophobicContact CG-CG2 4.35Å; Y17-E191 HydrophobicContact CE1-CB 4.48Å; Y17-E191 HydrophobicContact CE1-CG 4.12Å; Y17-E191 PolarHBondContact OH-OE2 3.17Å; Y17-I203 HydrophobicContact CD1-CB 4.16Å; Y17-K204 CarbonylContact O-C 3.53Å; Y17-G205 PolarHBondContact O-N 3.36Å; Y17-G206 PolarHBondContact O-N 3.38Å
18G98.7Very high98.7Very high18 Ų1859.1 Ų59.119%0.18629%0.291CS..  trans7532.2178.200000115Y14 G205 G206Y14-G18 WeakPolarHBondContact O-CA 3.5Å; Y14-G18 PolarHBondContact O-N 3.33Å; G18-G205 CarbonylContact O-C 3.32Å; G18-G206 PolarHBondContact O-N 3.44Å
19F98.8Very high98.7Very high32 Ų3253.6 Ų53.614%0.1427%0.272CS..  trans-60.8140-178.4-68.1-62.8000113.6A13 Y14 Y17 F22 I188 I203A13-F19 HydrophobicContact CB-CD2 4.09Å; A13-F19 HydrophobicContact CB-CE2 4.28Å; Y14-F19 VanDerWaalsContact CD2-O 3.24Å; Y14-F19 WeakPolarHBondContact CD2-O 3.35Å; Y17-F19 VanDerWaalsContact CB-CE2 3.44Å; Y17-F19 HydrophobicContact CD2-CD2 4.34Å; Y17-F19 AromaticContact CD2-CE2 3.53Å; Y17-F19 HydrophobicContact CD2-CE2 3.53Å; Y17-F19 HydrophobicContact CD2-CZ 4.21Å; Y17-F19 AromaticContact CG-CE2 3.75Å; Y17-F19 HydrophobicContact CG-CE2 3.75Å; Y17-F19 HydrophobicContact CG-CZ 4.07Å; F19-F22 HydrophobicContact CB-CE1 3.98Å; F19-F22 HydrophobicContact CB-CZ 4.02Å; F19-I188 HydrophobicContact CE2-CG2 3.66Å; F19-I188 HydrophobicContact CZ-CG2 3.52Å; F19-I203 HydrophobicContact CE1-CD1 4.3Å; F19-I203 HydrophobicContact CE1-CG2 3.77Å; F19-I203 HydrophobicContact CZ-CD1 4.05Å; F19-I203 HydrophobicContact CZ-CG2 4.07Å
20N98.5Very high98.7Very high106 Ų10650.3 Ų50.357%0.56726%0.259SS*.SBendtrans-96.3-30.9171.4-62.8-70.5000112.3A48N20-A48 WeakPolarHBondContact O-CA 3.43Å; N20-A48 WeakPolarHBondContact O-CB 3.43Å
21D98.8Very high98.7Very high46 Ų4650.2 Ų50.225%0.24626%0.259CS..  trans-120.2149.7-173.5-65.6-22.6000110.2R49 A182D21-R49 WeakPolarHBondContact CA-O 3.23Å; D21-R49 HydrophobicContact CB-CB 4.26Å; D21-R49 WeakPolarHBondContact CB-O 3.29Å; D21-R49 VanDerWaalsContact OD1-CB 3.25Å; D21-R49 WeakPolarHBondContact OD1-CB 3.45Å; D21-R49 PolarHBondContact OD1-N 3.47Å; D21-R49 IonicContact OD2-NE 3.14Å; D21-A182 HydrophobicContact CB-CB 3.98Å
22F98.8Very high98.6Very high26 Ų2652 Ų5211%0.11427%0.267CS..EExtended strand (participates in β ladder)trans-135.3148.1-176.7-60.8-86.5000112.1A10 F19 F45 A48 R49 I50 T51A10-F22 HydrophobicContact CB-CD1 4.11Å; A10-F22 HydrophobicContact CB-CE1 3.91Å; A10-F22 HydrophobicContact CB-CZ 4.36Å; F19-F22 HydrophobicContact CB-CE1 3.98Å; F19-F22 HydrophobicContact CB-CZ 4.02Å; F22-F45 HydrophobicContact CE2-CB 4.26Å; F22-F45 AromaticContact CE2-CD1 3.99Å; F22-F45 HydrophobicContact CE2-CD1 3.99Å; F22-F45 HydrophobicContact CE2-CD2 4.01Å; F22-F45 HydrophobicContact CE2-CE1 4.31Å; F22-F45 HydrophobicContact CE2-CE2 4.33Å; F22-F45 AromaticContact CE2-CG 3.83Å; F22-F45 HydrophobicContact CE2-CG 3.83Å; F22-F45 HydrophobicContact CE2-CZ 4.47Å; F22-F45 HydrophobicContact CZ-CD1 4.38Å; F22-F45 HydrophobicContact CZ-CD2 4.47Å; F22-F45 HydrophobicContact CZ-CE1 4.24Å; F22-F45 HydrophobicContact CZ-CE2 4.35Å; F22-F45 HydrophobicContact CZ-CG 4.49Å; F22-F45 HydrophobicContact CZ-CZ 4.23Å; F22-A48 HydrophobicContact CD2-CB 3.99Å; F22-A48 HydrophobicContact CE2-CB 4.34Å; F22-R49 PolarHBondContact N-O 3.39Å; F22-I50 HydrophobicContact CB-CG1 4.4Å; F22-I50 VanDerWaalsContact O-CA 3.24Å; F22-I50 WeakPolarHBondContact O-CA 3.3Å; F22-T51 PolarHBondContact O-N 3.27Å; F22-T51 VanDerWaalsContact O-N 3.16Å
23K98.9Very high98.6Very high68 Ų6855.1 Ų55.130%0.29627%0.274SS..EExtended strand (participates in β ladder)trans-123.3132.7170.2168.8169.6170.7172.10108.8T51 D53 E78 D184K23-T51 HydrophobicContact CB-CG2 3.81Å; K23-T51 HydrophobicContact CD-CG2 3.92Å; K23-T51 HydrophobicContact CG-CG2 3.63Å; K23-D53 VanDerWaalsContact CE-OD2 3.29Å; K23-D53 WeakPolarHBondContact CE-OD2 3.49Å; K23-D53 IonicContact NZ-OD2 2.67Å; K23-D53 PolarHBondContact NZ-OD2 2.98Å; K23-E78 VanDerWaalsContact CE-OE2 3.26Å; K23-E78 WeakPolarHBondContact CE-OE2 3.42Å; K23-E78 IonicContact NZ-OE1 3.94Å; K23-E78 PolarHBondContact NZ-OE1 3.39Å; K23-E78 IonicContact NZ-OE2 3.81Å; K23-E78 PolarHBondContact NZ-OE2 3.12Å; K23-D184 WeakPolarHBondContact CD-OD2 3.27Å; K23-D184 IonicContact NZ-OD2 3.37Å; K23-D184 PolarHBondContact NZ-OD2 3.25Å
24L98.7Very high98.6Very high21 Ų2154.6 Ų54.611%0.1127%0.27CS..EExtended strand (participates in β ladder)trans-102.5125.4168.4-178.859.5000109.3V6 G26 I38 T51 L52 D53V6-L24 HydrophobicContact CG1-CD1 3.99Å; V6-L24 HydrophobicContact CG1-CD2 4.31Å; V6-L24 HydrophobicContact CG2-CD1 4.33Å; L24-G26 PolarHBondContact O-N 3.24Å; L24-I38 HydrophobicContact CB-CD1 3.84Å; L24-I38 HydrophobicContact CD2-CD1 4.02Å; L24-T51 PolarHBondContact N-O 3.25Å; L24-L52 HydrophobicContact CB-CD1 4.15Å; L24-L52 HydrophobicContact CD2-CD1 4.13Å; L24-L52 HydrophobicContact CG-CD1 4.07Å; L24-D53 PolarHBondContact O-N 2.67Å; L24-D53 VanDerWaalsContact O-N 3.12Å
25K98.7Very high98.6Very high84 Ų8449.2 Ų49.237%0.36525%0.248SC..EExtended strand (participates in β ladder)trans-70.2112.9165.7-177.966.8-87.9168.30108.2D53 N55K25-D53 WeakPolarHBondContact CE-O 3.48Å; K25-D53 PolarHBondContact NZ-O 3.32Å; K25-D53 IonicContact NZ-OD1 3.72Å; K25-D53 PolarHBondContact NZ-OD1 3.43Å; K25-D53 IonicContact NZ-OD2 3.41Å; K25-D53 PolarHBondContact NZ-OD2 2.86Å; K25-N55 WeakPolarHBondContact CE-OD1 3.4Å; K25-N55 PolarHBondContact NZ-ND2 3.17Å; K25-N55 PolarHBondContact NZ-OD1 3.1Å
26G98.4Very high98.6Very high3 Ų345.6 Ų45.63%0.03123%0.232CC..  trans-99.1-157.3171.900000112.4L24 V28 E34 D53L24-G26 PolarHBondContact O-N 3.24Å; G26-V28 PolarHBondContact O-N 3.12Å; G26-E34 VanDerWaalsContact CA-CD 3.46Å; G26-E34 VanDerWaalsContact CA-OE1 3.29Å; G26-E34 WeakPolarHBondContact CA-OE1 3.49Å; G26-E34 VanDerWaalsContact CA-OE2 3.23Å; G26-E34 WeakPolarHBondContact CA-OE2 3.23Å; G26-D53 CarbonylContact C-O 3.59Å; G26-D53 WeakPolarHBondContact CA-O 3.14Å; G26-D53 PolarHBondContact N-O 2.98Å
27G98.2Very high98.6Very high15 Ų1539.3 Ų39.316%0.15521%0.205CC..SBendtrans70.523.8-174.900000112.1E34 P260 C261G27-E34 PolarHBondContact N-OE1 3.27Å; G27-E34 PolarHBondContact N-OE2 3.45Å; G27-P260 CarbonylContact O-C 3.21Å; G27-P260 VanDerWaalsContact O-CA 3.24Å; G27-P260 WeakPolarHBondContact O-CA 3.36Å; G27-C261 PolarHBondContact O-N 3.06Å
28V98.6Very high98.6Very high30 Ų3038.1 Ų38.118%0.18220%0.2CC..SBendtrans-110.7-58.9179.9177.70000110M1 G26 E34 P260 C261 M262M1-V28 HydrophobicContact CE-CG1 4.24Å; G26-V28 PolarHBondContact O-N 3.12Å; V28-E34 WeakPolarHBondContact CA-OE1 3.47Å; V28-E34 PolarHBondContact N-OE1 3.49Å; V28-P260 CarbonylContact O-C 3.48Å; V28-C261 PolarHBondContact O-N 3.47Å; V28-M262 HydrophobicContact CG1-CG 3.91Å; V28-M262 VanDerWaalsContact O-CB 3.32Å; V28-M262 WeakPolarHBondContact O-CB 3.49Å; V28-M262 PolarHBondContact O-N 3.09Å
29L98.6Very high98.6Very high24 Ų2439.5 Ų39.513%0.12621%0.205CC..SBendtrans-100.4178.2179.7-57.6-177.9000110.6M1 G31 E33 E34 P260 M262M1-L29 HydrophobicContact CB-CD1 4.05Å; L29-G31 PolarHBondContact O-N 3.07Å; L29-E33 HydrophobicContact CB-CB 4.15Å; L29-E33 HydrophobicContact CD1-CB 4.36Å; L29-E34 HydrophobicContact CB-CG 3.95Å; L29-E34 PolarHBondContact N-OE1 3.19Å; L29-P260 WeakPolarHBondContact O-CB 3.5Å; L29-P260 VanDerWaalsContact O-CG 3.27Å; L29-P260 WeakPolarHBondContact O-CG 3.34Å; L29-M262 HydrophobicContact CD2-CB 4.11Å; L29-M262 HydrophobicContact CD2-CG 4.36Å
30A98.4Very high98.6Very high32 Ų3239.2 Ų39.226%0.26421%0.208SC..  trans-56.3141.1169.100000110E32 E33 E34A30-E32 PolarHBondContact O-N 3.41Å; A30-E33 HydrophobicContact CB-CG 4.31Å; A30-E33 WeakPolarHBondContact O-CA 2.96Å; A30-E33 WeakPolarHBondContact O-CB 3.4Å; A30-E33 PolarHBondContact O-N 3.29Å; A30-E34 PolarHBondContact O-N 2.82Å; A30-E34 VanDerWaalsContact O-N 3.09Å
31G98.2Very high98.6Very high5 Ų534.4 Ų34.45%0.05218%0.182CC..Hα-helixtrans-58.6-33.6-175.200000113.1L29 E34 A35L29-G31 PolarHBondContact O-N 3.07Å; G31-E34 PolarHBondContact O-N 3.12Å; G31-A35 WeakPolarHBondContact O-CB 3.42Å; G31-A35 PolarHBondContact O-N 3.29Å
32E97.8Very high98.6Very high91 Ų9133.1 Ų33.143%0.42518%0.178SC..Hα-helixtrans-62.3-37.9171.4-70.887.3168.700113.4A30 A35 E36 K65A30-E32 PolarHBondContact O-N 3.41Å; E32-A35 WeakPolarHBondContact O-CB 3.31Å; E32-A35 PolarHBondContact O-N 3Å; E32-E36 PolarHBondContact O-N 3.11Å; E32-K65 IonicContact OE1-NZ 2.76Å; E32-K65 PolarHBondContact OE1-NZ 2.56Å
33E98.2Very high98.5Very high109 Ų10940.4 Ų40.451%0.50921%0.21SC..Hα-helixtrans-72.4-37.3177.5-68.3179.9-171.200111.8L29 A30 A35 E36L29-E33 HydrophobicContact CB-CB 4.15Å; L29-E33 HydrophobicContact CD1-CB 4.36Å; A30-E33 HydrophobicContact CB-CG 4.31Å; A30-E33 WeakPolarHBondContact O-CA 2.96Å; A30-E33 WeakPolarHBondContact O-CB 3.4Å; A30-E33 PolarHBondContact O-N 3.29Å; E33-A35 VanDerWaalsContact C-N 3.31Å; E33-E36 PolarHBondContact O-N 2.71Å
34E98.6Very high98.5Very high3 Ų342.3 Ų42.31%0.01422%0.215CC..Hα-helixtrans-66.6-36.5175.2-60.6-174.1157.100111.2G26 G27 V28 L29 A30 G31 E36 S37 I38 L52G26-E34 VanDerWaalsContact CA-CD 3.46Å; G26-E34 VanDerWaalsContact CA-OE1 3.29Å; G26-E34 WeakPolarHBondContact CA-OE1 3.49Å; G26-E34 VanDerWaalsContact CA-OE2 3.23Å; G26-E34 WeakPolarHBondContact CA-OE2 3.23Å; G27-E34 PolarHBondContact N-OE1 3.27Å; G27-E34 PolarHBondContact N-OE2 3.45Å; V28-E34 WeakPolarHBondContact CA-OE1 3.47Å; V28-E34 PolarHBondContact N-OE1 3.49Å; L29-E34 HydrophobicContact CB-CG 3.95Å; L29-E34 PolarHBondContact N-OE1 3.19Å; A30-E34 PolarHBondContact O-N 2.82Å; A30-E34 VanDerWaalsContact O-N 3.09Å; G31-E34 PolarHBondContact O-N 3.12Å; E34-E36 VanDerWaalsContact C-N 3.3Å; E34-E36 PolarHBondContact O-N 2.76Å; E34-S37 WeakPolarHBondContact O-CB 3.28Å; E34-S37 PolarHBondContact O-N 3.09Å; E34-S37 VanDerWaalsContact O-N 3.09Å; E34-I38 PolarHBondContact O-N 2.87Å; E34-L52 HydrophobicContact CB-CD1 4.26Å; E34-L52 HydrophobicContact CB-CD2 3.86Å
35A98.7Very high98.5Very high1 Ų142.3 Ų42.31%0.00821%0.214CC..Hα-helixtrans-59.2-39.9175.600000112.3G31 E32 E33 S37 I38 V39 I66 Y69 L70G31-A35 WeakPolarHBondContact O-CB 3.42Å; G31-A35 PolarHBondContact O-N 3.29Å; E32-A35 WeakPolarHBondContact O-CB 3.31Å; E32-A35 PolarHBondContact O-N 3Å; E33-A35 VanDerWaalsContact C-N 3.31Å; A35-S37 VanDerWaalsContact C-N 3.25Å; A35-S37 PolarHBondContact O-N 3.05Å; A35-I38 WeakPolarHBondContact O-CB 3.07Å; A35-I38 PolarHBondContact O-N 3.23Å; A35-I38 VanDerWaalsContact O-N 3.09Å; A35-V39 WeakPolarHBondContact O-CG2 3.28Å; A35-V39 PolarHBondContact O-N 3.43Å; A35-I66 HydrophobicContact CB-CG2 4.27Å; A35-Y69 HydrophobicContact CB-CD1 4Å; A35-Y69 HydrophobicContact CB-CE1 4.03Å; A35-L70 HydrophobicContact CB-CD1 3.84Å; A35-L70 HydrophobicContact CB-CD2 3.94Å; A35-L70 HydrophobicContact CB-CG 4.03Å
36E98.6Very high98.5Very high84 Ų8442.9 Ų42.939%0.39323%0.227SC..Hα-helixtrans-62.8-32.8176.1-64.7-53.2119.700112.5P3 E32 E33 E34 V39 A40 Y69P3-E36 HydrophobicContact CG-CB 4.07Å; E32-E36 PolarHBondContact O-N 3.11Å; E33-E36 PolarHBondContact O-N 2.71Å; E34-E36 VanDerWaalsContact C-N 3.3Å; E34-E36 PolarHBondContact O-N 2.76Å; E36-V39 PolarHBondContact O-N 3.08Å; E36-A40 WeakPolarHBondContact O-CB 3.41Å; E36-A40 PolarHBondContact O-N 3.49Å; E36-Y69 WeakPolarHBondContact OE1-CE1 3.38Å; E36-Y69 PolarHBondContact OE1-OH 3.04Å
37S98.7Very high98.5Very high2 Ų251.3 Ų51.31%0.01427%0.265CS..Hα-helixtrans-67.1-37.1174.3-58.10000111.9E34 A35 A40 L41E34-S37 WeakPolarHBondContact O-CB 3.28Å; E34-S37 PolarHBondContact O-N 3.09Å; E34-S37 VanDerWaalsContact O-N 3.09Å; A35-S37 VanDerWaalsContact C-N 3.25Å; A35-S37 PolarHBondContact O-N 3.05Å; S37-A40 PolarHBondContact O-N 3.31Å; S37-L41 WeakPolarHBondContact O-CB 3.4Å; S37-L41 WeakPolarHBondContact O-CG 3.42Å; S37-L41 PolarHBondContact O-N 3.24Å
38I98.8Very high98.6Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-67.9-43.7174.8-60.9-62.8000111.4L24 E34 A35 A40 L41 A42 I50 L52 L70 L74L24-I38 HydrophobicContact CB-CD1 3.84Å; L24-I38 HydrophobicContact CD2-CD1 4.02Å; E34-I38 PolarHBondContact O-N 2.87Å; A35-I38 WeakPolarHBondContact O-CB 3.07Å; A35-I38 PolarHBondContact O-N 3.23Å; A35-I38 VanDerWaalsContact O-N 3.09Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.04Å; I38-L41 HydrophobicContact CD1-CD1 4.49Å; I38-L41 PolarHBondContact O-N 3.43Å; I38-A42 WeakPolarHBondContact O-CB 3.41Å; I38-A42 PolarHBondContact O-N 3.25Å; I38-I50 HydrophobicContact CD1-CG2 3.78Å; I38-I50 HydrophobicContact CG2-CG2 4.14Å; I38-L52 HydrophobicContact CD1-CB 3.79Å; I38-L52 HydrophobicContact CD1-CD1 4.39Å; I38-L52 HydrophobicContact CD1-CG 4.48Å; I38-L52 HydrophobicContact CG1-CB 3.87Å; I38-L52 HydrophobicContact CG1-CD2 3.93Å; I38-L52 HydrophobicContact CG1-CG 4.33Å; I38-L70 HydrophobicContact CB-CD1 4.36Å; I38-L70 HydrophobicContact CB-CD2 4.08Å; I38-L70 HydrophobicContact CG1-CD1 4.44Å; I38-L70 HydrophobicContact CG2-CD1 4.4Å; I38-L70 HydrophobicContact CG2-CD2 4.03Å; I38-L74 HydrophobicContact CG2-CD2 3.83Å; I38-L74 HydrophobicContact CG2-CG 4.19Å
39V98.8Very high98.6Very high48 Ų4854.1 Ų54.129%0.29127%0.272SS..Hα-helixtrans-60.3-43.1176.1173.90000110.4A35 E36 A42 K43 Y69 L70A35-V39 WeakPolarHBondContact O-CG2 3.28Å; A35-V39 PolarHBondContact O-N 3.43Å; E36-V39 PolarHBondContact O-N 3.08Å; V39-A42 PolarHBondContact O-N 3.16Å; V39-K43 WeakPolarHBondContact O-CB 3.34Å; V39-K43 PolarHBondContact O-N 3.42Å; V39-Y69 HydrophobicContact CG2-CE1 4.05Å; V39-L70 HydrophobicContact CG2-CD2 3.73Å
40A98.8Very high98.6Very high26 Ų2653 Ų5322%0.21527%0.266CS..Hα-helixtrans-64.2-44176.800000112.5P3 V7 E36 S37 I38 K43 R44P3-A40 HydrophobicContact CB-CB 4.01Å; V7-A40 HydrophobicContact CG2-CB 3.72Å; E36-A40 WeakPolarHBondContact O-CB 3.41Å; E36-A40 PolarHBondContact O-N 3.49Å; S37-A40 PolarHBondContact O-N 3.31Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.04Å; A40-K43 PolarHBondContact O-N 2.68Å; A40-R44 PolarHBondContact O-N 3.44Å
41L98.7Very high98.6Very high4 Ų451.5 Ų51.52%0.02125%0.254CS..Hα-helixtrans-60.8-49.3174.9-79.4170.7000112V6 V7 A10 S37 I38 K43 R44 F45 I50V6-L41 HydrophobicContact CG1-CD1 3.69Å; V6-L41 HydrophobicContact CG1-CD2 4.22Å; V6-L41 HydrophobicContact CG1-CG 4.01Å; V7-L41 HydrophobicContact CG2-CD2 4.28Å; V7-L41 HydrophobicContact CG2-CG 4.42Å; A10-L41 HydrophobicContact CB-CD2 3.39Å; S37-L41 WeakPolarHBondContact O-CB 3.4Å; S37-L41 WeakPolarHBondContact O-CG 3.42Å; S37-L41 PolarHBondContact O-N 3.24Å; I38-L41 HydrophobicContact CD1-CD1 4.49Å; I38-L41 PolarHBondContact O-N 3.43Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 3.23Å; L41-R44 PolarHBondContact O-N 3.3Å; L41-R44 VanDerWaalsContact O-N 3.09Å; L41-F45 PolarHBondContact O-N 3.31Å; L41-I50 HydrophobicContact CB-CD1 4Å
42A98.6Very high98.6Very high19 Ų1951.4 Ų51.416%0.15725%0.252CS..Hα-helixtrans-63.8-35.2179.700000111.9I38 V39 F45 P46 I50I38-A42 WeakPolarHBondContact O-CB 3.41Å; I38-A42 PolarHBondContact O-N 3.25Å; V39-A42 PolarHBondContact O-N 3.16Å; A42-F45 CarbonylContact O-C 3.53Å; A42-P46 WeakPolarHBondContact O-CA 2.95Å; A42-I50 HydrophobicContact CB-CD1 3.88Å
43K98.7Very high98.7Very high180 Ų18047.2 Ų47.278%0.78323%0.233SC*.Hα-helixtrans-64.1-40.6172.6-176.2-179.5179.3-177.40111.8V39 A40 L41V39-K43 WeakPolarHBondContact O-CB 3.34Å; V39-K43 PolarHBondContact O-N 3.42Å; A40-K43 PolarHBondContact O-N 2.68Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 3.23Å
44R98.8Very high98.7Very high107 Ų10742.1 Ų42.140%0.40421%0.209SC..Hα-helixtrans-75.9-33.3-178.7-179.358.1-178.378.24.3113.1V7 E11 A40 L41V7-R44 HydrophobicContact CG1-CB 4.02Å; V7-R44 HydrophobicContact CG1-CG 3.84Å; E11-R44 HydrophobicContact CG-CG 4.44Å; E11-R44 IonicContact OE1-CZ 2.73Å; E11-R44 IonicContact OE1-NE 2.94Å; E11-R44 PolarHBondContact OE1-NE 3.29Å; E11-R44 IonicContact OE1-NH2 2.66Å; E11-R44 PolarHBondContact OE1-NH2 3Å; E11-R44 VanDerWaalsContact OE1-NH2 3.14Å; A40-R44 PolarHBondContact O-N 3.44Å; L41-R44 PolarHBondContact O-N 3.3Å; L41-R44 VanDerWaalsContact O-N 3.09Å
45F98.8Very high98.7Very high21 Ų2145 Ų459%0.09223%0.225CC..SBendtrans-126.173-179.1-59.4-82.7000110.2A10 E11 Y14 F22 L41 A42 Q47 A48A10-F45 HydrophobicContact CB-CE2 3.71Å; A10-F45 HydrophobicContact CB-CZ 4.33Å; E11-F45 HydrophobicContact CG-CE2 4.44Å; E11-F45 HydrophobicContact CG-CZ 4.07Å; Y14-F45 HydrophobicContact CD1-CE1 4.35Å; Y14-F45 HydrophobicContact CD2-CE1 4.16Å; Y14-F45 AromaticContact CG-CE1 3.89Å; Y14-F45 HydrophobicContact CG-CE1 3.89Å; F22-F45 HydrophobicContact CE2-CB 4.26Å; F22-F45 AromaticContact CE2-CD1 3.99Å; F22-F45 HydrophobicContact CE2-CD1 3.99Å; F22-F45 HydrophobicContact CE2-CD2 4.01Å; F22-F45 HydrophobicContact CE2-CE1 4.31Å; F22-F45 HydrophobicContact CE2-CE2 4.33Å; F22-F45 AromaticContact CE2-CG 3.83Å; F22-F45 HydrophobicContact CE2-CG 3.83Å; F22-F45 HydrophobicContact CE2-CZ 4.47Å; F22-F45 HydrophobicContact CZ-CD1 4.38Å; F22-F45 HydrophobicContact CZ-CD2 4.47Å; F22-F45 HydrophobicContact CZ-CE1 4.24Å; F22-F45 HydrophobicContact CZ-CE2 4.35Å; F22-F45 HydrophobicContact CZ-CG 4.49Å; F22-F45 HydrophobicContact CZ-CZ 4.23Å; L41-F45 PolarHBondContact O-N 3.31Å; A42-F45 CarbonylContact O-C 3.53Å; F45-Q47 PolarHBondContact O-N 3.41Å; F45-A48 HydrophobicContact CB-CB 3.75Å; F45-A48 VanDerWaalsContact O-CB 3.31Å; F45-A48 WeakPolarHBondContact O-CB 3.49Å; F45-A48 PolarHBondContact O-N 3.12Å
46P98.5Very high98.7Very high97 Ų9745.3 Ų45.363%0.6323%0.228SC*.THydrogen-bonded Turntrans-68.3-10.2-169.327.3-36.8000115.3A42A42-P46 WeakPolarHBondContact O-CA 2.95Å
47Q98.4Very high98.7Very high180 Ų18041.7 Ų41.784%0.84121%0.212SC*.THydrogen-bonded Turntrans-103.4-3.9176-59-56.8-48.200112.7F45F45-Q47 PolarHBondContact O-N 3.41Å
48A98.7Very high98.7Very high20 Ų2042.2 Ų42.217%0.16521%0.214CC..  trans-74.3140-177.200000111.5N20 F22 F45 I50N20-A48 WeakPolarHBondContact O-CA 3.43Å; N20-A48 WeakPolarHBondContact O-CB 3.43Å; F22-A48 HydrophobicContact CD2-CB 3.99Å; F22-A48 HydrophobicContact CE2-CB 4.34Å; F45-A48 HydrophobicContact CB-CB 3.75Å; F45-A48 VanDerWaalsContact O-CB 3.31Å; F45-A48 WeakPolarHBondContact O-CB 3.49Å; F45-A48 PolarHBondContact O-N 3.12Å; A48-I50 HydrophobicContact CB-CD1 4.11Å; A48-I50 HydrophobicContact CB-CG1 3.93Å
49R98.9Very high98.7Very high83 Ų8343.9 Ų43.931%0.31323%0.225SC..  trans-79.7123.2160.5-61.7161.947.270.70.8107.7D21 F22 A75 T181D21-R49 WeakPolarHBondContact CA-O 3.23Å; D21-R49 HydrophobicContact CB-CB 4.26Å; D21-R49 WeakPolarHBondContact CB-O 3.29Å; D21-R49 VanDerWaalsContact OD1-CB 3.25Å; D21-R49 WeakPolarHBondContact OD1-CB 3.45Å; D21-R49 PolarHBondContact OD1-N 3.47Å; D21-R49 IonicContact OD2-NE 3.14Å; F22-R49 PolarHBondContact N-O 3.39Å; R49-A75 HydrophobicContact CB-CB 3.62Å; R49-A75 HydrophobicContact CG-CB 4.05Å; R49-T181 PolarHBondContact NH2-OG1 2.94Å
50I98.9Very high98.7Very high1 Ų142.3 Ų42.31%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-121.3141.1-177.2-61.7161.7000110.3F22 I38 L41 A42 A48 L74 A75F22-I50 HydrophobicContact CB-CG1 4.4Å; F22-I50 VanDerWaalsContact O-CA 3.24Å; F22-I50 WeakPolarHBondContact O-CA 3.3Å; I38-I50 HydrophobicContact CD1-CG2 3.78Å; I38-I50 HydrophobicContact CG2-CG2 4.14Å; L41-I50 HydrophobicContact CB-CD1 4Å; A42-I50 HydrophobicContact CB-CD1 3.88Å; A48-I50 HydrophobicContact CB-CD1 4.11Å; A48-I50 HydrophobicContact CB-CG1 3.93Å; I50-L74 WeakPolarHBondContact O-CA 3.3Å; I50-A75 PolarHBondContact O-N 3.47Å
51T98.9Very high98.7Very high0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-127.2155.7165.8-160.50000112.5F22 K23 L24 Y76 E78F22-T51 PolarHBondContact O-N 3.27Å; F22-T51 VanDerWaalsContact O-N 3.16Å; K23-T51 HydrophobicContact CB-CG2 3.81Å; K23-T51 HydrophobicContact CD-CG2 3.92Å; K23-T51 HydrophobicContact CG-CG2 3.63Å; L24-T51 PolarHBondContact N-O 3.25Å; T51-Y76 WeakPolarHBondContact CB-O 3.31Å; T51-Y76 HydrophobicContact CG2-CD2 4.34Å; T51-Y76 HydrophobicContact CG2-CE2 3.52Å; T51-Y76 WeakPolarHBondContact OG1-CD2 3.39Å; T51-Y76 WeakPolarHBondContact OG1-CE2 3.2Å; T51-Y76 PolarHBondContact OG1-O 3.11Å; T51-E78 HydrophobicContact CG2-CB 4.5Å; T51-E78 PolarHBondContact OG1-N 2.89Å
52L98.9Very high98.7Very high3 Ų351.3 Ų51.32%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-118.9127.4167.8178.554.9000107.4L24 E34 I38 W58 L70 L74L24-L52 HydrophobicContact CB-CD1 4.15Å; L24-L52 HydrophobicContact CD2-CD1 4.13Å; L24-L52 HydrophobicContact CG-CD1 4.07Å; E34-L52 HydrophobicContact CB-CD1 4.26Å; E34-L52 HydrophobicContact CB-CD2 3.86Å; I38-L52 HydrophobicContact CD1-CB 3.79Å; I38-L52 HydrophobicContact CD1-CD1 4.39Å; I38-L52 HydrophobicContact CD1-CG 4.48Å; I38-L52 HydrophobicContact CG1-CB 3.87Å; I38-L52 HydrophobicContact CG1-CD2 3.93Å; I38-L52 HydrophobicContact CG1-CG 4.33Å; L52-W58 HydrophobicContact CD2-CH2 3.59Å; L52-W58 HydrophobicContact CD2-CZ2 3.88Å; L52-W58 HydrophobicContact CG-CH2 3.97Å; L52-W58 HydrophobicContact CG-CZ2 4.34Å; L52-L70 HydrophobicContact CD2-CD1 4.36Å; L52-L74 HydrophobicContact CB-CD2 4.08Å
53D98.9Very high98.8Very high4 Ų450.4 Ų50.42%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-119.1101.8-177.4168.26.1000109.4K23 L24 K25 G26 N55 E78K23-D53 VanDerWaalsContact CE-OD2 3.29Å; K23-D53 WeakPolarHBondContact CE-OD2 3.49Å; K23-D53 IonicContact NZ-OD2 2.67Å; K23-D53 PolarHBondContact NZ-OD2 2.98Å; L24-D53 PolarHBondContact O-N 2.67Å; L24-D53 VanDerWaalsContact O-N 3.12Å; K25-D53 WeakPolarHBondContact CE-O 3.48Å; K25-D53 PolarHBondContact NZ-O 3.32Å; K25-D53 IonicContact NZ-OD1 3.72Å; K25-D53 PolarHBondContact NZ-OD1 3.43Å; K25-D53 IonicContact NZ-OD2 3.41Å; K25-D53 PolarHBondContact NZ-OD2 2.86Å; G26-D53 CarbonylContact C-O 3.59Å; G26-D53 WeakPolarHBondContact CA-O 3.14Å; G26-D53 PolarHBondContact N-O 2.98Å; D53-N55 PolarHBondContact OD1-N 3.28Å; D53-N55 PolarHBondContact OD1-ND2 3.12Å; D53-N55 VanDerWaalsContact OD1-ND2 3.11Å; D53-E78 HydrophobicContact CB-CB 3.9Å; D53-E78 HydrophobicContact CB-CG 3.98Å
54P98.8Very high98.8Very high2 Ų243.3 Ų43.31%0.01322%0.22CC..  trans-93.310.8175.738.9-36.7000113.8G56 A57 W58 E78 D79P54-G56 VanDerWaalsContact C-N 3.29Å; P54-G56 PolarHBondContact O-N 2.9Å; P54-A57 HydrophobicContact CB-CB 4.47Å; P54-A57 VanDerWaalsContact O-CB 3.25Å; P54-A57 WeakPolarHBondContact O-CB 3.45Å; P54-A57 PolarHBondContact O-N 3.34Å; P54-W58 HydrophobicContact CB-CD2 4.08Å; P54-W58 HydrophobicContact CB-CH2 4.19Å; P54-W58 HydrophobicContact CB-CZ2 3.66Å; P54-W58 HydrophobicContact CG-CD2 3.76Å; P54-W58 HydrophobicContact CG-CE3 3.78Å; P54-W58 HydrophobicContact CG-CG 4.49Å; P54-W58 HydrophobicContact CG-CH2 3.73Å; P54-W58 HydrophobicContact CG-CZ2 3.71Å; P54-W58 HydrophobicContact CG-CZ3 3.78Å; P54-E78 VanDerWaalsContact CD-O 3.27Å; P54-E78 WeakPolarHBondContact CD-O 3.44Å; P54-D79 WeakPolarHBondContact CG-O 3.2Å
55N98.8Very high98.8Very high63 Ų6344.3 Ų44.334%0.33723%0.227SC..THydrogen-bonded Turntrans48.343.5-176-64.8130.3000115K25 D53 A57 M108K25-N55 WeakPolarHBondContact CE-OD1 3.4Å; K25-N55 PolarHBondContact NZ-ND2 3.17Å; K25-N55 PolarHBondContact NZ-OD1 3.1Å; D53-N55 PolarHBondContact OD1-N 3.28Å; D53-N55 PolarHBondContact OD1-ND2 3.12Å; D53-N55 VanDerWaalsContact OD1-ND2 3.11Å; N55-A57 VanDerWaalsContact C-N 3.28Å; N55-A57 PolarHBondContact O-N 3.46Å; N55-M108 VanDerWaalsContact C-SD 3.52Å; N55-M108 VanDerWaalsContact CA-SD 3.58Å; N55-M108 HydrophobicContact CB-CE 4.43Å; N55-M108 HydrophobicContact CB-SD 3.75Å
56G98.7Very high98.8Very high7 Ų743.5 Ų43.57%0.07222%0.224CC..THydrogen-bonded Turntrans76.212.5173.200000115P54 W58 D79 K258P54-G56 VanDerWaalsContact C-N 3.29Å; P54-G56 PolarHBondContact O-N 2.9Å; G56-W58 PolarHBondContact O-N 2.9Å; G56-D79 VanDerWaalsContact CA-O 3.26Å; G56-D79 WeakPolarHBondContact CA-O 3.35Å; G56-D79 PolarHBondContact N-O 3.11Å; G56-K258 PolarHBondContact O-NZ 2.87Å
57A98.7Very high98.8Very high8 Ų839 Ų397%0.06620%0.195CC..BIsolated β-bridgetrans-66-34.9-174.400000113.8P54 N55 N257 K258P54-A57 HydrophobicContact CB-CB 4.47Å; P54-A57 VanDerWaalsContact O-CB 3.25Å; P54-A57 WeakPolarHBondContact O-CB 3.45Å; P54-A57 PolarHBondContact O-N 3.34Å; N55-A57 VanDerWaalsContact C-N 3.28Å; N55-A57 PolarHBondContact O-N 3.46Å; A57-N257 WeakPolarHBondContact CA-O 3.44Å; A57-K258 CarbonylContact O-C 3.3Å; A57-K258 VanDerWaalsContact O-C 3.3Å; A57-K258 VanDerWaalsContact O-CA 3.31Å; A57-K258 WeakPolarHBondContact O-CA 3.46Å; A57-K258 VanDerWaalsContact O-O 3.13Å
58W98.8Very high98.8Very high14 Ų1436.4 Ų36.45%0.05318%0.181CC..BIsolated β-bridgetrans-75.2148.5-178.3-48.1-35.3000111.2L52 P54 G56 E62 A63 I66 P80 C81L52-W58 HydrophobicContact CD2-CH2 3.59Å; L52-W58 HydrophobicContact CD2-CZ2 3.88Å; L52-W58 HydrophobicContact CG-CH2 3.97Å; L52-W58 HydrophobicContact CG-CZ2 4.34Å; P54-W58 HydrophobicContact CB-CD2 4.08Å; P54-W58 HydrophobicContact CB-CH2 4.19Å; P54-W58 HydrophobicContact CB-CZ2 3.66Å; P54-W58 HydrophobicContact CG-CD2 3.76Å; P54-W58 HydrophobicContact CG-CE3 3.78Å; P54-W58 HydrophobicContact CG-CG 4.49Å; P54-W58 HydrophobicContact CG-CH2 3.73Å; P54-W58 HydrophobicContact CG-CZ2 3.71Å; P54-W58 HydrophobicContact CG-CZ3 3.78Å; G56-W58 PolarHBondContact O-N 2.9Å; W58-E62 HydrophobicContact CB-CB 4.04Å; W58-A63 HydrophobicContact CB-CB 4.2Å; W58-A63 HydrophobicContact CE3-CB 4.05Å; W58-I66 HydrophobicContact CD2-CD1 3.9Å; W58-I66 HydrophobicContact CE3-CD1 4.15Å; W58-I66 HydrophobicContact CG-CD1 4.36Å; W58-I66 HydrophobicContact CH2-CD1 4.41Å; W58-I66 HydrophobicContact CH2-CG2 3.89Å; W58-I66 HydrophobicContact CZ2-CD1 4.17Å; W58-I66 HydrophobicContact CZ3-CB 4.4Å; W58-I66 HydrophobicContact CZ3-CD1 4.39Å; W58-I66 HydrophobicContact CZ3-CG2 3.98Å; W58-P80 WeakPolarHBondContact CB-O 3.48Å; W58-P80 HydrophobicContact CE3-CB 4.02Å; W58-P80 HydrophobicContact CZ3-CB 4Å; W58-C81 WeakPolarHBondContact O-CA 3.14Å; W58-C81 VanDerWaalsContact O-CB 3.31Å; W58-C81 WeakPolarHBondContact O-CB 3.43Å
59S98.7Very high98.8Very high34 Ų3441.6 Ų41.624%0.23820%0.197CC..  trans-63.8160.7162.563.10000110.7N61 E62 A63 E84S59-N61 PolarHBondContact O-N 2.8Å; S59-E62 WeakPolarHBondContact CB-OE2 3.37Å; S59-E62 PolarHBondContact N-OE2 2.93Å; S59-E62 PolarHBondContact O-N 2.93Å; S59-E62 WeakPolarHBondContact OG-CB 3.47Å; S59-E62 VanDerWaalsContact OG-CG 3.24Å; S59-E62 WeakPolarHBondContact OG-CG 3.39Å; S59-E62 PolarHBondContact OG-N 3.07Å; S59-E62 PolarHBondContact OG-OE2 3.05Å; S59-A63 VanDerWaalsContact O-CB 3.3Å; S59-A63 WeakPolarHBondContact O-CB 3.34Å; S59-A63 PolarHBondContact O-N 2.85Å; S59-E84 VanDerWaalsContact CA-OE2 3.31Å; S59-E84 WeakPolarHBondContact CA-OE2 3.42Å
60L98.9Very high98.8Very high15 Ų1537.7 Ų37.78%0.07918%0.182CC..Hα-helixtrans-55.9-41.2176.6177.958.5000112.1A63 I64 E84 V92 E95 F96L60-A63 PolarHBondContact O-N 3.04Å; L60-I64 HydrophobicContact CD1-CD1 3.73Å; L60-I64 HydrophobicContact CD1-CG1 4Å; L60-I64 HydrophobicContact CD2-CD1 4.5Å; L60-I64 HydrophobicContact CG-CD1 3.78Å; L60-I64 HydrophobicContact CG-CG1 4.44Å; L60-I64 WeakPolarHBondContact O-CB 3.42Å; L60-I64 VanDerWaalsContact O-CG1 3.24Å; L60-I64 WeakPolarHBondContact O-CG1 3.4Å; L60-I64 PolarHBondContact O-N 3.34Å; L60-E84 WeakPolarHBondContact CB-OE1 3.23Å; L60-E84 PolarHBondContact N-OE1 3.16Å; L60-E84 PolarHBondContact N-OE2 3.11Å; L60-V92 HydrophobicContact CB-CG1 3.91Å; L60-V92 HydrophobicContact CD1-CG1 3.95Å; L60-V92 HydrophobicContact CD2-CG1 4.27Å; L60-V92 HydrophobicContact CG-CG1 4.25Å; L60-E95 HydrophobicContact CD1-CB 4.42Å; L60-E95 HydrophobicContact CD2-CB 4.01Å; L60-E95 VanDerWaalsContact CD2-OE2 3.23Å; L60-E95 WeakPolarHBondContact CD2-OE2 3.29Å; L60-F96 HydrophobicContact CD1-CB 3.72Å
61N98.8Very high98.7Very high126 Ų12643.3 Ų43.367%0.67421%0.207SC*.Hα-helixtrans-66.3-44.4-178.8-73.2-36.3000112.4S59 I64 K65S59-N61 PolarHBondContact O-N 2.8Å; N61-I64 PolarHBondContact O-N 2.8Å; N61-K65 WeakPolarHBondContact O-CB 3.42Å; N61-K65 PolarHBondContact O-N 3.02Å
62E98.8Very high98.7Very high94 Ų9447.2 Ų47.244%0.43925%0.247SC..Hα-helixtrans-63.2-46.4174.7-72.4162.9160.500110.7W58 S59 I64 K65 I66W58-E62 HydrophobicContact CB-CB 4.04Å; S59-E62 WeakPolarHBondContact CB-OE2 3.37Å; S59-E62 PolarHBondContact N-OE2 2.93Å; S59-E62 PolarHBondContact O-N 2.93Å; S59-E62 WeakPolarHBondContact OG-CB 3.47Å; S59-E62 VanDerWaalsContact OG-CG 3.24Å; S59-E62 WeakPolarHBondContact OG-CG 3.39Å; S59-E62 PolarHBondContact OG-N 3.07Å; S59-E62 PolarHBondContact OG-OE2 3.05Å; E62-I64 PolarHBondContact O-N 2.96Å; E62-K65 WeakPolarHBondContact O-CB 3.4Å; E62-K65 PolarHBondContact O-N 3.35Å; E62-I66 WeakPolarHBondContact O-CG1 3.44Å; E62-I66 PolarHBondContact O-N 3.13Å
63A98.9Very high98.6Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-57.3-47.1176.700000111.5W58 S59 L60 K65 I66 G67 P80 C81 F96W58-A63 HydrophobicContact CB-CB 4.2Å; W58-A63 HydrophobicContact CE3-CB 4.05Å; S59-A63 VanDerWaalsContact O-CB 3.3Å; S59-A63 WeakPolarHBondContact O-CB 3.34Å; S59-A63 PolarHBondContact O-N 2.85Å; L60-A63 PolarHBondContact O-N 3.04Å; A63-K65 VanDerWaalsContact C-N 3.34Å; A63-K65 PolarHBondContact O-N 3.03Å; A63-I66 PolarHBondContact O-N 3.42Å; A63-G67 WeakPolarHBondContact O-CA 3.46Å; A63-G67 PolarHBondContact O-N 3.03Å; A63-P80 HydrophobicContact CB-CB 4.15Å; A63-C81 HydrophobicContact CB-CB 3.81Å; A63-F96 HydrophobicContact CB-CD2 3.75Å; A63-F96 HydrophobicContact CB-CE2 3.94Å; A63-F96 WeakPolarHBondContact O-CE2 3.42Å
64I98.9Very high98.6Very high30 Ų3049 Ų4915%0.15426%0.259CS..Hα-helixtrans-61.6-42.4177.8-71167.1000111.2L60 N61 E62 K68 F96 A99 T100L60-I64 HydrophobicContact CD1-CD1 3.73Å; L60-I64 HydrophobicContact CD1-CG1 4Å; L60-I64 HydrophobicContact CD2-CD1 4.5Å; L60-I64 HydrophobicContact CG-CD1 3.78Å; L60-I64 HydrophobicContact CG-CG1 4.44Å; L60-I64 WeakPolarHBondContact O-CB 3.42Å; L60-I64 VanDerWaalsContact O-CG1 3.24Å; L60-I64 WeakPolarHBondContact O-CG1 3.4Å; L60-I64 PolarHBondContact O-N 3.34Å; N61-I64 PolarHBondContact O-N 2.8Å; E62-I64 PolarHBondContact O-N 2.96Å; I64-K68 HydrophobicContact CG2-CD 4.08Å; I64-K68 HydrophobicContact CG2-CG 4.49Å; I64-K68 WeakPolarHBondContact O-CB 3.47Å; I64-K68 WeakPolarHBondContact O-CG 3.44Å; I64-K68 PolarHBondContact O-N 3.37Å; I64-F96 HydrophobicContact CG1-CD2 4.23Å; I64-A99 HydrophobicContact CD1-CB 3.64Å; I64-A99 HydrophobicContact CG1-CB 3.88Å; I64-A99 HydrophobicContact CG2-CB 4.23Å; I64-T100 HydrophobicContact CB-CG2 4.45Å; I64-T100 HydrophobicContact CG1-CG2 4.36Å; I64-T100 HydrophobicContact CG2-CG2 4.4Å
65K98.8Very high98.6Very high128 Ų12850.3 Ų50.356%0.55727%0.27SS*.Hα-helixtrans-60.3-52.2177.6180-170.4172.1-160.20110.7E32 N61 E62 A63 K68 Y69E32-K65 IonicContact OE1-NZ 2.76Å; E32-K65 PolarHBondContact OE1-NZ 2.56Å; N61-K65 WeakPolarHBondContact O-CB 3.42Å; N61-K65 PolarHBondContact O-N 3.02Å; E62-K65 WeakPolarHBondContact O-CB 3.4Å; E62-K65 PolarHBondContact O-N 3.35Å; A63-K65 VanDerWaalsContact C-N 3.34Å; A63-K65 PolarHBondContact O-N 3.03Å; K65-K68 PolarHBondContact O-N 2.91Å; K65-Y69 PolarHBondContact O-N 3.48Å; K65-Y69 VanDerWaalsContact O-N 3.09Å
66I98.9Very high98.7Very high5 Ų547.9 Ų47.93%0.02626%0.256CS..Hα-helixtrans-65.1-45.5-179.9-66.6164.1000110.9A35 W58 E62 A63 K68 Y69 L70A35-I66 HydrophobicContact CB-CG2 4.27Å; W58-I66 HydrophobicContact CD2-CD1 3.9Å; W58-I66 HydrophobicContact CE3-CD1 4.15Å; W58-I66 HydrophobicContact CG-CD1 4.36Å; W58-I66 HydrophobicContact CH2-CD1 4.41Å; W58-I66 HydrophobicContact CH2-CG2 3.89Å; W58-I66 HydrophobicContact CZ2-CD1 4.17Å; W58-I66 HydrophobicContact CZ3-CB 4.4Å; W58-I66 HydrophobicContact CZ3-CD1 4.39Å; W58-I66 HydrophobicContact CZ3-CG2 3.98Å; E62-I66 WeakPolarHBondContact O-CG1 3.44Å; E62-I66 PolarHBondContact O-N 3.13Å; A63-I66 PolarHBondContact O-N 3.42Å; I66-K68 VanDerWaalsContact C-N 3.35Å; I66-K68 PolarHBondContact O-N 3.42Å; I66-Y69 WeakPolarHBondContact O-CB 3.35Å; I66-Y69 PolarHBondContact O-N 2.91Å; I66-Y69 VanDerWaalsContact O-N 3.14Å; I66-L70 HydrophobicContact CG2-CD1 3.72Å; I66-L70 HydrophobicContact CG2-CG 4.33Å; I66-L70 WeakPolarHBondContact O-CB 3.49Å; I66-L70 WeakPolarHBondContact O-CG 3.37Å; I66-L70 PolarHBondContact O-N 3.08Å
67G98.8Very high98.7Very high3 Ų347.7 Ų47.73%0.03125%0.253CS..Hα-helixtrans-62-39.1179.300000112.9A63 L70 K71 L102A63-G67 WeakPolarHBondContact O-CA 3.46Å; A63-G67 PolarHBondContact O-N 3.03Å; G67-L70 PolarHBondContact O-N 2.94Å; G67-K71 PolarHBondContact O-N 3Å; G67-K71 VanDerWaalsContact O-N 3.1Å; G67-L102 VanDerWaalsContact O-CD1 3.28Å; G67-L102 WeakPolarHBondContact O-CD1 3.24Å
68K98.7Very high98.7Very high124 Ų12447.3 Ų47.354%0.53925%0.25SS..Hα-helixtrans-66.9-40173.1-77.6179.6177177.30112.2I64 K65 I66 L70 K71 A99 T100I64-K68 HydrophobicContact CG2-CD 4.08Å; I64-K68 HydrophobicContact CG2-CG 4.49Å; I64-K68 WeakPolarHBondContact O-CB 3.47Å; I64-K68 WeakPolarHBondContact O-CG 3.44Å; I64-K68 PolarHBondContact O-N 3.37Å; K65-K68 PolarHBondContact O-N 2.91Å; I66-K68 VanDerWaalsContact C-N 3.35Å; I66-K68 PolarHBondContact O-N 3.42Å; K68-L70 VanDerWaalsContact C-N 3.35Å; K68-K71 WeakPolarHBondContact O-CB 3.3Å; K68-K71 PolarHBondContact O-N 3.45Å; K68-A99 WeakPolarHBondContact CE-O 3.35Å; K68-T100 HydrophobicContact CG-CG2 4.36Å
69Y98.9Very high98.7Very high130 Ų13046.7 Ų46.751%0.5125%0.248SC..Hα-helixtrans-61.8-43.3175.4176.3-111.6000111.7A35 E36 V39 K65 I66 K71A35-Y69 HydrophobicContact CB-CD1 4Å; A35-Y69 HydrophobicContact CB-CE1 4.03Å; E36-Y69 WeakPolarHBondContact OE1-CE1 3.38Å; E36-Y69 PolarHBondContact OE1-OH 3.04Å; V39-Y69 HydrophobicContact CG2-CE1 4.05Å; K65-Y69 PolarHBondContact O-N 3.48Å; K65-Y69 VanDerWaalsContact O-N 3.09Å; I66-Y69 WeakPolarHBondContact O-CB 3.35Å; I66-Y69 PolarHBondContact O-N 2.91Å; I66-Y69 VanDerWaalsContact O-N 3.14Å; Y69-K71 PolarHBondContact O-N 3.08Å
70L98.8Very high98.7Very high0 Ų045.1 Ų45.10%024%0.237CC..THydrogen-bonded Turntrans-88.58.3-177.3-66.7178.3000114.9A35 I38 V39 L52 I66 G67 K68 G72 S73 L74A35-L70 HydrophobicContact CB-CD1 3.84Å; A35-L70 HydrophobicContact CB-CD2 3.94Å; A35-L70 HydrophobicContact CB-CG 4.03Å; I38-L70 HydrophobicContact CB-CD1 4.36Å; I38-L70 HydrophobicContact CB-CD2 4.08Å; I38-L70 HydrophobicContact CG1-CD1 4.44Å; I38-L70 HydrophobicContact CG2-CD1 4.4Å; I38-L70 HydrophobicContact CG2-CD2 4.03Å; V39-L70 HydrophobicContact CG2-CD2 3.73Å; L52-L70 HydrophobicContact CD2-CD1 4.36Å; I66-L70 HydrophobicContact CG2-CD1 3.72Å; I66-L70 HydrophobicContact CG2-CG 4.33Å; I66-L70 WeakPolarHBondContact O-CB 3.49Å; I66-L70 WeakPolarHBondContact O-CG 3.37Å; I66-L70 PolarHBondContact O-N 3.08Å; G67-L70 PolarHBondContact O-N 2.94Å; K68-L70 VanDerWaalsContact C-N 3.35Å; L70-G72 PolarHBondContact O-N 3.24Å; L70-S73 PolarHBondContact O-N 3.32Å; L70-L74 HydrophobicContact CB-CD1 3.6Å; L70-L74 HydrophobicContact CB-CG 3.83Å; L70-L74 HydrophobicContact CD1-CD1 3.73Å; L70-L74 HydrophobicContact CD1-CG 4.18Å; L70-L74 HydrophobicContact CG-CD1 4.34Å; L70-L74 PolarHBondContact O-N 3.35Å
71K97.4Very high98.7Very high120 Ų12044.4 Ų44.452%0.52223%0.233SC..THydrogen-bonded Turntrans-56.8-30-172.5-173.3169.7-179.1160.30114.2G67 K68 Y69 T100G67-K71 PolarHBondContact O-N 3Å; G67-K71 VanDerWaalsContact O-N 3.1Å; K68-K71 WeakPolarHBondContact O-CB 3.3Å; K68-K71 PolarHBondContact O-N 3.45Å; Y69-K71 PolarHBondContact O-N 3.08Å; K71-T100 WeakPolarHBondContact CE-O 3.01Å; K71-T100 PolarHBondContact NZ-O 3.47Å
72G97.2Very high98.7Very high82 Ų8238.9 Ų38.985%0.84521%0.206SC*.THydrogen-bonded Turntrans-90-5.7176.800000115L70L70-G72 PolarHBondContact O-N 3.24Å
73S98.6Very high98.7Very high28 Ų2837.1 Ų37.120%0.19621%0.208CC..THydrogen-bonded Turntrans-114.7-31-174.7-55.50000112.8L70L70-S73 PolarHBondContact O-N 3.32Å
74L98.8Very high98.7Very high16 Ų1638.9 Ų38.98%0.08422%0.216CC..  trans-88.2132.6175.9-70.4172.9000111.1I38 I50 L52 L70 L102I38-L74 HydrophobicContact CG2-CD2 3.83Å; I38-L74 HydrophobicContact CG2-CG 4.19Å; I50-L74 WeakPolarHBondContact O-CA 3.3Å; L52-L74 HydrophobicContact CB-CD2 4.08Å; L70-L74 HydrophobicContact CB-CD1 3.6Å; L70-L74 HydrophobicContact CB-CG 3.83Å; L70-L74 HydrophobicContact CD1-CD1 3.73Å; L70-L74 HydrophobicContact CD1-CG 4.18Å; L70-L74 HydrophobicContact CG-CD1 4.34Å; L70-L74 PolarHBondContact O-N 3.35Å; L74-L102 HydrophobicContact CB-CD2 4.2Å; L74-L102 HydrophobicContact CD1-CD1 4.26Å
75A98.8Very high98.6Very high29 Ų2945.2 Ų45.224%0.2425%0.245CC..SBendtrans-76-31.7166.500000111.7R49 I50R49-A75 HydrophobicContact CB-CB 3.62Å; R49-A75 HydrophobicContact CG-CB 4.05Å; I50-A75 PolarHBondContact O-N 3.47Å
76Y98.9Very high98.6Very high12 Ų1243.1 Ų43.15%0.04726%0.26CS..  trans-161.1158.6174.558.5-86.8000109.4T51 E78 P103 A105 I127T51-Y76 WeakPolarHBondContact CB-O 3.31Å; T51-Y76 HydrophobicContact CG2-CD2 4.34Å; T51-Y76 HydrophobicContact CG2-CE2 3.52Å; T51-Y76 WeakPolarHBondContact OG1-CD2 3.39Å; T51-Y76 WeakPolarHBondContact OG1-CE2 3.2Å; T51-Y76 PolarHBondContact OG1-O 3.11Å; Y76-E78 HydrophobicContact CE2-CB 4.35Å; Y76-P103 CarbonylContact C-O 3.04Å; Y76-P103 VanDerWaalsContact CA-O 3.27Å; Y76-P103 WeakPolarHBondContact CA-O 3.46Å; Y76-P103 WeakPolarHBondContact CB-O 3.4Å; Y76-A105 HydrophobicContact CD2-CB 3.51Å; Y76-A105 HydrophobicContact CE2-CB 3.7Å; Y76-I127 HydrophobicContact CD1-CD1 3.72Å; Y76-I127 HydrophobicContact CD2-CD1 4.04Å; Y76-I127 HydrophobicContact CE1-CD1 4.24Å; Y76-I127 HydrophobicContact CE2-CD1 4.49Å; Y76-I127 HydrophobicContact CG-CD1 3.61Å
77A98.9Very high98.6Very high3 Ų347.3 Ų47.33%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-105.8119.2173.100000109.7P80 F96 L102 P103 T104 A105A77-P80 HydrophobicContact CB-CB 4.29Å; A77-P80 HydrophobicContact CB-CG 4.14Å; A77-F96 HydrophobicContact CB-CE1 3.81Å; A77-F96 HydrophobicContact CB-CZ 3.71Å; A77-L102 HydrophobicContact CB-CD1 4.47Å; A77-P103 PolarHBondContact N-O 3.08Å; A77-T104 VanDerWaalsContact O-CA 3.31Å; A77-T104 WeakPolarHBondContact O-CA 3.4Å; A77-A105 PolarHBondContact O-N 3.09Å
78E98.9Very high98.6Very high0 Ų048.7 Ų48.70%029%0.287CS..EExtended strand (participates in β ladder)trans-92.8125.8178.1-177.8177.3159.900110.2K23 T51 D53 P54 Y76 P80 A105 N107 L129K23-E78 VanDerWaalsContact CE-OE2 3.26Å; K23-E78 WeakPolarHBondContact CE-OE2 3.42Å; K23-E78 IonicContact NZ-OE1 3.94Å; K23-E78 PolarHBondContact NZ-OE1 3.39Å; K23-E78 IonicContact NZ-OE2 3.81Å; K23-E78 PolarHBondContact NZ-OE2 3.12Å; T51-E78 HydrophobicContact CG2-CB 4.5Å; T51-E78 PolarHBondContact OG1-N 2.89Å; D53-E78 HydrophobicContact CB-CB 3.9Å; D53-E78 HydrophobicContact CB-CG 3.98Å; P54-E78 VanDerWaalsContact CD-O 3.27Å; P54-E78 WeakPolarHBondContact CD-O 3.44Å; Y76-E78 HydrophobicContact CE2-CB 4.35Å; E78-P80 VanDerWaalsContact C-CD 3.44Å; E78-P80 VanDerWaalsContact C-N 3.31Å; E78-P80 VanDerWaalsContact O-N 3.08Å; E78-A105 WeakPolarHBondContact CA-O 3.29Å; E78-A105 HydrophobicContact CB-CB 3.97Å; E78-A105 HydrophobicContact CG-CB 4.05Å; E78-N107 PolarHBondContact OE1-OD1 3.16Å; E78-N107 VanDerWaalsContact OE1-OD1 3.07Å; E78-L129 HydrophobicContact CG-CD1 3.89Å; E78-L129 WeakPolarHBondContact OE1-CD1 3.32Å; E78-L129 WeakPolarHBondContact OE2-CD1 3.48Å
79D98.9Very high98.6Very high1 Ų143.1 Ų43.11%0.00527%0.265CS..SBendtrans36.454.2179.4-70.7-53.4000113.7P54 G56 C81 A105 T106 N107 M108P54-D79 WeakPolarHBondContact CG-O 3.2Å; G56-D79 VanDerWaalsContact CA-O 3.26Å; G56-D79 WeakPolarHBondContact CA-O 3.35Å; G56-D79 PolarHBondContact N-O 3.11Å; D79-C81 VanDerWaalsContact C-N 3.28Å; D79-C81 PolarHBondContact O-N 3.46Å; D79-A105 PolarHBondContact N-O 3.5Å; D79-T106 VanDerWaalsContact CG-OG1 3.29Å; D79-T106 VanDerWaalsContact OD1-CB 3.27Å; D79-T106 WeakPolarHBondContact OD1-CB 3.49Å; D79-T106 PolarHBondContact OD1-OG1 2.93Å; D79-T106 VanDerWaalsContact OD2-CA 3.29Å; D79-T106 WeakPolarHBondContact OD2-CA 3.45Å; D79-T106 PolarHBondContact OD2-OG1 2.96Å; D79-N107 PolarHBondContact OD2-N 3.05Å; D79-N107 PolarHBondContact OD2-OD1 3.36Å; D79-M108 HydrophobicContact CB-SD 4.07Å; D79-M108 WeakPolarHBondContact OD2-CG 3.35Å
80P98.9Very high98.6Very high1 Ų139.1 Ų39.11%0.00625%0.249CC..  trans-67.6-31.9-173.827.6-35000112.3W58 A63 A77 E78 F96W58-P80 WeakPolarHBondContact CB-O 3.48Å; W58-P80 HydrophobicContact CE3-CB 4.02Å; W58-P80 HydrophobicContact CZ3-CB 4Å; A63-P80 HydrophobicContact CB-CB 4.15Å; A77-P80 HydrophobicContact CB-CB 4.29Å; A77-P80 HydrophobicContact CB-CG 4.14Å; E78-P80 VanDerWaalsContact C-CD 3.44Å; E78-P80 VanDerWaalsContact C-N 3.31Å; E78-P80 VanDerWaalsContact O-N 3.08Å; P80-F96 HydrophobicContact CB-CD2 4.36Å; P80-F96 HydrophobicContact CB-CE1 4.45Å; P80-F96 HydrophobicContact CB-CE2 3.92Å; P80-F96 HydrophobicContact CB-CZ 4Å; P80-F96 HydrophobicContact CG-CD1 3.75Å; P80-F96 HydrophobicContact CG-CD2 3.99Å; P80-F96 HydrophobicContact CG-CE1 3.64Å; P80-F96 HydrophobicContact CG-CE2 3.84Å; P80-F96 HydrophobicContact CG-CG 3.94Å; P80-F96 HydrophobicContact CG-CZ 3.68Å
81C98.9Very high98.6Very high0 Ų042.5 Ų42.50%027%0.265CS..BIsolated β-bridgetrans-145.7171.2178.351.20000108.7W58 A63 D79 V92W58-C81 WeakPolarHBondContact O-CA 3.14Å; W58-C81 VanDerWaalsContact O-CB 3.31Å; W58-C81 WeakPolarHBondContact O-CB 3.43Å; A63-C81 HydrophobicContact CB-CB 3.81Å; D79-C81 VanDerWaalsContact C-N 3.28Å; D79-C81 PolarHBondContact O-N 3.46Å; C81-V92 HydrophobicContact CB-CG1 4.25Å
82G98.6Very high98.7Very high10 Ų1037 Ų3710%0.10324%0.241CC..  trans-147.9-165.9-177.800000111.6E84 K258G82-E84 PolarHBondContact O-N 3.47Å; G82-K258 PolarHBondContact O-NZ 3.29Å
83A98.8Very high98.8Very high57 Ų5733 Ų3347%0.47120%0.2SC..  trans-51134.1-17700000112.5F87 K258A83-F87 VanDerWaalsContact CA-O 3.27Å; A83-F87 WeakPolarHBondContact CA-O 3.46Å; A83-F87 WeakPolarHBondContact CB-O 3.49Å; A83-K258 VanDerWaalsContact O-CE 3.29Å; A83-K258 WeakPolarHBondContact O-CE 3.45Å; A83-K258 PolarHBondContact O-NZ 3.26Å
84E98.7Very high98.8Very high37 Ų3732.4 Ų32.417%0.17320%0.197CC..BIsolated β-bridgetrans-161.2157.3175.962-172.3-143.100110.6S59 L60 G82 G86 F87 V92 K258S59-E84 VanDerWaalsContact CA-OE2 3.31Å; S59-E84 WeakPolarHBondContact CA-OE2 3.42Å; L60-E84 WeakPolarHBondContact CB-OE1 3.23Å; L60-E84 PolarHBondContact N-OE1 3.16Å; L60-E84 PolarHBondContact N-OE2 3.11Å; G82-E84 PolarHBondContact O-N 3.47Å; E84-G86 PolarHBondContact O-N 2.9Å; E84-F87 PolarHBondContact N-O 3.44Å; E84-F87 WeakPolarHBondContact O-CB 3.38Å; E84-F87 PolarHBondContact O-N 2.59Å; E84-V92 HydrophobicContact CG-CG1 4.39Å; E84-V92 HydrophobicContact CG-CG2 4.05Å; E84-K258 IonicContact OE2-NZ 2.98Å
85Q98.3Very high98.8Very high164 Ų16436 Ų3677%0.76621%0.213SC*.THydrogen-bonded Turntrans55.226.8172.9-54-177.3-47.200115.5F87Q85-F87 VanDerWaalsContact C-N 3.33Å; Q85-F87 HydrophobicContact CB-CD2 4.12Å; Q85-F87 HydrophobicContact CB-CE2 4.39Å
86G98.4Very high98.8Very high84 Ų8434.7 Ų34.787%0.86620%0.202SC*.THydrogen-bonded Turntrans88.8-5.6-17800000114.5E84E84-G86 PolarHBondContact O-N 2.9Å
87F98.9Very high98.8Very high93 Ų9337.7 Ų37.741%0.40821%0.213SC..BIsolated β-bridgetrans-90.5140.9174.8-58.7-83000110.8A83 E84 Q85 E91 V92A83-F87 VanDerWaalsContact CA-O 3.27Å; A83-F87 WeakPolarHBondContact CA-O 3.46Å; A83-F87 WeakPolarHBondContact CB-O 3.49Å; E84-F87 PolarHBondContact N-O 3.44Å; E84-F87 WeakPolarHBondContact O-CB 3.38Å; E84-F87 PolarHBondContact O-N 2.59Å; Q85-F87 VanDerWaalsContact C-N 3.33Å; Q85-F87 HydrophobicContact CB-CD2 4.12Å; Q85-F87 HydrophobicContact CB-CE2 4.39Å; F87-E91 HydrophobicContact CB-CB 4.07Å; F87-E91 HydrophobicContact CD1-CB 4.32Å; F87-V92 HydrophobicContact CB-CG2 3.76Å
88S98.8Very high98.8Very high32 Ų3246.8 Ų46.822%0.22425%0.247CC..  trans-68.4158.9171.671.20000111.3R90 E91 V92S88-R90 PolarHBondContact O-N 2.9Å; S88-R90 VanDerWaalsContact O-N 3.1Å; S88-E91 WeakPolarHBondContact CA-OE2 3.5Å; S88-E91 WeakPolarHBondContact CB-OE2 3.29Å; S88-E91 PolarHBondContact N-OE2 3.28Å; S88-E91 PolarHBondContact O-N 2.73Å; S88-E91 PolarHBondContact OG-N 3.38Å; S88-E91 PolarHBondContact OG-OE2 3.49Å; S88-V92 WeakPolarHBondContact O-CG2 3.48Å; S88-V92 PolarHBondContact O-N 3.11Å; S88-V92 VanDerWaalsContact O-N 3.1Å
89G98.9Very high98.8Very high7 Ų748.8 Ų48.87%0.07226%0.263CS..Hα-helixtrans-57.4-28.6177.100000113.6M93G89-M93 VanDerWaalsContact O-CB 3.29Å; G89-M93 WeakPolarHBondContact O-CB 3.5Å; G89-M93 WeakPolarHBondContact O-CG 3.3Å; G89-M93 PolarHBondContact O-N 2.98Å
90R98.9Very high98.8Very high46 Ų4648.9 Ų48.917%0.17426%0.264CS..Hα-helixtrans-68.8-41.4175.4-70.4167-69-81.4-3.2112.6S88 A94 I109 T119 L122 S124S88-R90 PolarHBondContact O-N 2.9Å; S88-R90 VanDerWaalsContact O-N 3.1Å; R90-A94 WeakPolarHBondContact O-CB 3.22Å; R90-A94 PolarHBondContact O-N 3.39Å; R90-I109 HydrophobicContact CB-CD1 4.4Å; R90-I109 HydrophobicContact CG-CB 4.22Å; R90-I109 HydrophobicContact CG-CD1 3.87Å; R90-I109 HydrophobicContact CG-CG1 4.36Å; R90-I109 PolarHBondContact NH1-O 3.5Å; R90-T119 WeakPolarHBondContact CD-OG1 3.5Å; R90-T119 WeakPolarHBondContact CG-OG1 3.5Å; R90-L122 HydrophobicContact CB-CD1 3.73Å; R90-S124 WeakPolarHBondContact O-CB 3.36Å; R90-S124 PolarHBondContact O-OG 2.9Å
91E98.9Very high98.8Very high71 Ų7151.3 Ų51.333%0.33229%0.289SS..Hα-helixtrans-65.1-48.8176.6-71.8155.5130.400109.8F87 S88 M93 A94 E95 L122F87-E91 HydrophobicContact CB-CB 4.07Å; F87-E91 HydrophobicContact CD1-CB 4.32Å; S88-E91 WeakPolarHBondContact CA-OE2 3.5Å; S88-E91 WeakPolarHBondContact CB-OE2 3.29Å; S88-E91 PolarHBondContact N-OE2 3.28Å; S88-E91 PolarHBondContact O-N 2.73Å; S88-E91 PolarHBondContact OG-N 3.38Å; S88-E91 PolarHBondContact OG-OE2 3.49Å; E91-M93 PolarHBondContact O-N 2.66Å; E91-A94 WeakPolarHBondContact O-CB 3.5Å; E91-A94 PolarHBondContact O-N 2.88Å; E91-E95 PolarHBondContact O-N 3.39Å; E91-L122 HydrophobicContact CG-CD1 3.76Å; E91-L122 HydrophobicContact CG-CD2 4.31Å
92V98.9Very high98.8Very high3 Ų351.6 Ų51.62%0.01829%0.291CS..Hα-helixtrans-62.5-43.9-179.7-178.30000111.9L60 C81 E84 F87 S88 A94 E95 F96L60-V92 HydrophobicContact CB-CG1 3.91Å; L60-V92 HydrophobicContact CD1-CG1 3.95Å; L60-V92 HydrophobicContact CD2-CG1 4.27Å; L60-V92 HydrophobicContact CG-CG1 4.25Å; C81-V92 HydrophobicContact CB-CG1 4.25Å; E84-V92 HydrophobicContact CG-CG1 4.39Å; E84-V92 HydrophobicContact CG-CG2 4.05Å; F87-V92 HydrophobicContact CB-CG2 3.76Å; S88-V92 WeakPolarHBondContact O-CG2 3.48Å; S88-V92 PolarHBondContact O-N 3.11Å; S88-V92 VanDerWaalsContact O-N 3.1Å; V92-A94 VanDerWaalsContact C-N 3.35Å; V92-A94 PolarHBondContact O-N 3.4Å; V92-E95 WeakPolarHBondContact O-CB 3.44Å; V92-E95 PolarHBondContact O-N 3.43Å; V92-F96 PolarHBondContact O-N 3.36Å
93M98.9Very high98.8Very high0 Ų053.5 Ų53.50%030%0.301CS..Hα-helixtrans-67.5-32.9176.6-79.7-158.558.800113.3G89 E91 E95 F96 R97 T104 I109G89-M93 VanDerWaalsContact O-CB 3.29Å; G89-M93 WeakPolarHBondContact O-CB 3.5Å; G89-M93 WeakPolarHBondContact O-CG 3.3Å; G89-M93 PolarHBondContact O-N 2.98Å; E91-M93 PolarHBondContact O-N 2.66Å; M93-E95 VanDerWaalsContact C-N 3.32Å; M93-F96 PolarHBondContact O-N 3.28Å; M93-R97 VanDerWaalsContact O-CB 3.27Å; M93-R97 WeakPolarHBondContact O-CB 3.38Å; M93-R97 PolarHBondContact O-N 3.22Å; M93-T104 HydrophobicContact CE-CG2 3.57Å; M93-I109 HydrophobicContact CB-CD1 3.82Å; M93-I109 HydrophobicContact CG-CD1 3.85Å; M93-I109 HydrophobicContact SD-CD1 3.42Å; M93-I109 WeakPolarHBondContact SD-CD1 3.4Å; M93-I109 HydrophobicContact SD-CG1 3.99Å
94A98.9Very high98.8Very high14 Ų1450.8 Ų50.812%0.11628%0.279CS..Hα-helixtrans-64.4-38.4173.100000111.5R90 E91 V92 R98 L122R90-A94 WeakPolarHBondContact O-CB 3.22Å; R90-A94 PolarHBondContact O-N 3.39Å; E91-A94 WeakPolarHBondContact O-CB 3.5Å; E91-A94 PolarHBondContact O-N 2.88Å; V92-A94 VanDerWaalsContact C-N 3.35Å; V92-A94 PolarHBondContact O-N 3.4Å; A94-R98 WeakPolarHBondContact O-CB 3.4Å; A94-R98 PolarHBondContact O-N 2.9Å; A94-R98 VanDerWaalsContact O-N 3.11Å; A94-L122 HydrophobicContact CB-CB 4.39Å; A94-L122 WeakPolarHBondContact CB-O 3.44Å
95E98.9Very high98.8Very high93 Ų9349 Ų4944%0.43527%0.27SS..Hα-helixtrans-65.5-47.9173-68.9-176.7-162.600112L60 E91 V92 M93 R97 R98 A99L60-E95 HydrophobicContact CD1-CB 4.42Å; L60-E95 HydrophobicContact CD2-CB 4.01Å; L60-E95 VanDerWaalsContact CD2-OE2 3.23Å; L60-E95 WeakPolarHBondContact CD2-OE2 3.29Å; E91-E95 PolarHBondContact O-N 3.39Å; V92-E95 WeakPolarHBondContact O-CB 3.44Å; V92-E95 PolarHBondContact O-N 3.43Å; M93-E95 VanDerWaalsContact C-N 3.32Å; E95-R97 VanDerWaalsContact C-N 3.33Å; E95-R97 PolarHBondContact O-N 3.29Å; E95-R98 PolarHBondContact O-N 3.46Å; E95-A99 WeakPolarHBondContact O-CB 3.26Å; E95-A99 PolarHBondContact O-N 3.43Å
96F98.9Very high98.8Very high1 Ų141.3 Ų41.30%0.00423%0.234CC..Hα-helixtrans-53.7-50.3174.8168-88.5000111.5L60 A63 I64 A77 P80 V92 M93 R98 A99 T100 L102 T104L60-F96 HydrophobicContact CD1-CB 3.72Å; A63-F96 HydrophobicContact CB-CD2 3.75Å; A63-F96 HydrophobicContact CB-CE2 3.94Å; A63-F96 WeakPolarHBondContact O-CE2 3.42Å; I64-F96 HydrophobicContact CG1-CD2 4.23Å; A77-F96 HydrophobicContact CB-CE1 3.81Å; A77-F96 HydrophobicContact CB-CZ 3.71Å; P80-F96 HydrophobicContact CB-CD2 4.36Å; P80-F96 HydrophobicContact CB-CE1 4.45Å; P80-F96 HydrophobicContact CB-CE2 3.92Å; P80-F96 HydrophobicContact CB-CZ 4Å; P80-F96 HydrophobicContact CG-CD1 3.75Å; P80-F96 HydrophobicContact CG-CD2 3.99Å; P80-F96 HydrophobicContact CG-CE1 3.64Å; P80-F96 HydrophobicContact CG-CE2 3.84Å; P80-F96 HydrophobicContact CG-CG 3.94Å; P80-F96 HydrophobicContact CG-CZ 3.68Å; V92-F96 PolarHBondContact O-N 3.36Å; M93-F96 PolarHBondContact O-N 3.28Å; F96-R98 VanDerWaalsContact C-N 3.31Å; F96-R98 PolarHBondContact O-N 2.82Å; F96-A99 PolarHBondContact O-N 3.37Å; F96-T100 HydrophobicContact CD2-CG2 4Å; F96-T100 HydrophobicContact CE1-CG2 4.45Å; F96-T100 HydrophobicContact CE2-CG2 3.69Å; F96-T100 HydrophobicContact CZ-CG2 3.92Å; F96-T100 WeakPolarHBondContact O-CG2 3.13Å; F96-T100 PolarHBondContact O-N 3.45Å; F96-T100 PolarHBondContact O-OG1 3.37Å; F96-L102 HydrophobicContact CE1-CB 4.44Å; F96-L102 HydrophobicContact CZ-CD1 4.44Å; F96-T104 HydrophobicContact CD1-CG2 3.68Å; F96-T104 HydrophobicContact CE1-CG2 3.82Å
97R98.9Very high98.9Very high74 Ų7438.4 Ų38.428%0.27920%0.199SC..Hα-helixtrans-59-44.9-178.2-175.3178.3174.9-92.2-3.5110.8M93 E95 G101 T104 D126M93-R97 VanDerWaalsContact O-CB 3.27Å; M93-R97 WeakPolarHBondContact O-CB 3.38Å; M93-R97 PolarHBondContact O-N 3.22Å; E95-R97 VanDerWaalsContact C-N 3.33Å; E95-R97 PolarHBondContact O-N 3.29Å; R97-G101 VanDerWaalsContact O-CA 3.3Å; R97-G101 WeakPolarHBondContact O-CA 3.25Å; R97-G101 PolarHBondContact O-N 3.43Å; R97-T104 HydrophobicContact CB-CG2 3.92Å; R97-T104 HydrophobicContact CG-CG2 4.21Å; R97-D126 VanDerWaalsContact CD-OD2 3.31Å; R97-D126 WeakPolarHBondContact CD-OD2 3.2Å; R97-D126 IonicContact CZ-OD1 3.25Å; R97-D126 VanDerWaalsContact CZ-OD1 3.25Å; R97-D126 IonicContact CZ-OD2 3.94Å; R97-D126 IonicContact NE-OD1 3.85Å; R97-D126 PolarHBondContact NE-OD1 3.28Å; R97-D126 IonicContact NE-OD2 3.76Å; R97-D126 PolarHBondContact NE-OD2 2.84Å; R97-D126 IonicContact NH2-OD1 2.69Å; R97-D126 PolarHBondContact NH2-OD1 2.81Å; R97-D126 IonicContact NH2-OD2 3.02Å
98R98.8Very high98.9Very high195 Ų19538.1 Ų38.174%0.73620%0.2SC*.Hα-helixtrans-67.1-38.8178-167.7174.8-59.9-83.6-4.1112.7A94 E95 F96A94-R98 WeakPolarHBondContact O-CB 3.4Å; A94-R98 PolarHBondContact O-N 2.9Å; A94-R98 VanDerWaalsContact O-N 3.11Å; E95-R98 PolarHBondContact O-N 3.46Å; F96-R98 VanDerWaalsContact C-N 3.31Å; F96-R98 PolarHBondContact O-N 2.82Å
99A98.8Very high98.9Very high41 Ų4137.3 Ų37.334%0.33919%0.193SC..Hα-helixtrans-75-29.9-176.700000113.9I64 K68 E95 F96I64-A99 HydrophobicContact CD1-CB 3.64Å; I64-A99 HydrophobicContact CG1-CB 3.88Å; I64-A99 HydrophobicContact CG2-CB 4.23Å; K68-A99 WeakPolarHBondContact CE-O 3.35Å; E95-A99 WeakPolarHBondContact O-CB 3.26Å; E95-A99 PolarHBondContact O-N 3.43Å; F96-A99 PolarHBondContact O-N 3.37Å
100T98.8Very high98.9Very high4 Ų437.2 Ų37.23%0.02519%0.192CC..Hα-helixtrans-100.3-34.7-177.961.20000112.5I64 K68 K71 F96 L102I64-T100 HydrophobicContact CB-CG2 4.45Å; I64-T100 HydrophobicContact CG1-CG2 4.36Å; I64-T100 HydrophobicContact CG2-CG2 4.4Å; K68-T100 HydrophobicContact CG-CG2 4.36Å; K71-T100 WeakPolarHBondContact CE-O 3.01Å; K71-T100 PolarHBondContact NZ-O 3.47Å; F96-T100 HydrophobicContact CD2-CG2 4Å; F96-T100 HydrophobicContact CE1-CG2 4.45Å; F96-T100 HydrophobicContact CE2-CG2 3.69Å; F96-T100 HydrophobicContact CZ-CG2 3.92Å; F96-T100 WeakPolarHBondContact O-CG2 3.13Å; F96-T100 PolarHBondContact O-N 3.45Å; F96-T100 PolarHBondContact O-OG1 3.37Å; T100-L102 PolarHBondContact OG1-N 2.9Å
101G98.6Very high98.9Very high51 Ų5136.9 Ų36.953%0.52619%0.194SC..  trans72.212.2-168.100000113.6R97R97-G101 VanDerWaalsContact O-CA 3.3Å; R97-G101 WeakPolarHBondContact O-CA 3.25Å; R97-G101 PolarHBondContact O-N 3.43Å
102L98.8Very high98.9Very high7 Ų736.4 Ų36.44%0.03719%0.194CC..  trans-79.6140.1172.4-83.1169.7000110.1G67 L74 A77 F96 T100G67-L102 VanDerWaalsContact O-CD1 3.28Å; G67-L102 WeakPolarHBondContact O-CD1 3.24Å; L74-L102 HydrophobicContact CB-CD2 4.2Å; L74-L102 HydrophobicContact CD1-CD1 4.26Å; A77-L102 HydrophobicContact CB-CD1 4.47Å; F96-L102 HydrophobicContact CE1-CB 4.44Å; F96-L102 HydrophobicContact CZ-CD1 4.44Å; T100-L102 PolarHBondContact OG1-N 2.9Å
103P98.9Very high98.9Very high50 Ų5041 Ų4133%0.32521%0.212SC..  trans-60.9150.2165.2-18.931.7000110.7Y76 A77 D126Y76-P103 CarbonylContact C-O 3.04Å; Y76-P103 VanDerWaalsContact CA-O 3.27Å; Y76-P103 WeakPolarHBondContact CA-O 3.46Å; Y76-P103 WeakPolarHBondContact CB-O 3.4Å; A77-P103 PolarHBondContact N-O 3.08Å; P103-D126 VanDerWaalsContact CA-OD2 3.26Å; P103-D126 WeakPolarHBondContact CA-OD2 3.24Å; P103-D126 HydrophobicContact CB-CB 4.06Å
104T99Very high98.8Very high0 Ų050.5 Ų50.50%025%0.247CC..EExtended strand (participates in β ladder)trans-121.2137.4-174.146.30000111.7A77 M93 F96 R97 S124 V125 D126 I127A77-T104 VanDerWaalsContact O-CA 3.31Å; A77-T104 WeakPolarHBondContact O-CA 3.4Å; M93-T104 HydrophobicContact CE-CG2 3.57Å; F96-T104 HydrophobicContact CD1-CG2 3.68Å; F96-T104 HydrophobicContact CE1-CG2 3.82Å; R97-T104 HydrophobicContact CB-CG2 3.92Å; R97-T104 HydrophobicContact CG-CG2 4.21Å; T104-S124 PolarHBondContact OG1-O 3.48Å; T104-V125 WeakPolarHBondContact OG1-CA 3.33Å; T104-D126 PolarHBondContact N-OD2 3.33Å; T104-D126 PolarHBondContact O-N 3.14Å; T104-D126 PolarHBondContact OG1-N 2.73Å; T104-D126 PolarHBondContact OG1-OD2 3.34Å; T104-I127 PolarHBondContact O-N 3.32Å
105A99Very high98.8Very high0 Ų051.7 Ų51.70%025%0.251CS..EExtended strand (participates in β ladder)trans-117157.3173.100000110.9Y76 A77 E78 D79 I127 L129Y76-A105 HydrophobicContact CD2-CB 3.51Å; Y76-A105 HydrophobicContact CE2-CB 3.7Å; A77-A105 PolarHBondContact O-N 3.09Å; E78-A105 WeakPolarHBondContact CA-O 3.29Å; E78-A105 HydrophobicContact CB-CB 3.97Å; E78-A105 HydrophobicContact CG-CB 4.05Å; D79-A105 PolarHBondContact N-O 3.5Å; A105-I127 WeakPolarHBondContact CA-O 2.85Å; A105-I127 HydrophobicContact CB-CB 3.79Å; A105-I127 HydrophobicContact CB-CG2 4.34Å; A105-I127 WeakPolarHBondContact CB-O 3.23Å; A105-L129 HydrophobicContact CB-CD1 4.15Å; A105-L129 HydrophobicContact CB-CG 4.25Å
106T98.9Very high98.8Very high1 Ų147.3 Ų47.31%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-152144.1174.1-170.50000113.6D79 M108 I109 A110 V125 I127 L129D79-T106 VanDerWaalsContact CG-OG1 3.29Å; D79-T106 VanDerWaalsContact OD1-CB 3.27Å; D79-T106 WeakPolarHBondContact OD1-CB 3.49Å; D79-T106 PolarHBondContact OD1-OG1 2.93Å; D79-T106 VanDerWaalsContact OD2-CA 3.29Å; D79-T106 WeakPolarHBondContact OD2-CA 3.45Å; D79-T106 PolarHBondContact OD2-OG1 2.96Å; T106-M108 PolarHBondContact OG1-N 2.9Å; T106-I109 HydrophobicContact CG2-CG1 3.79Å; T106-I109 VanDerWaalsContact OG1-CG1 3.31Å; T106-I109 WeakPolarHBondContact OG1-CG1 3.48Å; T106-I109 PolarHBondContact OG1-N 3.2Å; T106-A110 HydrophobicContact CG2-CB 3.71Å; T106-V125 HydrophobicContact CG2-CB 4.39Å; T106-V125 HydrophobicContact CG2-CG1 3.89Å; T106-V125 HydrophobicContact CG2-CG2 3.55Å; T106-I127 PolarHBondContact N-O 2.86Å; T106-L129 VanDerWaalsContact O-CB 3.3Å; T106-L129 WeakPolarHBondContact O-CB 3.24Å; T106-L129 PolarHBondContact O-N 3.31Å
107N98.8Very high98.8Very high23 Ų2349 Ų4912%0.12325%0.247CC..SBendtrans-120.116.2159.671.5-89.5000112.1E78 D79 T111 L129 H157E78-N107 PolarHBondContact OE1-OD1 3.16Å; E78-N107 VanDerWaalsContact OE1-OD1 3.07Å; D79-N107 PolarHBondContact OD2-N 3.05Å; D79-N107 PolarHBondContact OD2-OD1 3.36Å; N107-T111 VanDerWaalsContact C-CG2 3.46Å; N107-T111 WeakPolarHBondContact O-CG2 3.42Å; N107-L129 HydrophobicContact CB-CB 4.23Å; N107-H157 HydrophobicContact CB-CB 3.69Å
108M98.8Very high98.8Very high88 Ų8850 Ų5043%0.43326%0.255SS..SBendtrans-123.9-43-174.2-61.4-17474.200114.3N55 D79 T106N55-M108 VanDerWaalsContact C-SD 3.52Å; N55-M108 VanDerWaalsContact CA-SD 3.58Å; N55-M108 HydrophobicContact CB-CE 4.43Å; N55-M108 HydrophobicContact CB-SD 3.75Å; D79-M108 HydrophobicContact CB-SD 4.07Å; D79-M108 WeakPolarHBondContact OD2-CG 3.35Å; T106-M108 PolarHBondContact OG1-N 2.9Å
109I98.9Very high98.8Very high15 Ų1540.8 Ų40.88%0.07722%0.221CC..SBendtrans-101.9-4.8-16968.5156000114.4R90 M93 T106 Q115 V125R90-I109 HydrophobicContact CB-CD1 4.4Å; R90-I109 HydrophobicContact CG-CB 4.22Å; R90-I109 HydrophobicContact CG-CD1 3.87Å; R90-I109 HydrophobicContact CG-CG1 4.36Å; R90-I109 PolarHBondContact NH1-O 3.5Å; M93-I109 HydrophobicContact CB-CD1 3.82Å; M93-I109 HydrophobicContact CG-CD1 3.85Å; M93-I109 HydrophobicContact SD-CD1 3.42Å; M93-I109 WeakPolarHBondContact SD-CD1 3.4Å; M93-I109 HydrophobicContact SD-CG1 3.99Å; T106-I109 HydrophobicContact CG2-CG1 3.79Å; T106-I109 VanDerWaalsContact OG1-CG1 3.31Å; T106-I109 WeakPolarHBondContact OG1-CG1 3.48Å; T106-I109 PolarHBondContact OG1-N 3.2Å; I109-Q115 PolarHBondContact O-OE1 3.18Å; I109-V125 HydrophobicContact CD1-CG2 3.87Å; I109-V125 HydrophobicContact CG1-CG2 4.17Å
110A98.9Very high98.8Very high5 Ų541.6 Ų41.64%0.04122%0.219CC..SBendtrans-139.955178.700000111.2T106 M116 T119 W135T106-A110 HydrophobicContact CG2-CB 3.71Å; A110-M116 HydrophobicContact CB-CE 3.93Å; A110-M116 HydrophobicContact CB-SD 4.33Å; A110-T119 HydrophobicContact CB-CG2 4.17Å; A110-W135 WeakPolarHBondContact O-CZ2 3.19Å
111T98.8Very high98.8Very high38 Ų3846.3 Ų46.323%0.23325%0.252CS..SBendtrans-97.7-1.6-171.155.40000114.9N107 Q115 F134 W135N107-T111 VanDerWaalsContact C-CG2 3.46Å; N107-T111 WeakPolarHBondContact O-CG2 3.42Å; T111-Q115 PolarHBondContact OG1-NE2 2.77Å; T111-Q115 PolarHBondContact OG1-OE1 3.31Å; T111-F134 HydrophobicContact CG2-CE2 4.17Å; T111-F134 HydrophobicContact CG2-CZ 4.36Å; T111-W135 VanDerWaalsContact C-CZ2 3.45Å
112D98.8Very high98.8Very high62 Ų6247 Ų4733%0.33224%0.243SC..SBendtrans-147.5169.4174.266.956.3000110.3R114 Q115 M116 W135D112-R114 VanDerWaalsContact C-N 3.29Å; D112-R114 PolarHBondContact O-N 2.97Å; D112-R114 WeakPolarHBondContact OD1-CA 3.41Å; D112-R114 VanDerWaalsContact OD1-CB 3.29Å; D112-R114 WeakPolarHBondContact OD1-CB 3.29Å; D112-R114 PolarHBondContact OD1-N 2.97Å; D112-Q115 PolarHBondContact O-N 2.71Å; D112-Q115 WeakPolarHBondContact OD1-CG 3.42Å; D112-Q115 PolarHBondContact OD1-N 3.24Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.5Å; D112-Q115 PolarHBondContact OD2-NE2 2.63Å; D112-M116 WeakPolarHBondContact O-CB 3.07Å; D112-M116 PolarHBondContact O-N 2.9Å; D112-W135 VanDerWaalsContact CA-CH2 3.48Å; D112-W135 WeakPolarHBondContact O-CH2 3.4Å
113W98.8Very high98.8Very high100 Ų10052.6 Ų52.638%0.37927%0.269SS..Hα-helixtrans-63.2-30.8-177.5-72.6111.5000113.9M116 G117 W135 R142 V143 M146W113-M116 PolarHBondContact O-N 3.01Å; W113-G117 PolarHBondContact O-N 3.13Å; W113-W135 AromaticContact CD1-CZ3 3.69Å; W113-W135 HydrophobicContact CD2-CH2 4.15Å; W113-W135 AromaticContact CD2-CZ3 3.61Å; W113-W135 HydrophobicContact CD2-CZ3 3.61Å; W113-W135 AromaticContact CE2-CZ3 3.48Å; W113-W135 VanDerWaalsContact CE2-CZ3 3.48Å; W113-W135 HydrophobicContact CE3-CH2 4.42Å; W113-W135 HydrophobicContact CE3-CZ3 4.24Å; W113-W135 HydrophobicContact CG-CH2 4.3Å; W113-W135 AromaticContact CG-CZ3 3.75Å; W113-W135 HydrophobicContact CG-CZ3 3.75Å; W113-W135 HydrophobicContact CZ2-CE3 4.48Å; W113-W135 AromaticContact CZ2-CZ3 3.97Å; W113-W135 HydrophobicContact CZ2-CZ3 3.97Å; W113-W135 AromaticContact NE1-CZ3 3.52Å; W113-R142 HydrophobicContact CH2-CB 3.91Å; W113-R142 HydrophobicContact CZ2-CB 3.7Å; W113-V143 HydrophobicContact CH2-CB 4.48Å; W113-V143 HydrophobicContact CH2-CG2 3.64Å; W113-V143 HydrophobicContact CZ2-CG2 3.94Å; W113-V143 HydrophobicContact CZ3-CG2 4.17Å; W113-M146 HydrophobicContact CZ3-SD 4.11Å
114R98.8Very high98.8Very high198 Ų19850.2 Ų50.275%0.74725%0.254SS*.Hα-helixtrans-69-47.6178.2175.1-175.2177.4-178.50.4109.9D112 M116 G117 H118D112-R114 VanDerWaalsContact C-N 3.29Å; D112-R114 PolarHBondContact O-N 2.97Å; D112-R114 WeakPolarHBondContact OD1-CA 3.41Å; D112-R114 VanDerWaalsContact OD1-CB 3.29Å; D112-R114 WeakPolarHBondContact OD1-CB 3.29Å; D112-R114 PolarHBondContact OD1-N 2.97Å; R114-M116 VanDerWaalsContact C-N 3.31Å; R114-G117 PolarHBondContact O-N 2.94Å; R114-H118 PolarHBondContact O-CD2 3.06Å; R114-H118 VanDerWaalsContact O-CD2 3.25Å; R114-H118 PolarHBondContact O-N 3.46Å
115Q98.9Very high98.8Very high40 Ų4050.5 Ų50.519%0.18726%0.255CS..Hα-helixtrans-61.5-43175.2-64.7178.430.400110.8I109 T111 D112 G117 H118 T119I109-Q115 PolarHBondContact O-OE1 3.18Å; T111-Q115 PolarHBondContact OG1-NE2 2.77Å; T111-Q115 PolarHBondContact OG1-OE1 3.31Å; D112-Q115 PolarHBondContact O-N 2.71Å; D112-Q115 WeakPolarHBondContact OD1-CG 3.42Å; D112-Q115 PolarHBondContact OD1-N 3.24Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.5Å; D112-Q115 PolarHBondContact OD2-NE2 2.63Å; Q115-G117 VanDerWaalsContact C-N 3.31Å; Q115-G117 PolarHBondContact O-N 3.44Å; Q115-H118 PolarHBondContact O-N 2.87Å; Q115-H118 VanDerWaalsContact O-N 3.14Å; Q115-T119 PolarHBondContact O-N 3.22Å; Q115-T119 PolarHBondContact O-OG1 3.29Å; Q115-T119 VanDerWaalsContact O-OG1 3.09Å
116M98.9Very high98.8Very high1 Ų151.8 Ų51.81%0.00526%0.262CS..Hα-helixtrans-56.6-43.1177.2-169.358.372.600112.2A110 D112 W113 R114 H118 T119 L120 P128 W135 V143 M146A110-M116 HydrophobicContact CB-CE 3.93Å; A110-M116 HydrophobicContact CB-SD 4.33Å; D112-M116 WeakPolarHBondContact O-CB 3.07Å; D112-M116 PolarHBondContact O-N 2.9Å; W113-M116 PolarHBondContact O-N 3.01Å; R114-M116 VanDerWaalsContact C-N 3.31Å; M116-H118 VanDerWaalsContact C-N 3.32Å; M116-H118 PolarHBondContact O-N 3.17Å; M116-T119 WeakPolarHBondContact O-CB 3.19Å; M116-T119 PolarHBondContact O-N 3.04Å; M116-T119 VanDerWaalsContact O-N 3.15Å; M116-T119 HydrophobicContact SD-CG2 4.45Å; M116-L120 HydrophobicContact CG-CD1 4.37Å; M116-L120 HydrophobicContact CG-CG 4.44Å; M116-L120 WeakPolarHBondContact O-CG 3.2Å; M116-L120 PolarHBondContact O-N 3.04Å; M116-P128 HydrophobicContact CE-CB 3.71Å; M116-P128 HydrophobicContact CE-CG 3.94Å; M116-P128 HydrophobicContact SD-CG 4.4Å; M116-W135 HydrophobicContact CB-CH2 4.49Å; M116-W135 HydrophobicContact CE-CH2 4.47Å; M116-W135 HydrophobicContact CE-CZ2 4.24Å; M116-V143 HydrophobicContact CE-CG1 4.09Å; M116-M146 HydrophobicContact CE-CE 4.29Å; M116-M146 HydrophobicContact CG-CE 3.89Å; M116-M146 HydrophobicContact CG-SD 4Å; M116-M146 HydrophobicContact SD-CE 3.75Å
117G98.7Very high98.8Very high35 Ų3552 Ų5236%0.36126%0.263SS..Hα-helixtrans-55.4-45.3176.300000113W113 R114 Q115 S121W113-G117 PolarHBondContact O-N 3.13Å; R114-G117 PolarHBondContact O-N 2.94Å; Q115-G117 VanDerWaalsContact C-N 3.31Å; Q115-G117 PolarHBondContact O-N 3.44Å; G117-S121 PolarHBondContact O-N 3.25Å; G117-S121 PolarHBondContact O-OG 3.33Å
118H98.9Very high98.8Very high95 Ų9551 Ų5144%0.4426%0.258SS..Hα-helixtrans-70.4-37.9176.2-63.4-58000112.7R114 Q115 M116 L120 S121 L122R114-H118 PolarHBondContact O-CD2 3.06Å; R114-H118 VanDerWaalsContact O-CD2 3.25Å; R114-H118 PolarHBondContact O-N 3.46Å; Q115-H118 PolarHBondContact O-N 2.87Å; Q115-H118 VanDerWaalsContact O-N 3.14Å; M116-H118 VanDerWaalsContact C-N 3.32Å; M116-H118 PolarHBondContact O-N 3.17Å; H118-L120 VanDerWaalsContact C-N 3.3Å; H118-L120 PolarHBondContact O-N 3.38Å; H118-S121 PolarHBondContact O-N 2.86Å; H118-L122 PolarHBondContact O-N 2.99Å
119T98.9Very high98.9Very high3 Ų346.9 Ų46.92%0.01824%0.238CC..Hα-helixtrans-59.2-41.7175.5-66.20000111.6R90 A110 Q115 M116 L122 Q123 S124 V125R90-T119 WeakPolarHBondContact CD-OG1 3.5Å; R90-T119 WeakPolarHBondContact CG-OG1 3.5Å; A110-T119 HydrophobicContact CB-CG2 4.17Å; Q115-T119 PolarHBondContact O-N 3.22Å; Q115-T119 PolarHBondContact O-OG1 3.29Å; Q115-T119 VanDerWaalsContact O-OG1 3.09Å; M116-T119 WeakPolarHBondContact O-CB 3.19Å; M116-T119 PolarHBondContact O-N 3.04Å; M116-T119 VanDerWaalsContact O-N 3.15Å; M116-T119 HydrophobicContact SD-CG2 4.45Å; T119-L122 PolarHBondContact O-N 2.9Å; T119-Q123 WeakPolarHBondContact O-CA 3.27Å; T119-Q123 PolarHBondContact O-N 3.45Å; T119-S124 PolarHBondContact O-N 3.13Å; T119-V125 HydrophobicContact CG2-CB 3.58Å; T119-V125 HydrophobicContact CG2-CG2 3.52Å
120L98.7Very high98.9Very high58 Ų5846.2 Ų46.230%0.30424%0.235SC..Hα-helixtrans-64.9-42.4176.4-69.8172.9000111.9M116 H118 L122 Q123 M146 F150 L152M116-L120 HydrophobicContact CG-CD1 4.37Å; M116-L120 HydrophobicContact CG-CG 4.44Å; M116-L120 WeakPolarHBondContact O-CG 3.2Å; M116-L120 PolarHBondContact O-N 3.04Å; H118-L120 VanDerWaalsContact C-N 3.3Å; H118-L120 PolarHBondContact O-N 3.38Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.42Å; L120-Q123 PolarHBondContact O-N 3.36Å; L120-M146 HydrophobicContact CD1-SD 3.93Å; L120-M146 HydrophobicContact CD2-CE 4.43Å; L120-F150 HydrophobicContact CD1-CE2 4.27Å; L120-F150 HydrophobicContact CD2-CD2 4.22Å; L120-L152 HydrophobicContact CD2-CD1 3.98Å
121S98.7Very high98.9Very high102 Ų10246 Ų4671%0.71323%0.233SC*.Hα-helixtrans-63.3-40178.3-63.20000112.7G117 H118G117-S121 PolarHBondContact O-N 3.25Å; G117-S121 PolarHBondContact O-OG 3.33Å; H118-S121 PolarHBondContact O-N 2.86Å
122L98.8Very high98.9Very high67 Ų6744.4 Ų44.435%0.35122%0.223SC..Hα-helixtrans-87.5-11.4-179.3-70.2166.1000113.3R90 E91 A94 H118 T119 L120 S124R90-L122 HydrophobicContact CB-CD1 3.73Å; E91-L122 HydrophobicContact CG-CD1 3.76Å; E91-L122 HydrophobicContact CG-CD2 4.31Å; A94-L122 HydrophobicContact CB-CB 4.39Å; A94-L122 WeakPolarHBondContact CB-O 3.44Å; H118-L122 PolarHBondContact O-N 2.99Å; T119-L122 PolarHBondContact O-N 2.9Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.42Å; L122-S124 WeakPolarHBondContact CB-OG 3.25Å; L122-S124 PolarHBondContact O-N 2.89Å
123Q98.9Very high98.8Very high123 Ų12345.6 Ų45.658%0.57523%0.226SC*.THydrogen-bonded Turntrans53.542.8-174-56.4-179.2-12.300112.3T119 L120T119-Q123 WeakPolarHBondContact O-CA 3.27Å; T119-Q123 PolarHBondContact O-N 3.45Å; L120-Q123 PolarHBondContact O-N 3.36Å
124S98.9Very high98.8Very high0 Ų044.9 Ų44.90%023%0.226CC..  trans-78-18.5-171.2-46.30000114.3R90 T104 T119 L122R90-S124 WeakPolarHBondContact O-CB 3.36Å; R90-S124 PolarHBondContact O-OG 2.9Å; T104-S124 PolarHBondContact OG1-O 3.48Å; T119-S124 PolarHBondContact O-N 3.13Å; L122-S124 WeakPolarHBondContact CB-OG 3.25Å; L122-S124 PolarHBondContact O-N 2.89Å
125V98.9Very high98.8Very high6 Ų636.3 Ų36.34%0.03619%0.194CC..  trans-139.8131.1-167.8176.90000109.8T104 T106 I109 T119 I127 P128T104-V125 WeakPolarHBondContact OG1-CA 3.33Å; T106-V125 HydrophobicContact CG2-CB 4.39Å; T106-V125 HydrophobicContact CG2-CG1 3.89Å; T106-V125 HydrophobicContact CG2-CG2 3.55Å; I109-V125 HydrophobicContact CD1-CG2 3.87Å; I109-V125 HydrophobicContact CG1-CG2 4.17Å; T119-V125 HydrophobicContact CG2-CB 3.58Å; T119-V125 HydrophobicContact CG2-CG2 3.52Å; V125-I127 VanDerWaalsContact CG1-C 3.48Å; V125-P128 HydrophobicContact CG1-CG 4.03Å
126D98.9Very high98.8Very high27 Ų2738.6 Ų38.614%0.14421%0.211CC..SBendtrans-94.1-30.4171.2-55-93.8000111.9R97 P103 T104 T153R97-D126 VanDerWaalsContact CD-OD2 3.31Å; R97-D126 WeakPolarHBondContact CD-OD2 3.2Å; R97-D126 IonicContact CZ-OD1 3.25Å; R97-D126 VanDerWaalsContact CZ-OD1 3.25Å; R97-D126 IonicContact CZ-OD2 3.94Å; R97-D126 IonicContact NE-OD1 3.85Å; R97-D126 PolarHBondContact NE-OD1 3.28Å; R97-D126 IonicContact NE-OD2 3.76Å; R97-D126 PolarHBondContact NE-OD2 2.84Å; R97-D126 IonicContact NH2-OD1 2.69Å; R97-D126 PolarHBondContact NH2-OD1 2.81Å; R97-D126 IonicContact NH2-OD2 3.02Å; P103-D126 VanDerWaalsContact CA-OD2 3.26Å; P103-D126 WeakPolarHBondContact CA-OD2 3.24Å; P103-D126 HydrophobicContact CB-CB 4.06Å; T104-D126 PolarHBondContact N-OD2 3.33Å; T104-D126 PolarHBondContact O-N 3.14Å; T104-D126 PolarHBondContact OG1-N 2.73Å; T104-D126 PolarHBondContact OG1-OD2 3.34Å; D126-T153 PolarHBondContact O-N 2.98Å
127I99Very high98.8Very high5 Ų542 Ų423%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-128.786.1-173.8-42.2-178.4000112.1Y76 T104 A105 T106 V125 L129 T153 T181Y76-I127 HydrophobicContact CD1-CD1 3.72Å; Y76-I127 HydrophobicContact CD2-CD1 4.04Å; Y76-I127 HydrophobicContact CE1-CD1 4.24Å; Y76-I127 HydrophobicContact CE2-CD1 4.49Å; Y76-I127 HydrophobicContact CG-CD1 3.61Å; T104-I127 PolarHBondContact O-N 3.32Å; A105-I127 WeakPolarHBondContact CA-O 2.85Å; A105-I127 HydrophobicContact CB-CB 3.79Å; A105-I127 HydrophobicContact CB-CG2 4.34Å; A105-I127 WeakPolarHBondContact CB-O 3.23Å; T106-I127 PolarHBondContact N-O 2.86Å; V125-I127 VanDerWaalsContact CG1-C 3.48Å; I127-L129 HydrophobicContact CG2-CD2 3.91Å; I127-L129 PolarHBondContact O-N 3.49Å; I127-T153 VanDerWaalsContact CA-O 3.25Å; I127-T153 WeakPolarHBondContact CA-O 3.36Å; I127-T153 WeakPolarHBondContact CG2-O 3.29Å; I127-T181 HydrophobicContact CG2-CG2 3.69Å
128P98.9Very high98.8Very high2 Ų248 Ų481%0.01325%0.246CC..EExtended strand (participates in β ladder)trans-66.1120.4169.5-19.433.5000110.7M116 V125 A130 V143 T153 G155M116-P128 HydrophobicContact CE-CB 3.71Å; M116-P128 HydrophobicContact CE-CG 3.94Å; M116-P128 HydrophobicContact SD-CG 4.4Å; V125-P128 HydrophobicContact CG1-CG 4.03Å; P128-A130 VanDerWaalsContact C-N 3.34Å; P128-A130 PolarHBondContact O-N 3.17Å; P128-V143 HydrophobicContact CB-CG1 4.03Å; P128-T153 WeakPolarHBondContact CD-O 3.41Å; P128-G155 PolarHBondContact O-N 3.04Å; P128-G155 VanDerWaalsContact O-O 3.1Å
129L98.9Very high98.8Very high3 Ų343.7 Ų43.72%0.01623%0.228CC..BIsolated β-bridgetrans-90.772.2177.6-58.8177.2000109.8E78 A105 T106 N107 I127 D131 G155 H157E78-L129 HydrophobicContact CG-CD1 3.89Å; E78-L129 WeakPolarHBondContact OE1-CD1 3.32Å; E78-L129 WeakPolarHBondContact OE2-CD1 3.48Å; A105-L129 HydrophobicContact CB-CD1 4.15Å; A105-L129 HydrophobicContact CB-CG 4.25Å; T106-L129 VanDerWaalsContact O-CB 3.3Å; T106-L129 WeakPolarHBondContact O-CB 3.24Å; T106-L129 PolarHBondContact O-N 3.31Å; N107-L129 HydrophobicContact CB-CB 4.23Å; I127-L129 HydrophobicContact CG2-CD2 3.91Å; I127-L129 PolarHBondContact O-N 3.49Å; L129-D131 VanDerWaalsContact C-N 3.32Å; L129-D131 PolarHBondContact O-N 2.86Å; L129-G155 CarbonylContact C-O 3.58Å; L129-G155 WeakPolarHBondContact CA-O 3.26Å; L129-H157 HydrophobicContact CB-CB 3.91Å
130A98.9Very high98.8Very high1 Ų143.6 Ų43.61%0.00823%0.227CC..  trans-79.775.9-169.900000112.1P128 W135 S140 V143 G155P128-A130 VanDerWaalsContact C-N 3.34Å; P128-A130 PolarHBondContact O-N 3.17Å; A130-W135 VanDerWaalsContact CA-CD1 3.46Å; A130-W135 HydrophobicContact CB-CD2 4.41Å; A130-W135 HydrophobicContact CB-CG 4.07Å; A130-S140 VanDerWaalsContact O-CB 3.3Å; A130-S140 WeakPolarHBondContact O-CB 3.42Å; A130-S140 PolarHBondContact O-OG 3.19Å; A130-V143 HydrophobicContact CB-CB 3.9Å; A130-V143 HydrophobicContact CB-CG1 3.89Å; A130-V143 HydrophobicContact CB-CG2 4.13Å; A130-G155 PolarHBondContact N-O 3.22Å
131D98.8Very high98.8Very high1 Ų142 Ų421%0.00522%0.22CC..  trans-53.8121.7177-172.1-23000111.6L129 H133 F134 W135 S156 H157L129-D131 VanDerWaalsContact C-N 3.32Å; L129-D131 PolarHBondContact O-N 2.86Å; D131-H133 PolarHBondContact O-N 2.89Å; D131-H133 VanDerWaalsContact O-N 3.11Å; D131-H133 WeakPolarHBondContact OD1-CB 3.33Å; D131-H133 IonicContact OD1-CE1 2.68Å; D131-H133 IonicContact OD1-CG 2.85Å; D131-H133 PolarHBondContact OD1-N 3.3Å; D131-H133 IonicContact OD1-ND1 3.95Å; D131-H133 PolarHBondContact OD1-ND1 2.95Å; D131-H133 IonicContact OD2-ND1 3.68Å; D131-F134 HydrophobicContact CB-CD1 3.58Å; D131-F134 HydrophobicContact CB-CE1 3.22Å; D131-F134 HydrophobicContact CB-CE2 4.35Å; D131-F134 HydrophobicContact CB-CG 4.29Å; D131-F134 HydrophobicContact CB-CZ 3.63Å; D131-F134 PolarHBondContact O-N 3.47Å; D131-F134 VanDerWaalsContact O-N 3.16Å; D131-W135 WeakPolarHBondContact O-CB 3.43Å; D131-W135 PolarHBondContact O-N 3.43Å; D131-S156 WeakPolarHBondContact CA-OG 3.31Å; D131-H157 HydrophobicContact CB-CB 4.09Å; D131-H157 VanDerWaalsContact CG-O 3.3Å; D131-H157 IonicContact OD2-CE1 2.77Å; D131-H157 IonicContact OD2-ND1 2.71Å; D131-H157 PolarHBondContact OD2-ND1 3.19Å
132P98.8Very high98.8Very high4 Ų443.8 Ų43.83%0.02621%0.211CC..Hα-helixtrans-64.6-16-178.927.4-35.4000113.7F134 T136 M137 S156 F169 V172P132-F134 VanDerWaalsContact C-N 3.35Å; P132-T136 CarbonylContact O-C 3.51Å; P132-T136 WeakPolarHBondContact O-CA 3.37Å; P132-T136 PolarHBondContact O-N 3.35Å; P132-M137 HydrophobicContact CB-CG 4.28Å; P132-S156 VanDerWaalsContact CD-OG 3.3Å; P132-S156 WeakPolarHBondContact CD-OG 3.47Å; P132-F169 HydrophobicContact CG-CB 3.92Å; P132-V172 HydrophobicContact CB-CG1 4.44Å; P132-V172 HydrophobicContact CB-CG2 3.93Å; P132-V172 HydrophobicContact CG-CG2 4.29Å
133H98.7Very high98.8Very high86 Ų8640.6 Ų40.640%0.39819%0.194SC..Hα-helixtrans-70.8-29.6176.1-5891000112.5D131 S165D131-H133 PolarHBondContact O-N 2.89Å; D131-H133 VanDerWaalsContact O-N 3.11Å; D131-H133 WeakPolarHBondContact OD1-CB 3.33Å; D131-H133 IonicContact OD1-CE1 2.68Å; D131-H133 IonicContact OD1-CG 2.85Å; D131-H133 PolarHBondContact OD1-N 3.3Å; D131-H133 IonicContact OD1-ND1 3.95Å; D131-H133 PolarHBondContact OD1-ND1 2.95Å; D131-H133 IonicContact OD2-ND1 3.68Å; H133-S165 VanDerWaalsContact NE2-CB 3.31Å; H133-S165 WeakPolarHBondContact NE2-CB 3.44Å; H133-S165 PolarHBondContact NE2-OG 3.3Å
134F98.5Very high98.8Very high86 Ų8634.8 Ų34.838%0.37717%0.167SC..Hα-helixtrans-111.9-13.7175.864.6-112.7000114.5T111 D131 P132 H157T111-F134 HydrophobicContact CG2-CE2 4.17Å; T111-F134 HydrophobicContact CG2-CZ 4.36Å; D131-F134 HydrophobicContact CB-CD1 3.58Å; D131-F134 HydrophobicContact CB-CE1 3.22Å; D131-F134 HydrophobicContact CB-CE2 4.35Å; D131-F134 HydrophobicContact CB-CG 4.29Å; D131-F134 HydrophobicContact CB-CZ 3.63Å; D131-F134 PolarHBondContact O-N 3.47Å; D131-F134 VanDerWaalsContact O-N 3.16Å; P132-F134 VanDerWaalsContact C-N 3.35Å; F134-H157 AromaticContact CE1-ND1 3.99Å
135W98.8Very high98.9Very high17 Ų1738.8 Ų38.86%0.06419%0.186CC..Hα-helixtrans-93.7-11.3171.1-83.195000114.5A110 T111 D112 W113 M116 A130 D131 G139 V143A110-W135 WeakPolarHBondContact O-CZ2 3.19Å; T111-W135 VanDerWaalsContact C-CZ2 3.45Å; D112-W135 VanDerWaalsContact CA-CH2 3.48Å; D112-W135 WeakPolarHBondContact O-CH2 3.4Å; W113-W135 AromaticContact CD1-CZ3 3.69Å; W113-W135 HydrophobicContact CD2-CH2 4.15Å; W113-W135 AromaticContact CD2-CZ3 3.61Å; W113-W135 HydrophobicContact CD2-CZ3 3.61Å; W113-W135 AromaticContact CE2-CZ3 3.48Å; W113-W135 VanDerWaalsContact CE2-CZ3 3.48Å; W113-W135 HydrophobicContact CE3-CH2 4.42Å; W113-W135 HydrophobicContact CE3-CZ3 4.24Å; W113-W135 HydrophobicContact CG-CH2 4.3Å; W113-W135 AromaticContact CG-CZ3 3.75Å; W113-W135 HydrophobicContact CG-CZ3 3.75Å; W113-W135 HydrophobicContact CZ2-CE3 4.48Å; W113-W135 AromaticContact CZ2-CZ3 3.97Å; W113-W135 HydrophobicContact CZ2-CZ3 3.97Å; W113-W135 AromaticContact NE1-CZ3 3.52Å; M116-W135 HydrophobicContact CB-CH2 4.49Å; M116-W135 HydrophobicContact CE-CH2 4.47Å; M116-W135 HydrophobicContact CE-CZ2 4.24Å; A130-W135 VanDerWaalsContact CA-CD1 3.46Å; A130-W135 HydrophobicContact CB-CD2 4.41Å; A130-W135 HydrophobicContact CB-CG 4.07Å; D131-W135 WeakPolarHBondContact O-CB 3.43Å; D131-W135 PolarHBondContact O-N 3.43Å; W135-G139 WeakPolarHBondContact O-CA 3.21Å; W135-V143 HydrophobicContact CD2-CG2 4.06Å; W135-V143 HydrophobicContact CE3-CG2 3.83Å; W135-V143 HydrophobicContact CH2-CG2 3.82Å; W135-V143 HydrophobicContact CZ2-CG2 4.08Å; W135-V143 HydrophobicContact CZ3-CG2 3.71Å
136T98.8Very high98.9Very high89 Ų8939.3 Ų39.355%0.54619%0.188SC..  trans64.2156.4-153.878.70000112.3P132 Q138 G139 S140P132-T136 CarbonylContact O-C 3.51Å; P132-T136 WeakPolarHBondContact O-CA 3.37Å; P132-T136 PolarHBondContact O-N 3.35Å; T136-Q138 PolarHBondContact O-N 2.94Å; T136-G139 PolarHBondContact O-N 2.83Å; T136-G139 PolarHBondContact OG1-N 3.49Å; T136-G139 VanDerWaalsContact OG1-N 3.08Å; T136-S140 WeakPolarHBondContact O-CB 3.42Å; T136-S140 PolarHBondContact O-N 3.07Å
137M98.8Very high98.8Very high71 Ų7138.1 Ų38.135%0.3518%0.182SC..Hα-helixtrans-56.7-49.4177.2-65.8174.371.700111.8P132 S140 V141 V172 L216P132-M137 HydrophobicContact CB-CG 4.28Å; M137-S140 PolarHBondContact O-N 2.91Å; M137-V141 WeakPolarHBondContact O-CG2 3.33Å; M137-V141 PolarHBondContact O-N 3.47Å; M137-V141 VanDerWaalsContact O-N 3.08Å; M137-V172 HydrophobicContact CB-CG2 3.71Å; M137-V172 HydrophobicContact CE-CG2 3.99Å; M137-V172 HydrophobicContact CG-CG2 3.77Å; M137-L216 HydrophobicContact CE-CD2 4.39Å
138Q98.9Very high98.8Very high161 Ų16143 Ų4375%0.75220%0.204SC*.Hα-helixtrans-65.7-40.8179.9-67.9172.77200112T136 S140 V141 R142T136-Q138 PolarHBondContact O-N 2.94Å; Q138-S140 VanDerWaalsContact C-N 3.35Å; Q138-V141 PolarHBondContact O-N 2.93Å; Q138-R142 WeakPolarHBondContact O-CG 3.25Å; Q138-R142 PolarHBondContact O-N 2.98Å
139G98.8Very high98.8Very high6 Ų649.5 Ų49.56%0.06224%0.235CC..Hα-helixtrans-63.7-41.2177.200000112.1W135 T136 R142 V143W135-G139 WeakPolarHBondContact O-CA 3.21Å; T136-G139 PolarHBondContact O-N 2.83Å; T136-G139 PolarHBondContact OG1-N 3.49Å; T136-G139 VanDerWaalsContact OG1-N 3.08Å; G139-R142 WeakPolarHBondContact O-CB 3.31Å; G139-R142 PolarHBondContact O-N 3.04Å; G139-V143 PolarHBondContact O-N 3.41Å
140S98.9Very high98.8Very high0 Ų055.6 Ų55.60%026%0.261CS..Hα-helixtrans-62.8-45.7176.1179.40000112.3A130 T136 M137 Q138 R142 V143 A144 W154 V172A130-S140 VanDerWaalsContact O-CB 3.3Å; A130-S140 WeakPolarHBondContact O-CB 3.42Å; A130-S140 PolarHBondContact O-OG 3.19Å; T136-S140 WeakPolarHBondContact O-CB 3.42Å; T136-S140 PolarHBondContact O-N 3.07Å; M137-S140 PolarHBondContact O-N 2.91Å; Q138-S140 VanDerWaalsContact C-N 3.35Å; S140-R142 VanDerWaalsContact C-N 3.28Å; S140-R142 PolarHBondContact O-N 3.11Å; S140-V143 WeakPolarHBondContact O-CB 3.31Å; S140-V143 PolarHBondContact O-N 3.22Å; S140-A144 PolarHBondContact O-N 2.57Å; S140-W154 PolarHBondContact O-NE1 2.95Å; S140-W154 WeakPolarHBondContact OG-CZ2 3.36Å; S140-V172 WeakPolarHBondContact OG-CG1 3.21Å
141V98.9Very high98.8Very high25 Ų2558.8 Ų58.815%0.15229%0.294CS..Hα-helixtrans-61.4-36.9174.8176.60000111.5M137 Q138 V143 A144 Q145 V172 A175M137-V141 WeakPolarHBondContact O-CG2 3.33Å; M137-V141 PolarHBondContact O-N 3.47Å; M137-V141 VanDerWaalsContact O-N 3.08Å; Q138-V141 PolarHBondContact O-N 2.93Å; V141-V143 VanDerWaalsContact C-N 3.33Å; V141-V143 PolarHBondContact O-N 3.29Å; V141-A144 WeakPolarHBondContact O-CA 3.45Å; V141-A144 WeakPolarHBondContact O-CB 3.31Å; V141-A144 PolarHBondContact O-N 3.26Å; V141-A144 VanDerWaalsContact O-N 3.11Å; V141-Q145 HydrophobicContact CG1-CG 4.5Å; V141-Q145 WeakPolarHBondContact O-CG 3.35Å; V141-Q145 PolarHBondContact O-N 2.63Å; V141-V172 HydrophobicContact CG2-CB 4.47Å; V141-V172 HydrophobicContact CG2-CG1 3.96Å; V141-A175 HydrophobicContact CG1-CB 4.24Å; V141-A175 HydrophobicContact CG2-CB 4.03Å
142R98.9Very high98.8Very high140 Ų14060.7 Ų60.753%0.52830%0.304SS..Hα-helixtrans-63.7-36.2173.4-76.6175.159.3-157.2-5.9112.8W113 Q138 G139 S140 A144 M146W113-R142 HydrophobicContact CH2-CB 3.91Å; W113-R142 HydrophobicContact CZ2-CB 3.7Å; Q138-R142 WeakPolarHBondContact O-CG 3.25Å; Q138-R142 PolarHBondContact O-N 2.98Å; G139-R142 WeakPolarHBondContact O-CB 3.31Å; G139-R142 PolarHBondContact O-N 3.04Å; S140-R142 VanDerWaalsContact C-N 3.28Å; S140-R142 PolarHBondContact O-N 3.11Å; R142-A144 VanDerWaalsContact C-N 3.33Å; R142-M146 WeakPolarHBondContact O-CB 3.46Å; R142-M146 PolarHBondContact O-N 2.85Å; R142-M146 VanDerWaalsContact O-N 3.09Å
143V98.9Very high98.8Very high0 Ų062.4 Ų62.40%032%0.315CS..Hα-helixtrans-65.4-40171.2179.90000110.1W113 M116 P128 A130 W135 G139 S140 V141 Q145 M146 C147W113-V143 HydrophobicContact CH2-CB 4.48Å; W113-V143 HydrophobicContact CH2-CG2 3.64Å; W113-V143 HydrophobicContact CZ2-CG2 3.94Å; W113-V143 HydrophobicContact CZ3-CG2 4.17Å; M116-V143 HydrophobicContact CE-CG1 4.09Å; P128-V143 HydrophobicContact CB-CG1 4.03Å; A130-V143 HydrophobicContact CB-CB 3.9Å; A130-V143 HydrophobicContact CB-CG1 3.89Å; A130-V143 HydrophobicContact CB-CG2 4.13Å; W135-V143 HydrophobicContact CD2-CG2 4.06Å; W135-V143 HydrophobicContact CE3-CG2 3.83Å; W135-V143 HydrophobicContact CH2-CG2 3.82Å; W135-V143 HydrophobicContact CZ2-CG2 4.08Å; W135-V143 HydrophobicContact CZ3-CG2 3.71Å; G139-V143 PolarHBondContact O-N 3.41Å; S140-V143 WeakPolarHBondContact O-CB 3.31Å; S140-V143 PolarHBondContact O-N 3.22Å; V141-V143 VanDerWaalsContact C-N 3.33Å; V141-V143 PolarHBondContact O-N 3.29Å; V143-Q145 PolarHBondContact O-N 2.94Å; V143-M146 HydrophobicContact CG1-CE 4.16Å; V143-M146 PolarHBondContact O-N 3.42Å; V143-C147 PolarHBondContact O-N 3.37Å; V143-C147 PolarHBondContact O-SG 2.94Å
144A98.9Very high98.8Very high1 Ų158.5 Ų58.51%0.00830%0.296CS..Hα-helixtrans-61.8-43.4176.700000113.3S140 V141 R142 C147 H148 W154 A176S140-A144 PolarHBondContact O-N 2.57Å; V141-A144 WeakPolarHBondContact O-CA 3.45Å; V141-A144 WeakPolarHBondContact O-CB 3.31Å; V141-A144 PolarHBondContact O-N 3.26Å; V141-A144 VanDerWaalsContact O-N 3.11Å; R142-A144 VanDerWaalsContact C-N 3.33Å; A144-C147 WeakPolarHBondContact O-CB 3.26Å; A144-C147 PolarHBondContact O-N 3.3Å; A144-H148 PolarHBondContact O-N 2.66Å; A144-W154 HydrophobicContact CB-CB 3.95Å; A144-W154 HydrophobicContact CB-CD2 3.81Å; A144-W154 HydrophobicContact CB-CG 3.5Å; A144-A176 HydrophobicContact CB-CB 3.67Å
145Q99Very high98.8Very high83 Ų8354.4 Ų54.439%0.38828%0.278SS..Hα-helixtrans-58.7-50.6173.7-70.6168.5-32.500111.3V141 V143 C147 H148 E149 P177V141-Q145 HydrophobicContact CG1-CG 4.5Å; V141-Q145 WeakPolarHBondContact O-CG 3.35Å; V141-Q145 PolarHBondContact O-N 2.63Å; V143-Q145 PolarHBondContact O-N 2.94Å; Q145-C147 VanDerWaalsContact C-N 3.31Å; Q145-C147 PolarHBondContact O-N 2.79Å; Q145-H148 WeakPolarHBondContact O-CB 3.47Å; Q145-H148 PolarHBondContact O-N 2.92Å; Q145-H148 VanDerWaalsContact O-N 3.16Å; Q145-E149 VanDerWaalsContact O-CG 3.29Å; Q145-E149 WeakPolarHBondContact O-CG 3.27Å; Q145-E149 PolarHBondContact O-N 3.09Å; Q145-P177 HydrophobicContact CG-CG 4.16Å
146M98.9Very high98.8Very high18 Ų1853.7 Ų53.79%0.08928%0.276CS..Hα-helixtrans-57.7-42.9176178.5-159.677.300111.8W113 M116 L120 R142 V143 H148 E149 F150 L152W113-M146 HydrophobicContact CZ3-SD 4.11Å; M116-M146 HydrophobicContact CE-CE 4.29Å; M116-M146 HydrophobicContact CG-CE 3.89Å; M116-M146 HydrophobicContact CG-SD 4Å; M116-M146 HydrophobicContact SD-CE 3.75Å; L120-M146 HydrophobicContact CD1-SD 3.93Å; L120-M146 HydrophobicContact CD2-CE 4.43Å; R142-M146 WeakPolarHBondContact O-CB 3.46Å; R142-M146 PolarHBondContact O-N 2.85Å; R142-M146 VanDerWaalsContact O-N 3.09Å; V143-M146 HydrophobicContact CG1-CE 4.16Å; V143-M146 PolarHBondContact O-N 3.42Å; M146-H148 VanDerWaalsContact C-N 3.34Å; M146-H148 PolarHBondContact O-N 3.47Å; M146-E149 PolarHBondContact O-N 2.76Å; M146-F150 HydrophobicContact CG-CD2 3.71Å; M146-F150 HydrophobicContact CG-CE2 3.78Å; M146-F150 HydrophobicContact CG-CG 4.49Å; M146-F150 WeakPolarHBondContact O-CB 3.41Å; M146-F150 PolarHBondContact O-N 3Å; M146-L152 HydrophobicContact CE-CD1 4.47Å
147C98.9Very high98.8Very high1 Ų150.6 Ų50.61%0.00726%0.255CS..Hα-helixtrans-59.4-47.2177-750000111.3V143 A144 Q145 E149 F150 G151 L152 W154V143-C147 PolarHBondContact O-N 3.37Å; V143-C147 PolarHBondContact O-SG 2.94Å; A144-C147 WeakPolarHBondContact O-CB 3.26Å; A144-C147 PolarHBondContact O-N 3.3Å; Q145-C147 VanDerWaalsContact C-N 3.31Å; Q145-C147 PolarHBondContact O-N 2.79Å; C147-E149 PolarHBondContact O-N 2.95Å; C147-F150 PolarHBondContact O-N 2.8Å; C147-G151 PolarHBondContact O-N 2.9Å; C147-L152 HydrophobicContact CB-CB 3.96Å; C147-L152 PolarHBondContact O-N 3.47Å; C147-W154 HydrophobicContact CB-CB 4.04Å
148H98.8Very high98.8Very high109 Ų10947.3 Ų47.351%0.50524%0.239SC..Hα-helixtrans-60.8-45.3177.5179.452.8000112.3A144 Q145 M146 F150 P177A144-H148 PolarHBondContact O-N 2.66Å; Q145-H148 WeakPolarHBondContact O-CB 3.47Å; Q145-H148 PolarHBondContact O-N 2.92Å; Q145-H148 VanDerWaalsContact O-N 3.16Å; M146-H148 VanDerWaalsContact C-N 3.34Å; M146-H148 PolarHBondContact O-N 3.47Å; H148-F150 PolarHBondContact O-N 3.28Å; H148-P177 HydrophobicContact CB-CB 4.29Å; H148-P177 HydrophobicContact CB-CG 3.77Å
149E98.8Very high98.8Very high138 Ų13843.4 Ų43.465%0.64522%0.223SC*.Hα-helixtrans-66.8-33.8-178.4-70.9163.9-168.300112.9Q145 M146 C147Q145-E149 VanDerWaalsContact O-CG 3.29Å; Q145-E149 WeakPolarHBondContact O-CG 3.27Å; Q145-E149 PolarHBondContact O-N 3.09Å; M146-E149 PolarHBondContact O-N 2.76Å; C147-E149 PolarHBondContact O-N 2.95Å
150F98.7Very high98.8Very high130 Ų13047.7 Ų47.757%0.5725%0.245SC*.Hα-helixtrans-1016.1-177.2-63.8-10.7000114.1L120 M146 C147 H148 L152L120-F150 HydrophobicContact CD1-CE2 4.27Å; L120-F150 HydrophobicContact CD2-CD2 4.22Å; M146-F150 HydrophobicContact CG-CD2 3.71Å; M146-F150 HydrophobicContact CG-CE2 3.78Å; M146-F150 HydrophobicContact CG-CG 4.49Å; M146-F150 WeakPolarHBondContact O-CB 3.41Å; M146-F150 PolarHBondContact O-N 3Å; C147-F150 PolarHBondContact O-N 2.8Å; H148-F150 PolarHBondContact O-N 3.28Å; F150-L152 VanDerWaalsContact C-N 3.33Å; F150-L152 PolarHBondContact O-N 3.12Å
151G98.6Very high98.8Very high68 Ų6848.5 Ų48.570%0.70125%0.249SC*.THydrogen-bonded Turntrans72.522.4178.500000114.6C147C147-G151 PolarHBondContact O-N 2.9Å
152L98.8Very high98.8Very high42 Ų4250.8 Ų50.822%0.2226%0.257CS..  trans-87.9178168.2-53.3178.3000110.1L120 M146 C147 F150L120-L152 HydrophobicContact CD2-CD1 3.98Å; M146-L152 HydrophobicContact CE-CD1 4.47Å; C147-L152 HydrophobicContact CB-CB 3.96Å; C147-L152 PolarHBondContact O-N 3.47Å; F150-L152 VanDerWaalsContact C-N 3.33Å; F150-L152 PolarHBondContact O-N 3.12Å
153T98.9Very high98.8Very high40 Ų4044.2 Ų44.225%0.24523%0.232CC..  trans-118.1127.5174.9-59.90000109.5D126 I127 P128 T181D126-T153 PolarHBondContact O-N 2.98Å; I127-T153 VanDerWaalsContact CA-O 3.25Å; I127-T153 WeakPolarHBondContact CA-O 3.36Å; I127-T153 WeakPolarHBondContact CG2-O 3.29Å; P128-T153 WeakPolarHBondContact CD-O 3.41Å; T153-T181 HydrophobicContact CG2-CG2 4.5Å
154W98.9Very high98.8Very high4 Ų446.7 Ų46.72%0.01525%0.245CC..  trans-84146.7174.6178.985.9000111.5S140 A144 C147 V172 A173 A176 I180 T181 I183S140-W154 PolarHBondContact O-NE1 2.95Å; S140-W154 WeakPolarHBondContact OG-CZ2 3.36Å; A144-W154 HydrophobicContact CB-CB 3.95Å; A144-W154 HydrophobicContact CB-CD2 3.81Å; A144-W154 HydrophobicContact CB-CG 3.5Å; C147-W154 HydrophobicContact CB-CB 4.04Å; W154-V172 HydrophobicContact CH2-CG1 4.01Å; W154-V172 HydrophobicContact CZ2-CG1 3.85Å; W154-A173 HydrophobicContact CH2-CB 4Å; W154-A173 HydrophobicContact CZ3-CB 3.87Å; W154-A176 HydrophobicContact CD2-CB 4.26Å; W154-A176 HydrophobicContact CE3-CB 3.7Å; W154-A176 HydrophobicContact CZ3-CB 3.87Å; W154-I180 HydrophobicContact CB-CG2 4.38Å; W154-I180 HydrophobicContact CE3-CB 4.07Å; W154-I180 HydrophobicContact CE3-CD1 4.44Å; W154-I180 HydrophobicContact CE3-CG2 3.76Å; W154-I180 HydrophobicContact CZ3-CD1 4.25Å; W154-I180 WeakPolarHBondContact O-CA 3.27Å; W154-T181 PolarHBondContact O-N 3.36Å; W154-I183 HydrophobicContact CE3-CD1 4.07Å; W154-I183 HydrophobicContact CH2-CD1 3.86Å; W154-I183 HydrophobicContact CZ3-CD1 3.37Å; W154-I183 HydrophobicContact CZ3-CG1 4.48Å
155G98.9Very high98.8Very high0 Ų047.8 Ų47.80%025%0.252CS..BIsolated β-bridgetrans-145.8-178.8164.600000110.4P128 L129 A130P128-G155 PolarHBondContact O-N 3.04Å; P128-G155 VanDerWaalsContact O-O 3.1Å; L129-G155 CarbonylContact C-O 3.58Å; L129-G155 WeakPolarHBondContact CA-O 3.26Å; A130-G155 PolarHBondContact N-O 3.22Å
156S98.9Very high98.8Very high1 Ų143.8 Ų43.81%0.00723%0.234CC..  trans-132.3138.5175-177.40000109.5D131 P132 D184D131-S156 WeakPolarHBondContact CA-OG 3.31Å; P132-S156 VanDerWaalsContact CD-OG 3.3Å; P132-S156 WeakPolarHBondContact CD-OG 3.47Å; S156-D184 VanDerWaalsContact O-CB 3.22Å; S156-D184 WeakPolarHBondContact O-CB 3.26Å; S156-D184 PolarHBondContact O-N 2.72Å; S156-D184 VanDerWaalsContact O-N 3.13Å
157H98.8Very high98.8Very high24 Ų2443 Ų4311%0.11123%0.23CC..  trans-79.6165.4166.9159.5-80.5000110N107 L129 D131 F134 N159N107-H157 HydrophobicContact CB-CB 3.69Å; L129-H157 HydrophobicContact CB-CB 3.91Å; D131-H157 HydrophobicContact CB-CB 4.09Å; D131-H157 VanDerWaalsContact CG-O 3.3Å; D131-H157 IonicContact OD2-CE1 2.77Å; D131-H157 IonicContact OD2-ND1 2.71Å; D131-H157 PolarHBondContact OD2-ND1 3.19Å; F134-H157 AromaticContact CE1-ND1 3.99Å; H157-N159 PolarHBondContact CE1-ND2 3.11Å
158S98.6Very high98.8Very high3 Ų344.9 Ų44.92%0.02124%0.239CC..  trans-145.5157.1170.466.50000113D184 T185 H186S158-D184 WeakPolarHBondContact CB-O 3.46Å; S158-D184 PolarHBondContact OG-O 3.01Å; S158-T185 WeakPolarHBondContact OG-CA 3.4Å; S158-T185 PolarHBondContact OG-N 2.86Å; S158-H186 PolarHBondContact O-CE1 3.34Å; S158-H186 PolarHBondContact O-ND1 3.16Å; S158-H186 PolarHBondContact OG-N 3.49Å; S158-H186 PolarHBondContact OG-ND1 2.7Å
159N98.5Very high98.6Very high78 Ų7840.2 Ų40.242%0.41722%0.217SC..  trans-109175.2160.3-76.6-77.4000109.7H157 H161 R240H157-N159 PolarHBondContact CE1-ND2 3.11Å; N159-H161 PolarHBondContact O-CD2 3Å; N159-H161 PolarHBondContact O-N 3.48Å; N159-R240 PolarHBondContact OD1-NH1 3.26Å
160N98.6Very high98.6Very high97 Ų9734.2 Ų34.252%0.51919%0.19SC..SBendtrans-52.1129.9166.4-66.2101.4000110.8Q190N160-Q190 PolarHBondContact ND2-NE2 3.08Å; N160-Q190 PolarHBondContact ND2-OE1 2.85Å
161H98.8Very high98.6Very high17 Ų1730.1 Ų30.18%0.07917%0.172CC..  trans-150.5164.6-171.27074.6000112N159 F169 T185N159-H161 PolarHBondContact O-CD2 3Å; N159-H161 PolarHBondContact O-N 3.48Å; H161-F169 AromaticContact CE1-CE1 3.57Å; H161-F169 AromaticContact CE1-CZ 3.95Å; H161-F169 AromaticContact NE2-CE1 3.48Å; H161-F169 WeakPolarHBondContact NE2-CE1 3.27Å; H161-F169 AromaticContact NE2-CZ 3.86Å; H161-T185 PolarHBondContact NE2-OG1 2.94Å; H161-T185 VanDerWaalsContact NE2-OG1 3.12Å
162F98.8Very high98.7Very high73 Ų7327 Ų2732%0.3214%0.14SC..  trans-92.5177171.3-72.3-78.3000112I164 S165 L166 Q194 L196F162-I164 PolarHBondContact O-N 3.09Å; F162-S165 PolarHBondContact O-N 2.85Å; F162-L166 PolarHBondContact O-N 3.4Å; F162-Q194 HydrophobicContact CE1-CB 4.32Å; F162-L196 HydrophobicContact CB-CD1 3.66Å; F162-L196 HydrophobicContact CB-CG 3.9Å; F162-L196 HydrophobicContact CD1-CD1 3.97Å; F162-L196 HydrophobicContact CD1-CD2 4.16Å; F162-L196 HydrophobicContact CD1-CG 3.59Å; F162-L196 HydrophobicContact CD2-CD1 3.58Å; F162-L196 HydrophobicContact CD2-CG 4.17Å; F162-L196 HydrophobicContact CE1-CD1 4.49Å; F162-L196 HydrophobicContact CE1-CD2 4.15Å; F162-L196 HydrophobicContact CE1-CG 4.09Å; F162-L196 HydrophobicContact CE2-CD1 4.16Å; F162-L196 HydrophobicContact CG-CD1 3.46Å; F162-L196 VanDerWaalsContact CG-CD1 3.46Å; F162-L196 HydrophobicContact CG-CD2 4.48Å; F162-L196 HydrophobicContact CG-CG 3.62Å; F162-L196 HydrophobicContact CZ-CD2 4.47Å
163D98.9Very high98.7Very high2 Ų225.9 Ų25.91%0.01114%0.136CC..Hα-helixtrans-64.1-19.9179.250.1-18.9000114.6L166 A167 W187 L196 T197 P200D163-L166 WeakPolarHBondContact O-CB 3.35Å; D163-L166 PolarHBondContact O-N 3.03Å; D163-A167 PolarHBondContact O-N 3.25Å; D163-A167 VanDerWaalsContact O-N 3.08Å; D163-W187 HydrophobicContact CB-CH2 3.62Å; D163-W187 HydrophobicContact CB-CZ2 4.1Å; D163-W187 HydrophobicContact CB-CZ3 4.04Å; D163-L196 WeakPolarHBondContact OD1-CB 3.31Å; D163-L196 PolarHBondContact OD1-N 3.09Å; D163-L196 PolarHBondContact OD2-N 3.48Å; D163-T197 WeakPolarHBondContact OD2-CA 3.47Å; D163-T197 VanDerWaalsContact OD2-CB 3.23Å; D163-T197 WeakPolarHBondContact OD2-CB 3.03Å; D163-T197 WeakPolarHBondContact OD2-CG2 3.26Å; D163-T197 PolarHBondContact OD2-N 2.97Å; D163-T197 PolarHBondContact OD2-OG1 3.38Å; D163-P200 HydrophobicContact CB-CB 3.89Å; D163-P200 HydrophobicContact CB-CG 4.39Å; D163-P200 WeakPolarHBondContact OD2-CG 3.47Å
164I98.9Very high98.7Very high52 Ų5226.7 Ų26.727%0.26715%0.148SC..Hα-helixtrans-65.3-48.3170.6-62.6175.9000110.5F162 L166 A167 M168 L196 T197 I220F162-I164 PolarHBondContact O-N 3.09Å; I164-L166 VanDerWaalsContact C-N 3.29Å; I164-L166 PolarHBondContact O-N 3.05Å; I164-A167 PolarHBondContact O-N 3.48Å; I164-M168 HydrophobicContact CG2-SD 4.26Å; I164-M168 WeakPolarHBondContact O-CG 3.37Å; I164-M168 PolarHBondContact O-N 3.26Å; I164-L196 HydrophobicContact CD1-CB 4.21Å; I164-L196 HydrophobicContact CD1-CD1 4.35Å; I164-L196 HydrophobicContact CG1-CB 4.47Å; I164-T197 HydrophobicContact CG1-CG2 3.78Å; I164-I220 HydrophobicContact CD1-CD1 4.49Å
165S98.8Very high98.7Very high23 Ų2329.2 Ų29.216%0.16117%0.169CC..Hα-helixtrans-63.6-36.5175.2-70.80000111.7H133 F162 A167 M168 F169H133-S165 VanDerWaalsContact NE2-CB 3.31Å; H133-S165 WeakPolarHBondContact NE2-CB 3.44Å; H133-S165 PolarHBondContact NE2-OG 3.3Å; F162-S165 PolarHBondContact O-N 2.85Å; S165-A167 VanDerWaalsContact C-N 3.32Å; S165-A167 PolarHBondContact O-N 3.14Å; S165-M168 WeakPolarHBondContact O-CB 3.47Å; S165-M168 PolarHBondContact O-N 2.83Å; S165-M168 VanDerWaalsContact O-N 3.11Å; S165-F169 WeakPolarHBondContact O-CD1 3.22Å; S165-F169 WeakPolarHBondContact O-CE1 3.49Å; S165-F169 PolarHBondContact O-N 3.15Å
166L98.8Very high98.7Very high0 Ų029.9 Ų29.90%017%0.174CC..Hα-helixtrans-54.3-48.7172.9179.661.4000111.3F162 D163 I164 F169 T170 W187 F201F162-L166 PolarHBondContact O-N 3.4Å; D163-L166 WeakPolarHBondContact O-CB 3.35Å; D163-L166 PolarHBondContact O-N 3.03Å; I164-L166 VanDerWaalsContact C-N 3.29Å; I164-L166 PolarHBondContact O-N 3.05Å; L166-F169 VanDerWaalsContact CA-CE1 3.45Å; L166-F169 HydrophobicContact CB-CE1 4.39Å; L166-F169 HydrophobicContact CB-CZ 4.31Å; L166-F169 HydrophobicContact CD1-CE1 4.2Å; L166-F169 HydrophobicContact CD1-CE2 3.71Å; L166-F169 HydrophobicContact CD1-CZ 3.32Å; L166-F169 HydrophobicContact CG-CZ 4.38Å; L166-T170 VanDerWaalsContact O-CB 3.28Å; L166-T170 WeakPolarHBondContact O-CB 3.46Å; L166-T170 PolarHBondContact O-N 3.35Å; L166-T170 PolarHBondContact O-OG1 3.43Å; L166-W187 HydrophobicContact CD2-CD2 3.93Å; L166-W187 HydrophobicContact CD2-CG 3.93Å; L166-W187 HydrophobicContact CD2-CZ2 4.45Å; L166-F201 HydrophobicContact CD2-CB 3.89Å; L166-F201 WeakPolarHBondContact CD2-O 3.37Å; L166-F201 HydrophobicContact CG-CB 4.26Å
167A98.8Very high98.6Very high0 Ų031.9 Ų31.90%019%0.187CC..Hα-helixtrans-63-43.3174.400000112.1D163 I164 S165 F169 T170 H171 F201 L216 V218D163-A167 PolarHBondContact O-N 3.25Å; D163-A167 VanDerWaalsContact O-N 3.08Å; I164-A167 PolarHBondContact O-N 3.48Å; S165-A167 VanDerWaalsContact C-N 3.32Å; S165-A167 PolarHBondContact O-N 3.14Å; A167-F169 PolarHBondContact O-N 3.34Å; A167-T170 PolarHBondContact O-N 3.34Å; A167-H171 PolarHBondContact O-CD2 3.26Å; A167-H171 VanDerWaalsContact O-CD2 3.24Å; A167-H171 PolarHBondContact O-N 3.36Å; A167-F201 HydrophobicContact CB-CD2 4.37Å; A167-F201 HydrophobicContact CB-CE2 3.75Å; A167-F201 HydrophobicContact CB-CZ 3.88Å; A167-L216 HydrophobicContact CB-CB 4.46Å; A167-V218 HydrophobicContact CB-CG1 3.63Å
168M98.9Very high98.6Very high42 Ų4233.4 Ų33.421%0.20721%0.21CC..Hα-helixtrans-56-54.1179.4-70.516652.700112.5I164 S165 T170 H171 V172 L216I164-M168 HydrophobicContact CG2-SD 4.26Å; I164-M168 WeakPolarHBondContact O-CG 3.37Å; I164-M168 PolarHBondContact O-N 3.26Å; S165-M168 WeakPolarHBondContact O-CB 3.47Å; S165-M168 PolarHBondContact O-N 2.83Å; S165-M168 VanDerWaalsContact O-N 3.11Å; M168-T170 VanDerWaalsContact C-N 3.35Å; M168-H171 PolarHBondContact O-N 3.09Å; M168-V172 WeakPolarHBondContact O-CG2 3.35Å; M168-V172 PolarHBondContact O-N 2.89Å; M168-V172 VanDerWaalsContact O-N 3.12Å; M168-L216 HydrophobicContact CG-CD1 4.2Å; M168-L216 HydrophobicContact CG-CD2 4.39Å
169F95.7Very high98.6Very high11 Ų1141.3 Ų41.35%0.04824%0.244CC..Hα-helixtrans-76.2-22.8-178.568.3-110.1000113P132 H161 S165 L166 A167 V172 A173 I183P132-F169 HydrophobicContact CG-CB 3.92Å; H161-F169 AromaticContact CE1-CE1 3.57Å; H161-F169 AromaticContact CE1-CZ 3.95Å; H161-F169 AromaticContact NE2-CE1 3.48Å; H161-F169 WeakPolarHBondContact NE2-CE1 3.27Å; H161-F169 AromaticContact NE2-CZ 3.86Å; S165-F169 WeakPolarHBondContact O-CD1 3.22Å; S165-F169 WeakPolarHBondContact O-CE1 3.49Å; S165-F169 PolarHBondContact O-N 3.15Å; L166-F169 VanDerWaalsContact CA-CE1 3.45Å; L166-F169 HydrophobicContact CB-CE1 4.39Å; L166-F169 HydrophobicContact CB-CZ 4.31Å; L166-F169 HydrophobicContact CD1-CE1 4.2Å; L166-F169 HydrophobicContact CD1-CE2 3.71Å; L166-F169 HydrophobicContact CD1-CZ 3.32Å; L166-F169 HydrophobicContact CG-CZ 4.38Å; A167-F169 PolarHBondContact O-N 3.34Å; F169-V172 PolarHBondContact O-N 2.96Å; F169-A173 VanDerWaalsContact O-CB 3.31Å; F169-A173 WeakPolarHBondContact O-CB 3.33Å; F169-A173 PolarHBondContact O-N 3.44Å; F169-I183 HydrophobicContact CD2-CG2 3.81Å; F169-I183 HydrophobicContact CE2-CG2 4.09Å
170T98.8Very high98.7Very high11 Ų1140.2 Ų40.27%0.06724%0.237CC..Hα-helixtrans-60.3-47.6169.7-63.20000110.5L166 A167 M168 A173 A174 F201 V208 V210L166-T170 VanDerWaalsContact O-CB 3.28Å; L166-T170 WeakPolarHBondContact O-CB 3.46Å; L166-T170 PolarHBondContact O-N 3.35Å; L166-T170 PolarHBondContact O-OG1 3.43Å; A167-T170 PolarHBondContact O-N 3.34Å; M168-T170 VanDerWaalsContact C-N 3.35Å; T170-A173 PolarHBondContact O-N 2.96Å; T170-A174 VanDerWaalsContact O-CB 3.3Å; T170-A174 WeakPolarHBondContact O-CB 3.45Å; T170-A174 PolarHBondContact O-N 2.9Å; T170-F201 HydrophobicContact CG2-CD2 4.2Å; T170-F201 HydrophobicContact CG2-CE2 4.16Å; T170-V208 HydrophobicContact CG2-CG1 3.92Å; T170-V210 HydrophobicContact CG2-CG2 4.28Å
171H98.9Very high98.7Very high44 Ų4435.8 Ų35.820%0.20421%0.214CC..Hα-helixtrans-67.2-36.4177-81-79000112.9A167 M168 A174 A175 G215 L216A167-H171 PolarHBondContact O-CD2 3.26Å; A167-H171 VanDerWaalsContact O-CD2 3.24Å; A167-H171 PolarHBondContact O-N 3.36Å; M168-H171 PolarHBondContact O-N 3.09Å; H171-A174 PolarHBondContact O-N 3.43Å; H171-A175 PolarHBondContact O-N 3.49Å; H171-G215 PolarHBondContact CE1-O 2.96Å; H171-L216 PolarHBondContact NE2-O 2.94Å
172V98.9Very high98.7Very high3 Ų337.2 Ų37.22%0.01823%0.228CC..Hα-helixtrans-63.8-48.1174.2168.70000111P132 M137 S140 V141 W154 M168 F169 A174 A175 A176P132-V172 HydrophobicContact CB-CG1 4.44Å; P132-V172 HydrophobicContact CB-CG2 3.93Å; P132-V172 HydrophobicContact CG-CG2 4.29Å; M137-V172 HydrophobicContact CB-CG2 3.71Å; M137-V172 HydrophobicContact CE-CG2 3.99Å; M137-V172 HydrophobicContact CG-CG2 3.77Å; S140-V172 WeakPolarHBondContact OG-CG1 3.21Å; V141-V172 HydrophobicContact CG2-CB 4.47Å; V141-V172 HydrophobicContact CG2-CG1 3.96Å; W154-V172 HydrophobicContact CH2-CG1 4.01Å; W154-V172 HydrophobicContact CZ2-CG1 3.85Å; M168-V172 WeakPolarHBondContact O-CG2 3.35Å; M168-V172 PolarHBondContact O-N 2.89Å; M168-V172 VanDerWaalsContact O-N 3.12Å; F169-V172 PolarHBondContact O-N 2.96Å; V172-A174 VanDerWaalsContact C-N 3.31Å; V172-A174 PolarHBondContact O-N 2.86Å; V172-A175 PolarHBondContact O-N 2.78Å; V172-A175 VanDerWaalsContact O-N 3.11Å; V172-A176 PolarHBondContact O-N 2.89Å
173A98.9Very high98.7Very high18 Ų1835.6 Ų35.615%0.14922%0.223CC..Hα-helixtrans-65.1-35.4178.300000112.1W154 F169 T170 A175 A176 I180 I183W154-A173 HydrophobicContact CH2-CB 4Å; W154-A173 HydrophobicContact CZ3-CB 3.87Å; F169-A173 VanDerWaalsContact O-CB 3.31Å; F169-A173 WeakPolarHBondContact O-CB 3.33Å; F169-A173 PolarHBondContact O-N 3.44Å; T170-A173 PolarHBondContact O-N 2.96Å; A173-A175 PolarHBondContact O-N 3.41Å; A173-A176 WeakPolarHBondContact O-CB 3.34Å; A173-A176 PolarHBondContact O-N 3.41Å; A173-A176 VanDerWaalsContact O-N 3.11Å; A173-I180 HydrophobicContact CB-CD1 4.46Å; A173-I183 HydrophobicContact CB-CD1 4.38Å; A173-I183 HydrophobicContact CB-CG1 4.09Å
174A98.8Very high98.6Very high58 Ų5836.4 Ų36.448%0.47923%0.227SC..Hα-helixtrans-61.6-25.9174.100000113.3T170 H171 V172 V210T170-A174 VanDerWaalsContact O-CB 3.3Å; T170-A174 WeakPolarHBondContact O-CB 3.45Å; T170-A174 PolarHBondContact O-N 2.9Å; H171-A174 PolarHBondContact O-N 3.43Å; V172-A174 VanDerWaalsContact C-N 3.31Å; V172-A174 PolarHBondContact O-N 2.86Å; A174-V210 HydrophobicContact CB-CG1 4.19Å; A174-V210 HydrophobicContact CB-CG2 3.54Å
175A98.9Very high98.6Very high56 Ų5635.5 Ų35.546%0.46322%0.224SC..THydrogen-bonded Turntrans-94-4.6177.400000113.7V141 H171 V172 A173V141-A175 HydrophobicContact CG1-CB 4.24Å; V141-A175 HydrophobicContact CG2-CB 4.03Å; H171-A175 PolarHBondContact O-N 3.49Å; V172-A175 PolarHBondContact O-N 2.78Å; V172-A175 VanDerWaalsContact O-N 3.11Å; A173-A175 PolarHBondContact O-N 3.41Å
176A98.9Very high98.6Very high14 Ų1437.1 Ų37.112%0.11623%0.229CC..  trans-76.1122.5178.700000110.6A144 W154 V172 A173 I180A144-A176 HydrophobicContact CB-CB 3.67Å; W154-A176 HydrophobicContact CD2-CB 4.26Å; W154-A176 HydrophobicContact CE3-CB 3.7Å; W154-A176 HydrophobicContact CZ3-CB 3.87Å; V172-A176 PolarHBondContact O-N 2.89Å; A173-A176 WeakPolarHBondContact O-CB 3.34Å; A173-A176 PolarHBondContact O-N 3.41Å; A173-A176 VanDerWaalsContact O-N 3.11Å; A176-I180 HydrophobicContact CB-CG2 3.75Å
177P98.8Very high98.6Very high43 Ų4337.3 Ų37.328%0.27923%0.23SC..  trans-77.2152.7-17730-33.8000112.8Q145 H148Q145-P177 HydrophobicContact CG-CG 4.16Å; H148-P177 HydrophobicContact CB-CB 4.29Å; H148-P177 HydrophobicContact CB-CG 3.77Å
178G98.4Very high98.6Very high56 Ų5639.5 Ų39.558%0.57724%0.241SC*.SBendtrans72.2-147.6170.400000114.3
179K98.7Very high98.6Very high170 Ų17044.6 Ų44.674%0.73926%0.258SS*.PPolyproline II helixtrans-89.4116.1-179.6-176.1-176176.7-177.20110.1
180I98.8Very high98.8Very high55 Ų5545.5 Ų45.528%0.28226%0.262SS..PPolyproline II helixtrans-102163.9172.365175.6000110.7W154 A173 A176 I183W154-I180 HydrophobicContact CB-CG2 4.38Å; W154-I180 HydrophobicContact CE3-CB 4.07Å; W154-I180 HydrophobicContact CE3-CD1 4.44Å; W154-I180 HydrophobicContact CE3-CG2 3.76Å; W154-I180 HydrophobicContact CZ3-CD1 4.25Å; W154-I180 WeakPolarHBondContact O-CA 3.27Å; A173-I180 HydrophobicContact CB-CD1 4.46Å; A176-I180 HydrophobicContact CB-CG2 3.75Å; I180-I183 HydrophobicContact CD1-CD1 4.36Å
181T98.8Very high98.7Very high4 Ų447.9 Ų47.93%0.02527%0.272CS..PPolyproline II helixtrans-83.5164.8165-168.70000110.4R49 I127 T153 W154R49-T181 PolarHBondContact NH2-OG1 2.94Å; I127-T181 HydrophobicContact CG2-CG2 3.69Å; T153-T181 HydrophobicContact CG2-CG2 4.5Å; W154-T181 PolarHBondContact O-N 3.36Å
182A98.6Very high98.7Very high46 Ų4648.9 Ų48.938%0.3829%0.294SS..PPolyproline II helixtrans-55.6143.2168.800000110.7D21D21-A182 HydrophobicContact CB-CB 3.98Å
183I98.7Very high98.7Very high40 Ų4054.9 Ų54.921%0.20533%0.326CS..PPolyproline II helixtrans-91.7129.4-171-60.8-53.6000110.1W154 F169 A173 I180 T185W154-I183 HydrophobicContact CE3-CD1 4.07Å; W154-I183 HydrophobicContact CH2-CD1 3.86Å; W154-I183 HydrophobicContact CZ3-CD1 3.37Å; W154-I183 HydrophobicContact CZ3-CG1 4.48Å; F169-I183 HydrophobicContact CD2-CG2 3.81Å; F169-I183 HydrophobicContact CE2-CG2 4.09Å; A173-I183 HydrophobicContact CB-CD1 4.38Å; A173-I183 HydrophobicContact CB-CG1 4.09Å; I180-I183 HydrophobicContact CD1-CD1 4.36Å; I183-T185 PolarHBondContact O-N 3.36Å
184D98.8Very high98.7Very high18 Ų1857.6 Ų57.610%0.09634%0.336CS..PPolyproline II helixtrans-64.8136.1174.6-705.2000110K23 S156 S158K23-D184 WeakPolarHBondContact CD-OD2 3.27Å; K23-D184 IonicContact NZ-OD2 3.37Å; K23-D184 PolarHBondContact NZ-OD2 3.25Å; S156-D184 VanDerWaalsContact O-CB 3.22Å; S156-D184 WeakPolarHBondContact O-CB 3.26Å; S156-D184 PolarHBondContact O-N 2.72Å; S156-D184 VanDerWaalsContact O-N 3.13Å; S158-D184 WeakPolarHBondContact CB-O 3.46Å; S158-D184 PolarHBondContact OG-O 3.01Å
185T98.8Very high98.7Very high33 Ų3358.6 Ų58.620%0.20233%0.327CS..  trans-148.7133.8173.1175.60000110S158 H161 I183 W187 I203S158-T185 WeakPolarHBondContact OG-CA 3.4Å; S158-T185 PolarHBondContact OG-N 2.86Å; H161-T185 PolarHBondContact NE2-OG1 2.94Å; H161-T185 VanDerWaalsContact NE2-OG1 3.12Å; I183-T185 PolarHBondContact O-N 3.36Å; T185-W187 WeakPolarHBondContact OG1-CB 3.29Å; T185-W187 PolarHBondContact OG1-N 3.24Å; T185-W187 VanDerWaalsContact OG1-N 3.1Å; T185-I203 HydrophobicContact CG2-CD1 4.21Å
186H98.7Very high98.7Very high58 Ų5857 Ų5727%0.26931%0.311SS..  trans-87.22.6171.8-7869.8000112.1S158 I188 W189 Q190S158-H186 PolarHBondContact O-CE1 3.34Å; S158-H186 PolarHBondContact O-ND1 3.16Å; S158-H186 PolarHBondContact OG-N 3.49Å; S158-H186 PolarHBondContact OG-ND1 2.7Å; H186-I188 PolarHBondContact O-N 2.76Å; H186-W189 WeakPolarHBondContact O-CB 3.22Å; H186-W189 VanDerWaalsContact O-CD1 3.26Å; H186-W189 PolarHBondContact O-N 3.25Å; H186-Q190 PolarHBondContact O-OE1 2.91Å
187W98.8Very high98.7Very high4 Ų456.3 Ų56.32%0.01531%0.306CS..G310 helixtrans-52.4-36.8-172.6-174.6-124.2000113.9D163 L166 T185 W189 Q190 E191 Q194 P200D163-W187 HydrophobicContact CB-CH2 3.62Å; D163-W187 HydrophobicContact CB-CZ2 4.1Å; D163-W187 HydrophobicContact CB-CZ3 4.04Å; L166-W187 HydrophobicContact CD2-CD2 3.93Å; L166-W187 HydrophobicContact CD2-CG 3.93Å; L166-W187 HydrophobicContact CD2-CZ2 4.45Å; T185-W187 WeakPolarHBondContact OG1-CB 3.29Å; T185-W187 PolarHBondContact OG1-N 3.24Å; T185-W187 VanDerWaalsContact OG1-N 3.1Å; W187-W189 PolarHBondContact O-N 3.39Å; W187-Q190 HydrophobicContact CE3-CB 4.34Å; W187-Q190 HydrophobicContact CZ3-CB 4.32Å; W187-Q190 CarbonylContact O-C 3.52Å; W187-Q190 PolarHBondContact O-N 3.19Å; W187-E191 HydrophobicContact CD2-CB 4.44Å; W187-E191 HydrophobicContact CZ2-CB 4.42Å; W187-E191 HydrophobicContact CZ2-CG 4.27Å; W187-E191 WeakPolarHBondContact O-CB 3.45Å; W187-E191 PolarHBondContact O-N 2.86Å; W187-Q194 WeakPolarHBondContact CH2-O 3.29Å; W187-P200 HydrophobicContact CH2-CB 4.39Å; W187-P200 HydrophobicContact CZ2-CB 3.82Å; W187-P200 HydrophobicContact CZ2-CG 4.5Å
188I98.7Very high98.7Very high45 Ų4559.1 Ų59.123%0.23131%0.313CS..G310 helixtrans-59.8-22.6-178.667.8169.3000114.1Y17 F19 H186 Q190 I203Y17-I188 HydrophobicContact CD2-CB 4.42Å; Y17-I188 HydrophobicContact CD2-CG2 3.84Å; Y17-I188 HydrophobicContact CE1-CG2 4.46Å; Y17-I188 HydrophobicContact CE2-CB 3.74Å; Y17-I188 HydrophobicContact CE2-CG2 3.61Å; Y17-I188 HydrophobicContact CG-CG2 4.35Å; F19-I188 HydrophobicContact CE2-CG2 3.66Å; F19-I188 HydrophobicContact CZ-CG2 3.52Å; H186-I188 PolarHBondContact O-N 2.76Å; I188-Q190 VanDerWaalsContact C-N 3.34Å; I188-I203 HydrophobicContact CG2-CD1 4.46Å
189W98.6Very high98.7Very high150 Ų15063 Ų6357%0.56832%0.316SS*.G310 helixtrans-84.7-14179.6-56110.4000112.3H186 W187H186-W189 WeakPolarHBondContact O-CB 3.22Å; H186-W189 VanDerWaalsContact O-CD1 3.26Å; H186-W189 PolarHBondContact O-N 3.25Å; W187-W189 PolarHBondContact O-N 3.39Å
190Q98.6Very high98.7Very high29 Ų2956.7 Ų56.714%0.13629%0.293CS..THydrogen-bonded Turntrans-117.7-22.4-177.6-79.868.582.700112.8N160 H186 W187 I188 N193 Q194N160-Q190 PolarHBondContact ND2-NE2 3.08Å; N160-Q190 PolarHBondContact ND2-OE1 2.85Å; H186-Q190 PolarHBondContact O-OE1 2.91Å; W187-Q190 HydrophobicContact CE3-CB 4.34Å; W187-Q190 HydrophobicContact CZ3-CB 4.32Å; W187-Q190 CarbonylContact O-C 3.52Å; W187-Q190 PolarHBondContact O-N 3.19Å; I188-Q190 VanDerWaalsContact C-N 3.34Å; Q190-N193 PolarHBondContact O-OD1 3.26Å; Q190-Q194 WeakPolarHBondContact O-CB 3.47Å; Q190-Q194 PolarHBondContact O-N 2.9Å
191E98.6Very high98.7Very high61 Ų6155.2 Ų55.229%0.28529%0.285SS..THydrogen-bonded Turntrans-56.6153.3-176.7-163.8-80.9135.800112.9K16 Y17 W187 N193K16-E191 WeakPolarHBondContact CE-OE2 3.35Å; K16-E191 IonicContact NZ-OE2 3.65Å; Y17-E191 HydrophobicContact CE1-CB 4.48Å; Y17-E191 HydrophobicContact CE1-CG 4.12Å; Y17-E191 PolarHBondContact OH-OE2 3.17Å; W187-E191 HydrophobicContact CD2-CB 4.44Å; W187-E191 HydrophobicContact CZ2-CB 4.42Å; W187-E191 HydrophobicContact CZ2-CG 4.27Å; W187-E191 WeakPolarHBondContact O-CB 3.45Å; W187-E191 PolarHBondContact O-N 2.86Å; E191-N193 VanDerWaalsContact C-N 3.25Å; E191-N193 PolarHBondContact O-N 2.87Å; E191-N193 VanDerWaalsContact O-N 3.12Å
192G98.4Very high98.7Very high65 Ų6560.7 Ų60.767%0.6731%0.31SS*.THydrogen-bonded Turntrans87.7-42.6173.500000113.8
193N98.4Very high98.7Very high129 Ų12959.1 Ų59.169%0.6930%0.295SS*.THydrogen-bonded Turntrans-118.2-4.4-178.169.81.8000115.2Q190 E191Q190-N193 PolarHBondContact O-OD1 3.26Å; E191-N193 VanDerWaalsContact C-N 3.25Å; E191-N193 PolarHBondContact O-N 2.87Å; E191-N193 VanDerWaalsContact O-N 3.12Å
194Q98.8Very high98.7Very high75 Ų7563.2 Ų63.235%0.3531%0.311SS..  trans-129.8138.5176.1-64.1165.289.200111F162 W187 Q190F162-Q194 HydrophobicContact CE1-CB 4.32Å; W187-Q194 WeakPolarHBondContact CH2-O 3.29Å; Q190-Q194 WeakPolarHBondContact O-CB 3.47Å; Q190-Q194 PolarHBondContact O-N 2.9Å
195R98.9Very high98.7Very high79 Ų7964.5 Ų64.530%0.29833%0.328SS..  trans-162.6150.9175.762.6-179.8-171.575.26110.3T197 P200 D221 Q224R195-T197 WeakPolarHBondContact CD-O 3.31Å; R195-T197 PolarHBondContact NH1-O 3.49Å; R195-P200 HydrophobicContact CB-CG 3.63Å; R195-D221 IonicContact CZ-OD2 3.63Å; R195-D221 VanDerWaalsContact CZ-OD2 3.24Å; R195-D221 IonicContact NH1-OD2 3.36Å; R195-D221 PolarHBondContact NH1-OD2 2.7Å; R195-D221 IonicContact NH2-OD2 2.73Å; R195-D221 PolarHBondContact NH2-OD2 3.04Å; R195-Q224 HydrophobicContact CG-CG 4.38Å; R195-Q224 WeakPolarHBondContact O-CB 3.5Å; R195-Q224 PolarHBondContact O-NE2 3.38Å
196L98.9Very high98.7Very high22 Ų2264.2 Ų64.212%0.11533%0.332CS..SBendtrans-116.2-10.2168.8-59.5-176.1000112.6F162 D163 I164 D221 V225 A228F162-L196 HydrophobicContact CB-CD1 3.66Å; F162-L196 HydrophobicContact CB-CG 3.9Å; F162-L196 HydrophobicContact CD1-CD1 3.97Å; F162-L196 HydrophobicContact CD1-CD2 4.16Å; F162-L196 HydrophobicContact CD1-CG 3.59Å; F162-L196 HydrophobicContact CD2-CD1 3.58Å; F162-L196 HydrophobicContact CD2-CG 4.17Å; F162-L196 HydrophobicContact CE1-CD1 4.49Å; F162-L196 HydrophobicContact CE1-CD2 4.15Å; F162-L196 HydrophobicContact CE1-CG 4.09Å; F162-L196 HydrophobicContact CE2-CD1 4.16Å; F162-L196 HydrophobicContact CG-CD1 3.46Å; F162-L196 VanDerWaalsContact CG-CD1 3.46Å; F162-L196 HydrophobicContact CG-CD2 4.48Å; F162-L196 HydrophobicContact CG-CG 3.62Å; F162-L196 HydrophobicContact CZ-CD2 4.47Å; D163-L196 WeakPolarHBondContact OD1-CB 3.31Å; D163-L196 PolarHBondContact OD1-N 3.09Å; D163-L196 PolarHBondContact OD2-N 3.48Å; I164-L196 HydrophobicContact CD1-CB 4.21Å; I164-L196 HydrophobicContact CD1-CD1 4.35Å; I164-L196 HydrophobicContact CG1-CB 4.47Å; L196-D221 PolarHBondContact O-N 2.65Å; L196-V225 HydrophobicContact CB-CG2 4.28Å; L196-V225 HydrophobicContact CD2-CG2 4.34Å; L196-A228 HydrophobicContact CD2-CB 3.92Å
197T98.9Very high98.7Very high1 Ų166.6 Ų66.61%0.00635%0.346CS..BIsolated β-bridgetrans-108.2161.617476.30000110.3D163 I164 R195 V218 E219D163-T197 WeakPolarHBondContact OD2-CA 3.47Å; D163-T197 VanDerWaalsContact OD2-CB 3.23Å; D163-T197 WeakPolarHBondContact OD2-CB 3.03Å; D163-T197 WeakPolarHBondContact OD2-CG2 3.26Å; D163-T197 PolarHBondContact OD2-N 2.97Å; D163-T197 PolarHBondContact OD2-OG1 3.38Å; I164-T197 HydrophobicContact CG1-CG2 3.78Å; R195-T197 WeakPolarHBondContact CD-O 3.31Å; R195-T197 PolarHBondContact NH1-O 3.49Å; T197-V218 HydrophobicContact CG2-CB 3.89Å; T197-V218 HydrophobicContact CG2-CG1 4.27Å; T197-V218 HydrophobicContact CG2-CG2 4.28Å; T197-E219 CarbonylContact C-O 3.49Å; T197-E219 VanDerWaalsContact CA-O 3.23Å; T197-E219 WeakPolarHBondContact CA-O 3.27Å; T197-E219 VanDerWaalsContact CB-O 3.29Å; T197-E219 WeakPolarHBondContact CB-O 3.41Å
198K98.7Very high98.7Very high101 Ų10168.4 Ų68.444%0.43936%0.358SS..SBendtrans-65.6-38.8179.5-66.2-171.1-179.6178.60112.6E219 D221K198-E219 HydrophobicContact CD-CB 4.33Å; K198-E219 HydrophobicContact CD-CG 4Å; K198-E219 VanDerWaalsContact CE-OE1 3.23Å; K198-E219 WeakPolarHBondContact CE-OE1 3.49Å; K198-E219 HydrophobicContact CG-CB 4.48Å; K198-E219 HydrophobicContact CG-CG 4.47Å; K198-E219 PolarHBondContact N-O 2.87Å; K198-E219 VanDerWaalsContact NZ-CD 3.31Å; K198-E219 IonicContact NZ-OE1 3.6Å; K198-E219 PolarHBondContact NZ-OE1 3.43Å; K198-E219 IonicContact NZ-OE2 2.66Å; K198-D221 HydrophobicContact CG-CB 4.12Å
199E98.6Very high98.7Very high137 Ų13773.4 Ų73.464%0.6438%0.38SS*.SBendtrans-135.387.5-175.6-62.3178.9-79.300109.1K213E199-K213 IonicContact OE1-NZ 2.62Å
200P98.8Very high98.7Very high39 Ų3969.7 Ų69.725%0.25337%0.374SS..  trans-57.7146.1176.1-22.632.5000111.6D163 W187 R195D163-P200 HydrophobicContact CB-CB 3.89Å; D163-P200 HydrophobicContact CB-CG 4.39Å; D163-P200 WeakPolarHBondContact OD2-CG 3.47Å; W187-P200 HydrophobicContact CH2-CB 4.39Å; W187-P200 HydrophobicContact CZ2-CB 3.82Å; W187-P200 HydrophobicContact CZ2-CG 4.5Å; R195-P200 HydrophobicContact CB-CG 3.63Å
201F98.7Very high98.7Very high24 Ų2469.7 Ų69.711%0.10538%0.377CS..  trans-64.2143.6170.3-67-0.4000110.5L166 A167 T170 V208 P211 L216 V218L166-F201 HydrophobicContact CD2-CB 3.89Å; L166-F201 WeakPolarHBondContact CD2-O 3.37Å; L166-F201 HydrophobicContact CG-CB 4.26Å; A167-F201 HydrophobicContact CB-CD2 4.37Å; A167-F201 HydrophobicContact CB-CE2 3.75Å; A167-F201 HydrophobicContact CB-CZ 3.88Å; T170-F201 HydrophobicContact CG2-CD2 4.2Å; T170-F201 HydrophobicContact CG2-CE2 4.16Å; F201-V208 HydrophobicContact CB-CG1 3.85Å; F201-V208 HydrophobicContact CD2-CG1 3.85Å; F201-V208 HydrophobicContact CG-CG1 4.26Å; F201-P211 HydrophobicContact CE1-CG 4.11Å; F201-P211 HydrophobicContact CE2-CG 4.09Å; F201-P211 HydrophobicContact CZ-CB 4.31Å; F201-P211 HydrophobicContact CZ-CG 3.48Å; F201-P211 VanDerWaalsContact CZ-CG 3.48Å; F201-L216 WeakPolarHBondContact CZ-O 3.37Å; F201-V218 HydrophobicContact CE1-CG1 3.87Å; F201-V218 HydrophobicContact CZ-CG1 4.04Å
202E98.7Very high98.6Very high119 Ų11976.5 Ų76.556%0.55641%0.408SS*.  trans-104.3141-176.8-61.1178.3-85.500110.9K204E202-K204 HydrophobicContact CB-CD 4.42Å; E202-K204 HydrophobicContact CB-CG 4.37Å; E202-K204 VanDerWaalsContact CD-CE 3.45Å; E202-K204 IonicContact OE1-NZ 3.28Å; E202-K204 PolarHBondContact OE1-NZ 3.24Å; E202-K204 WeakPolarHBondContact OE2-CE 3.36Å; E202-K204 IonicContact OE2-NZ 3.24Å; E202-K204 PolarHBondContact OE2-NZ 3.09Å
203I98.9Very high98.5Very high13 Ų1379.4 Ų79.47%0.06740%0.402CS..  trans-93.4114.9168.5-55.1172.8000107.7Y17 F19 T185 I188 L207 V208Y17-I203 HydrophobicContact CD1-CB 4.16Å; F19-I203 HydrophobicContact CE1-CD1 4.3Å; F19-I203 HydrophobicContact CE1-CG2 3.77Å; F19-I203 HydrophobicContact CZ-CD1 4.05Å; F19-I203 HydrophobicContact CZ-CG2 4.07Å; T185-I203 HydrophobicContact CG2-CD1 4.21Å; I188-I203 HydrophobicContact CG2-CD1 4.46Å; I203-L207 WeakPolarHBondContact CA-O 3.3Å; I203-V208 HydrophobicContact CB-CG2 4.46Å; I203-V208 HydrophobicContact CG1-CG2 3.69Å
204K98.8Very high98.5Very high126 Ų12679.1 Ų79.155%0.54841%0.408SS..BIsolated β-bridgetrans-132.3125.6178.7-69.2175.3177.4160.90109.6Y17 E202 G206 L207Y17-K204 CarbonylContact O-C 3.53Å; E202-K204 HydrophobicContact CB-CD 4.42Å; E202-K204 HydrophobicContact CB-CG 4.37Å; E202-K204 VanDerWaalsContact CD-CE 3.45Å; E202-K204 IonicContact OE1-NZ 3.28Å; E202-K204 PolarHBondContact OE1-NZ 3.24Å; E202-K204 WeakPolarHBondContact OE2-CE 3.36Å; E202-K204 IonicContact OE2-NZ 3.24Å; E202-K204 PolarHBondContact OE2-NZ 3.09Å; K204-G206 PolarHBondContact O-N 2.92Å; K204-L207 PolarHBondContact N-O 2.97Å; K204-L207 PolarHBondContact O-N 3.37Å; K204-L207 VanDerWaalsContact O-N 3.13Å
205G98.5Very high98.5Very high44 Ų4478.6 Ų78.645%0.45442%0.423SS..THydrogen-bonded Turntrans6229.6-174.700000113Y17 G18 L207Y17-G205 PolarHBondContact O-N 3.36Å; G18-G205 CarbonylContact O-C 3.32Å; G205-L207 PolarHBondContact O-N 3.44Å
206G98.6Very high98.5Very high27 Ų2777.6 Ų77.628%0.27842%0.423SS..THydrogen-bonded Turntrans71.813.6-176.200000114.1Y17 G18 K204Y17-G206 PolarHBondContact O-N 3.38Å; G18-G206 PolarHBondContact O-N 3.44Å; K204-G206 PolarHBondContact O-N 2.92Å
207L98.8Very high98.5Very high108 Ų10877.2 Ų77.257%0.56542%0.424SS*.BIsolated β-bridgetrans-124.1146.6-175.7-62.1169.6000111I203 K204 G205I203-L207 WeakPolarHBondContact CA-O 3.3Å; K204-L207 PolarHBondContact N-O 2.97Å; K204-L207 PolarHBondContact O-N 3.37Å; K204-L207 VanDerWaalsContact O-N 3.13Å; G205-L207 PolarHBondContact O-N 3.44Å
208V98.8Very high98.5Very high43 Ų4379.4 Ų79.426%0.26144%0.438SS..  trans-112.5128.9167.9-179.70000107.8T170 F201 I203T170-V208 HydrophobicContact CG2-CG1 3.92Å; F201-V208 HydrophobicContact CB-CG1 3.85Å; F201-V208 HydrophobicContact CD2-CG1 3.85Å; F201-V208 HydrophobicContact CG-CG1 4.26Å; I203-V208 HydrophobicContact CB-CG2 4.46Å; I203-V208 HydrophobicContact CG1-CG2 3.69Å
209Q98.6Very high98.5Very high150 Ų15079.9 Ų79.970%0.70144%0.441SS*.PPolyproline II helixtrans-79.3134.4176.8-63.3-61.1-40.600110.1
210V98.6Very high98.5Very high71 Ų7177.4 Ų77.443%0.4343%0.431SS..PPolyproline II helixtrans-73.5122.7172-174.50000107.6T170 A174T170-V210 HydrophobicContact CG2-CG2 4.28Å; A174-V210 HydrophobicContact CB-CG1 4.19Å; A174-V210 HydrophobicContact CB-CG2 3.54Å
211P97.9Very high98.5Very high30 Ų3076.6 Ų76.620%0.19543%0.425CS..PPolyproline II helixtrans-67.7144.3-179.731.7-39.4000110.9F201 K213F201-P211 HydrophobicContact CE1-CG 4.11Å; F201-P211 HydrophobicContact CE2-CG 4.09Å; F201-P211 HydrophobicContact CZ-CB 4.31Å; F201-P211 HydrophobicContact CZ-CG 3.48Å; F201-P211 VanDerWaalsContact CZ-CG 3.48Å; P211-K213 HydrophobicContact CB-CB 4.5Å; P211-K213 PolarHBondContact O-N 3.09Å
212E97.9Very high98.5Very high204 Ų20479.8 Ų79.895%0.95344%0.442SS*.SBendtrans-80-1.2171.8-60.9-172.6165.800112.9
213K97Very high98.5Very high125 Ų12579.9 Ų79.954%0.54345%0.446SS..SBendtrans-72.4147.1176.1-65.9179-176.5173.90110.4E199 P211E199-K213 IonicContact OE1-NZ 2.62Å; P211-K213 HydrophobicContact CB-CB 4.5Å; P211-K213 PolarHBondContact O-N 3.09Å
214P98.2Very high98.5Very high123 Ų12381.2 Ų81.280%0.79945%0.452SS*.SBendtrans-66.1160.9177.528.7-35.8000112.9G217P214-G217 PolarHBondContact O-N 3.33Å
215G98.4Very high98.5Very high65 Ų6576.8 Ų76.867%0.6744%0.435SS*.THydrogen-bonded Turntrans66.4-143.5-178.600000111.8H171 G217H171-G215 PolarHBondContact CE1-O 2.96Å; G215-G217 PolarHBondContact O-N 3.4Å
216L98.6Very high98.5Very high58 Ų5878.9 Ų78.930%0.30443%0.434SS..THydrogen-bonded Turntrans-72.2-12.7174.4-72.7178.5000113.1M137 A167 M168 H171 F201 V218M137-L216 HydrophobicContact CE-CD2 4.39Å; A167-L216 HydrophobicContact CB-CB 4.46Å; M168-L216 HydrophobicContact CG-CD1 4.2Å; M168-L216 HydrophobicContact CG-CD2 4.39Å; H171-L216 PolarHBondContact NE2-O 2.94Å; F201-L216 WeakPolarHBondContact CZ-O 3.37Å; L216-V218 VanDerWaalsContact C-N 3.29Å; L216-V218 HydrophobicContact CB-CG2 3.97Å; L216-V218 PolarHBondContact O-N 3.5Å
217G98.6Very high98.6Very high14 Ų1483.3 Ų83.314%0.14445%0.446CS..SBendtrans71.719.4-177.400000114.7P214 G215P214-G217 PolarHBondContact O-N 3.33Å; G215-G217 PolarHBondContact O-N 3.4Å
218V98.6Very high98.5Very high47 Ų4779.8 Ų79.829%0.28543%0.432SS..  trans-116.3152.3177.9-60.90000111.8A167 T197 F201 L216A167-V218 HydrophobicContact CB-CG1 3.63Å; T197-V218 HydrophobicContact CG2-CB 3.89Å; T197-V218 HydrophobicContact CG2-CG1 4.27Å; T197-V218 HydrophobicContact CG2-CG2 4.28Å; F201-V218 HydrophobicContact CE1-CG1 3.87Å; F201-V218 HydrophobicContact CZ-CG1 4.04Å; L216-V218 VanDerWaalsContact C-N 3.29Å; L216-V218 HydrophobicContact CB-CG2 3.97Å; L216-V218 PolarHBondContact O-N 3.5Å
219E98.8Very high98.6Very high111 Ų11182.2 Ų82.252%0.51944%0.441SS..  trans-118.2122.6169.6-170.8180169.600109.2T197 K198T197-E219 CarbonylContact C-O 3.49Å; T197-E219 VanDerWaalsContact CA-O 3.23Å; T197-E219 WeakPolarHBondContact CA-O 3.27Å; T197-E219 VanDerWaalsContact CB-O 3.29Å; T197-E219 WeakPolarHBondContact CB-O 3.41Å; K198-E219 HydrophobicContact CD-CB 4.33Å; K198-E219 HydrophobicContact CD-CG 4Å; K198-E219 VanDerWaalsContact CE-OE1 3.23Å; K198-E219 WeakPolarHBondContact CE-OE1 3.49Å; K198-E219 HydrophobicContact CG-CB 4.48Å; K198-E219 HydrophobicContact CG-CG 4.47Å; K198-E219 PolarHBondContact N-O 2.87Å; K198-E219 VanDerWaalsContact NZ-CD 3.31Å; K198-E219 IonicContact NZ-OE1 3.6Å; K198-E219 PolarHBondContact NZ-OE1 3.43Å; K198-E219 IonicContact NZ-OE2 2.66Å
220I98.8Very high98.6Very high84 Ų8481.1 Ų81.143%0.43144%0.436SS..BIsolated β-bridgetrans-67.2139.7-178.2-160.1165.6000111I164 M222 V225I164-I220 HydrophobicContact CD1-CD1 4.49Å; I220-M222 HydrophobicContact CD1-SD 3.95Å; I220-M222 HydrophobicContact CG1-SD 4.16Å; I220-M222 HydrophobicContact CG2-CG 4.24Å; I220-M222 HydrophobicContact CG2-SD 3.99Å; I220-V225 HydrophobicContact CD1-CG2 3.87Å; I220-V225 HydrophobicContact CG1-CG2 3.78Å
221D98.9Very high98.6Very high22 Ų2282.3 Ų82.312%0.11844%0.439CS..  trans-103.298.9170.6-174.9-34.6000108.4R195 L196 K198 D223 Q224 V225R195-D221 IonicContact CZ-OD2 3.63Å; R195-D221 VanDerWaalsContact CZ-OD2 3.24Å; R195-D221 IonicContact NH1-OD2 3.36Å; R195-D221 PolarHBondContact NH1-OD2 2.7Å; R195-D221 IonicContact NH2-OD2 2.73Å; R195-D221 PolarHBondContact NH2-OD2 3.04Å; L196-D221 PolarHBondContact O-N 2.65Å; K198-D221 HydrophobicContact CG-CB 4.12Å; D221-D223 VanDerWaalsContact C-N 3.27Å; D221-D223 PolarHBondContact O-N 2.85Å; D221-D223 PolarHBondContact OD1-N 3.47Å; D221-D223 VanDerWaalsContact OD1-N 3.12Å; D221-Q224 HydrophobicContact CB-CB 4.05Å; D221-Q224 HydrophobicContact CB-CG 4.05Å; D221-Q224 VanDerWaalsContact CG-CG 3.49Å; D221-Q224 WeakPolarHBondContact O-CB 3.46Å; D221-Q224 PolarHBondContact O-N 3.18Å; D221-Q224 PolarHBondContact OD1-N 3.49Å; D221-Q224 VanDerWaalsContact OD1-N 3.08Å; D221-V225 WeakPolarHBondContact O-CG2 3.28Å; D221-V225 PolarHBondContact O-N 3.04Å
222M98.8Very high98.6Very high92 Ų9286.2 Ų86.245%0.45345%0.451SS..Hα-helixtrans-65.7-28.5-175.3-71.1-55.1-57.600113.2I220 Q224 V225 M226I220-M222 HydrophobicContact CD1-SD 3.95Å; I220-M222 HydrophobicContact CG1-SD 4.16Å; I220-M222 HydrophobicContact CG2-CG 4.24Å; I220-M222 HydrophobicContact CG2-SD 3.99Å; M222-Q224 VanDerWaalsContact C-N 3.33Å; M222-V225 HydrophobicContact CE-CB 4.47Å; M222-V225 HydrophobicContact CE-CG1 4.32Å; M222-V225 PolarHBondContact O-N 3.24Å; M222-M226 HydrophobicContact CE-CE 3.36Å; M222-M226 WeakPolarHBondContact O-CB 3.4Å; M222-M226 VanDerWaalsContact O-CG 3.25Å; M222-M226 WeakPolarHBondContact O-CG 3.49Å; M222-M226 PolarHBondContact O-N 3.36Å
223D98.8Very high98.7Very high121 Ų12182 Ų8265%0.64743%0.431SS*.Hα-helixtrans-67-40.5175.6-67.8-23.6000110.1D221 M226 K227D221-D223 VanDerWaalsContact C-N 3.27Å; D221-D223 PolarHBondContact O-N 2.85Å; D221-D223 PolarHBondContact OD1-N 3.47Å; D221-D223 VanDerWaalsContact OD1-N 3.12Å; D223-M226 PolarHBondContact O-N 3.48Å; D223-K227 VanDerWaalsContact O-CG 3.27Å; D223-K227 WeakPolarHBondContact O-CG 3.41Å; D223-K227 PolarHBondContact O-N 3.18Å
224Q98.9Very high98.7Very high40 Ų4084 Ų8419%0.18744%0.44CS..Hα-helixtrans-67.7-40.1175-69.1-67.211100112.6R195 D221 M222 M226 K227 A228R195-Q224 HydrophobicContact CG-CG 4.38Å; R195-Q224 WeakPolarHBondContact O-CB 3.5Å; R195-Q224 PolarHBondContact O-NE2 3.38Å; D221-Q224 HydrophobicContact CB-CB 4.05Å; D221-Q224 HydrophobicContact CB-CG 4.05Å; D221-Q224 VanDerWaalsContact CG-CG 3.49Å; D221-Q224 WeakPolarHBondContact O-CB 3.46Å; D221-Q224 PolarHBondContact O-N 3.18Å; D221-Q224 PolarHBondContact OD1-N 3.49Å; D221-Q224 VanDerWaalsContact OD1-N 3.08Å; M222-Q224 VanDerWaalsContact C-N 3.33Å; Q224-M226 VanDerWaalsContact C-N 3.35Å; Q224-K227 PolarHBondContact O-N 3.1Å; Q224-A228 PolarHBondContact O-N 2.89Å
225V98.9Very high98.7Very high34 Ų3483.4 Ų83.421%0.20643%0.426CS..Hα-helixtrans-59.5-46.5173.5172.60000110.9L196 I220 D221 M222 A228 H229L196-V225 HydrophobicContact CB-CG2 4.28Å; L196-V225 HydrophobicContact CD2-CG2 4.34Å; I220-V225 HydrophobicContact CD1-CG2 3.87Å; I220-V225 HydrophobicContact CG1-CG2 3.78Å; D221-V225 WeakPolarHBondContact O-CG2 3.28Å; D221-V225 PolarHBondContact O-N 3.04Å; M222-V225 HydrophobicContact CE-CB 4.47Å; M222-V225 HydrophobicContact CE-CG1 4.32Å; M222-V225 PolarHBondContact O-N 3.24Å; V225-A228 PolarHBondContact O-N 3.1Å; V225-H229 WeakPolarHBondContact O-CB 3.42Å; V225-H229 PolarHBondContact O-N 3.05Å
226M98.9Very high98.7Very high88 Ų8883.6 Ų83.643%0.43343%0.428SS..Hα-helixtrans-66.8-39.2-179.7-68.2-58.7141.900112M222 D223 Q224 A228 H229 E230M222-M226 HydrophobicContact CE-CE 3.36Å; M222-M226 WeakPolarHBondContact O-CB 3.4Å; M222-M226 VanDerWaalsContact O-CG 3.25Å; M222-M226 WeakPolarHBondContact O-CG 3.49Å; M222-M226 PolarHBondContact O-N 3.36Å; D223-M226 PolarHBondContact O-N 3.48Å; Q224-M226 VanDerWaalsContact C-N 3.35Å; M226-A228 PolarHBondContact O-N 2.63Å; M226-H229 WeakPolarHBondContact O-CB 3.46Å; M226-H229 PolarHBondContact O-N 3.18Å; M226-E230 WeakPolarHBondContact O-CB 3.31Å; M226-E230 WeakPolarHBondContact O-CG 3.07Å; M226-E230 PolarHBondContact O-N 3.38Å
227K98.9Very high98.7Very high119 Ų11985 Ų8552%0.51744%0.435SS..Hα-helixtrans-59.9-44.4172.1-72.1171.1-166.4169.60112.7D223 Q224 H229 E230 L231D223-K227 VanDerWaalsContact O-CG 3.27Å; D223-K227 WeakPolarHBondContact O-CG 3.41Å; D223-K227 PolarHBondContact O-N 3.18Å; Q224-K227 PolarHBondContact O-N 3.1Å; K227-H229 VanDerWaalsContact C-N 3.31Å; K227-E230 PolarHBondContact O-N 3.22Å; K227-L231 PolarHBondContact O-N 2.89Å
228A98.8Very high98.7Very high34 Ų3487 Ų8728%0.28146%0.456SS..Hα-helixtrans-65.9-37177.300000111.6L196 Q224 V225 M226 L231 Y232L196-A228 HydrophobicContact CD2-CB 3.92Å; Q224-A228 PolarHBondContact O-N 2.89Å; V225-A228 PolarHBondContact O-N 3.1Å; M226-A228 PolarHBondContact O-N 2.63Å; A228-L231 PolarHBondContact O-N 3.41Å; A228-Y232 PolarHBondContact O-N 3.02Å; A228-Y232 VanDerWaalsContact O-N 3.07Å
229H98.8Very high98.7Very high95 Ų9589.6 Ų89.644%0.4448%0.482SS..Hα-helixtrans-65-45.3174.1179.467.6000112.2V225 M226 K227 L231 Y232 Q233V225-H229 WeakPolarHBondContact O-CB 3.42Å; V225-H229 PolarHBondContact O-N 3.05Å; M226-H229 WeakPolarHBondContact O-CB 3.46Å; M226-H229 PolarHBondContact O-N 3.18Å; K227-H229 VanDerWaalsContact C-N 3.31Å; H229-L231 VanDerWaalsContact C-N 3.28Å; H229-L231 PolarHBondContact O-N 2.93Å; H229-Y232 WeakPolarHBondContact O-CB 3.47Å; H229-Y232 PolarHBondContact O-N 3.47Å; H229-Y232 VanDerWaalsContact O-N 3.14Å; H229-Q233 WeakPolarHBondContact O-CG 3.33Å; H229-Q233 PolarHBondContact O-N 3Å
230E98.8Very high98.7Very high127 Ų12792.5 Ų92.559%0.59349%0.489SS*.Hα-helixtrans-59.2-39.9174.9-75171.2-169.100111.6M226 K227 Q233 K234M226-E230 WeakPolarHBondContact O-CB 3.31Å; M226-E230 WeakPolarHBondContact O-CG 3.07Å; M226-E230 PolarHBondContact O-N 3.38Å; K227-E230 PolarHBondContact O-N 3.22Å; E230-Q233 PolarHBondContact O-N 3.36Å; E230-K234 WeakPolarHBondContact O-CB 3.47Å; E230-K234 PolarHBondContact O-N 3.28Å
231L98.8Very high98.6Very high95 Ų9593.6 Ų93.650%0.49750%0.495SS..Hα-helixtrans-61.6-44.8174.6-17470.8000111.6K227 A228 H229 Q233 K234 H235K227-L231 PolarHBondContact O-N 2.89Å; A228-L231 PolarHBondContact O-N 3.41Å; H229-L231 VanDerWaalsContact C-N 3.28Å; H229-L231 PolarHBondContact O-N 2.93Å; L231-Q233 PolarHBondContact O-N 2.93Å; L231-K234 PolarHBondContact O-N 3.19Å; L231-H235 PolarHBondContact O-CD2 2.75Å; L231-H235 PolarHBondContact O-N 2.7Å
232Y98.8Very high98.6Very high113 Ų11396.7 Ų96.744%0.44351%0.512SS..Hα-helixtrans-58.3-47.2175.6176.1-87.8000111.7A228 H229 G236 L237A228-Y232 PolarHBondContact O-N 3.02Å; A228-Y232 VanDerWaalsContact O-N 3.07Å; H229-Y232 WeakPolarHBondContact O-CB 3.47Å; H229-Y232 PolarHBondContact O-N 3.47Å; H229-Y232 VanDerWaalsContact O-N 3.14Å; Y232-G236 PolarHBondContact O-N 3.4Å; Y232-L237 HydrophobicContact CD2-CB 3.65Å; Y232-L237 HydrophobicContact CD2-CD1 4.5Å; Y232-L237 HydrophobicContact CE2-CB 3.87Å; Y232-L237 VanDerWaalsContact CE2-O 3.28Å; Y232-L237 WeakPolarHBondContact CE2-O 3.44Å; Y232-L237 HydrophobicContact CG-CB 4.32Å; Y232-L237 PolarHBondContact O-N 2.69Å; Y232-L237 VanDerWaalsContact O-N 3.12Å; Y232-L237 PolarHBondContact OH-O 3.1Å; Y232-L237 VanDerWaalsContact OH-O 3.09Å
233Q98.7Very high98.6Very high116 Ų11693.7 Ų93.754%0.54250%0.501SS..Hα-helixtrans-65.2-47.6178.4-66.5-64.3-49.200111.9H229 E230 L231 H235 G236H229-Q233 WeakPolarHBondContact O-CG 3.33Å; H229-Q233 PolarHBondContact O-N 3Å; E230-Q233 PolarHBondContact O-N 3.36Å; L231-Q233 PolarHBondContact O-N 2.93Å; Q233-H235 VanDerWaalsContact C-N 3.26Å; Q233-H235 PolarHBondContact O-N 2.75Å; Q233-G236 PolarHBondContact O-N 3.14Å; Q233-G236 VanDerWaalsContact O-N 3.12Å
234K98.7Very high98.6Very high166 Ų16693.9 Ų93.972%0.72250%0.5SS*.Hα-helixtrans-57.1-38.9-175.7177.3-178.8176.4-175.80112.8E230 L231E230-K234 WeakPolarHBondContact O-CB 3.47Å; E230-K234 PolarHBondContact O-N 3.28Å; L231-K234 PolarHBondContact O-N 3.19Å
235H98.4Very high98.6Very high111 Ų11193.9 Ų93.951%0.51451%0.511SS..THydrogen-bonded Turntrans-972.2-176.9-69.7-79.1000113.4L231 Q233 L237L231-H235 PolarHBondContact O-CD2 2.75Å; L231-H235 PolarHBondContact O-N 2.7Å; Q233-H235 VanDerWaalsContact C-N 3.26Å; Q233-H235 PolarHBondContact O-N 2.75Å; H235-L237 HydrophobicContact CB-CD1 4.49Å; H235-L237 HydrophobicContact CB-CD2 3.56Å; H235-L237 HydrophobicContact CB-CG 3.77Å; H235-L237 PolarHBondContact O-N 2.87Å
236G98Very high98.6Very high68 Ų6893.3 Ų93.370%0.70151%0.506SS*.THydrogen-bonded Turntrans5639.1-176.600000111.9Y232 Q233Y232-G236 PolarHBondContact O-N 3.4Å; Q233-G236 PolarHBondContact O-N 3.14Å; Q233-G236 VanDerWaalsContact O-N 3.12Å
237L98.5Very high98.5Very high87 Ų8792.6 Ų92.646%0.45550%0.502SS..  trans-66.6156-175.3-58.2-175.8000110.9Y232 H235Y232-L237 HydrophobicContact CD2-CB 3.65Å; Y232-L237 HydrophobicContact CD2-CD1 4.5Å; Y232-L237 HydrophobicContact CE2-CB 3.87Å; Y232-L237 VanDerWaalsContact CE2-O 3.28Å; Y232-L237 WeakPolarHBondContact CE2-O 3.44Å; Y232-L237 HydrophobicContact CG-CB 4.32Å; Y232-L237 PolarHBondContact O-N 2.69Å; Y232-L237 VanDerWaalsContact O-N 3.12Å; Y232-L237 PolarHBondContact OH-O 3.1Å; Y232-L237 VanDerWaalsContact OH-O 3.09Å; H235-L237 HydrophobicContact CB-CD1 4.49Å; H235-L237 HydrophobicContact CB-CD2 3.56Å; H235-L237 HydrophobicContact CB-CG 3.77Å; H235-L237 PolarHBondContact O-N 2.87Å
238G98Very high98.5Very high57 Ų5795.9 Ų95.959%0.58851%0.513SS*.  trans-147.2-144.7-177.500000112
239A98.3Very high98.5Very high102 Ų10299.8 Ų99.884%0.84353%0.528SS*.SBendtrans-65.4154.1171.100000111
240R98.3Very high98.5Very high172 Ų17297.2 Ų97.265%0.64952%0.517SS*.  trans-61.2134.2178.1177.1-179.9176.2-179.7-1.1111.2N159 D242N159-R240 PolarHBondContact OD1-NH1 3.26Å; R240-D242 WeakPolarHBondContact CG-OD1 3.24Å; R240-D242 IonicContact CZ-OD1 2.63Å; R240-D242 IonicContact CZ-OD2 2.71Å; R240-D242 VanDerWaalsContact NE-CG 3.33Å; R240-D242 IonicContact NE-OD1 3.77Å; R240-D242 PolarHBondContact NE-OD1 2.63Å; R240-D242 IonicContact NE-OD2 3.9Å; R240-D242 PolarHBondContact NE-OD2 3.45Å; R240-D242 IonicContact NH2-OD1 3.18Å; R240-D242 IonicContact NH2-OD2 2.76Å; R240-D242 PolarHBondContact NH2-OD2 3.49Å
241D98.6Very high98.5Very high106 Ų10696.8 Ų96.857%0.56753%0.525SS*.  trans-138.3100.8168.1179.67.9000110.1A243D241-A243 VanDerWaalsContact C-N 3.28Å; D241-A243 PolarHBondContact O-N 2.87Å; D241-A243 WeakPolarHBondContact OD1-CB 3.3Å; D241-A243 PolarHBondContact OD1-N 3.06Å
242D98.5Very high98.5Very high87 Ų8795.2 Ų95.247%0.46553%0.532SS..Hα-helixtrans-76.1-18.1179.3-72.917.3000112.5R240 M244 G245 M246R240-D242 WeakPolarHBondContact CG-OD1 3.24Å; R240-D242 IonicContact CZ-OD1 2.63Å; R240-D242 IonicContact CZ-OD2 2.71Å; R240-D242 VanDerWaalsContact NE-CG 3.33Å; R240-D242 IonicContact NE-OD1 3.77Å; R240-D242 PolarHBondContact NE-OD1 2.63Å; R240-D242 IonicContact NE-OD2 3.9Å; R240-D242 PolarHBondContact NE-OD2 3.45Å; R240-D242 IonicContact NH2-OD1 3.18Å; R240-D242 IonicContact NH2-OD2 2.76Å; R240-D242 PolarHBondContact NH2-OD2 3.49Å; D242-M244 PolarHBondContact O-N 2.88Å; D242-G245 PolarHBondContact O-N 3.24Å; D242-M246 PolarHBondContact O-N 3.34Å
243A98.6Very high98.5Very high29 Ų2990.8 Ų90.824%0.2452%0.515CS..Hα-helixtrans-67.4-29.2179.900000111.7D241 M246 Q247 W253D241-A243 VanDerWaalsContact C-N 3.28Å; D241-A243 PolarHBondContact O-N 2.87Å; D241-A243 WeakPolarHBondContact OD1-CB 3.3Å; D241-A243 PolarHBondContact OD1-N 3.06Å; A243-M246 PolarHBondContact O-N 2.92Å; A243-Q247 WeakPolarHBondContact O-CG 3.45Å; A243-Q247 PolarHBondContact O-N 3.39Å; A243-Q247 PolarHBondContact O-NE2 2.9Å; A243-W253 HydrophobicContact CB-CE3 3.88Å; A243-W253 HydrophobicContact CB-CZ3 3.6Å
244M98.5Very high98.5Very high125 Ų12590 Ų9062%0.61652%0.517SS*.Hα-helixtrans-58.8-48.6177.1-173.8-161.7179.300111.6D242 M246 Q247D242-M244 PolarHBondContact O-N 2.88Å; M244-M246 VanDerWaalsContact C-N 3.32Å; M244-M246 PolarHBondContact O-N 3.01Å; M244-Q247 PolarHBondContact O-N 3.06Å
245G98.4Very high98.5Very high41 Ų4189.4 Ų89.442%0.42352%0.515SS..Hα-helixtrans-65.9-34.9179.500000112.7D242 Q247 Y248D242-G245 PolarHBondContact O-N 3.24Å; G245-Q247 PolarHBondContact O-N 2.92Å; G245-Y248 WeakPolarHBondContact O-CD2 3.5Å; G245-Y248 PolarHBondContact O-N 3.44Å
246M98.7Very high98.5Very high21 Ų2187 Ų8710%0.10351%0.506CS..Hα-helixtrans-64.3-24.9179.7-69.8-58.1-55.700113.6D242 A243 M244 Y248 L249 I250 W253 C261 M262D242-M246 PolarHBondContact O-N 3.34Å; A243-M246 PolarHBondContact O-N 2.92Å; M244-M246 VanDerWaalsContact C-N 3.32Å; M244-M246 PolarHBondContact O-N 3.01Å; M246-Y248 PolarHBondContact O-N 3.21Å; M246-L249 PolarHBondContact O-N 3.11Å; M246-L249 HydrophobicContact SD-CD1 4.4Å; M246-I250 HydrophobicContact CE-CD1 4.36Å; M246-I250 PolarHBondContact O-N 3.39Å; M246-W253 HydrophobicContact CB-CB 3.95Å; M246-W253 HydrophobicContact CB-CD2 3.49Å; M246-W253 VanDerWaalsContact CB-CD2 3.49Å; M246-W253 HydrophobicContact CB-CE3 3.68Å; M246-W253 HydrophobicContact CB-CG 3.64Å; M246-W253 HydrophobicContact CB-CZ3 4.36Å; M246-W253 HydrophobicContact CE-CD2 4.4Å; M246-W253 HydrophobicContact CE-CG 4.24Å; M246-W253 HydrophobicContact CG-CD2 3.77Å; M246-W253 HydrophobicContact CG-CE3 3.95Å; M246-W253 HydrophobicContact CG-CG 4.28Å; M246-W253 HydrophobicContact CG-CH2 4.22Å; M246-W253 HydrophobicContact CG-CZ2 4.04Å; M246-W253 HydrophobicContact CG-CZ3 4.18Å; M246-C261 HydrophobicContact CE-CB 4.36Å; M246-M262 HydrophobicContact CE-CE 3.38Å; M246-M262 HydrophobicContact CE-SD 3.79Å; M246-M262 HydrophobicContact SD-CE 3.83Å
247Q98.6Very high98.5Very high73 Ų7388.6 Ų88.634%0.34150%0.499SS..THydrogen-bonded Turntrans-61.4-26.2179.1-56.3-48.4-52.700113.3A243 M244 G245 L249 W253A243-Q247 WeakPolarHBondContact O-CG 3.45Å; A243-Q247 PolarHBondContact O-N 3.39Å; A243-Q247 PolarHBondContact O-NE2 2.9Å; M244-Q247 PolarHBondContact O-N 3.06Å; G245-Q247 PolarHBondContact O-N 2.92Å; Q247-L249 VanDerWaalsContact C-N 3.31Å; Q247-W253 PolarHBondContact NE2-O 3.25Å
248Y98.5Very high98.5Very high189 Ų18987.5 Ų87.574%0.74149%0.49SS*.THydrogen-bonded Turntrans-76.9-19.6177.2-64.6-81.8000113.2G245 M246G245-Y248 WeakPolarHBondContact O-CD2 3.5Å; G245-Y248 PolarHBondContact O-N 3.44Å; M246-Y248 PolarHBondContact O-N 3.21Å
249L98.3Very high98.5Very high115 Ų11588.7 Ų88.760%0.60248%0.477SS*.THydrogen-bonded Turntrans-101.9-41.8-178.3-57.6178.6000111M246 Q247 M262M246-L249 PolarHBondContact O-N 3.11Å; M246-L249 HydrophobicContact SD-CD1 4.4Å; Q247-L249 VanDerWaalsContact C-N 3.31Å; L249-M262 HydrophobicContact CB-CE 4.49Å; L249-M262 HydrophobicContact CD1-CE 3.46Å; L249-M262 VanDerWaalsContact CD1-CE 3.46Å
250I98.5Very high98.5Very high41 Ų4184.5 Ų84.521%0.2144%0.441CS..SBendtrans-135.199.9179.8-56.8176.9000107.5M246 G252 W253 M262 R264M246-I250 HydrophobicContact CE-CD1 4.36Å; M246-I250 PolarHBondContact O-N 3.39Å; I250-G252 PolarHBondContact O-N 2.87Å; I250-W253 HydrophobicContact CB-CB 4.12Å; I250-W253 HydrophobicContact CG2-CB 4.28Å; I250-W253 WeakPolarHBondContact O-CB 3.24Å; I250-W253 PolarHBondContact O-N 2.81Å; I250-W253 VanDerWaalsContact O-N 3.09Å; I250-M262 HydrophobicContact CD1-SD 4.07Å; I250-R264 HydrophobicContact CD1-CB 4.16Å; I250-R264 HydrophobicContact CD1-CG 3.62Å; I250-R264 HydrophobicContact CG2-CB 4.42Å; I250-R264 HydrophobicContact CG2-CG 4.31Å
251P98.5Very high98.6Very high118 Ų11877.6 Ų77.677%0.76642%0.419SS*.THydrogen-bonded Turntrans-58.8128.5178.4-26.535.6000111.9
252G98.3Very high98.5Very high62 Ų6275.9 Ų75.964%0.63941%0.408SS*.THydrogen-bonded Turntrans80.217.7-177.200000113.8I250I250-G252 PolarHBondContact O-N 2.87Å
253W98.8Very high98.5Very high21 Ų2174.5 Ų74.58%0.0840%0.403CS..  trans-60.1137.7177.7-175.397.5000111.9A243 M246 Q247 I250 F255 C261A243-W253 HydrophobicContact CB-CE3 3.88Å; A243-W253 HydrophobicContact CB-CZ3 3.6Å; M246-W253 HydrophobicContact CB-CB 3.95Å; M246-W253 HydrophobicContact CB-CD2 3.49Å; M246-W253 VanDerWaalsContact CB-CD2 3.49Å; M246-W253 HydrophobicContact CB-CE3 3.68Å; M246-W253 HydrophobicContact CB-CG 3.64Å; M246-W253 HydrophobicContact CB-CZ3 4.36Å; M246-W253 HydrophobicContact CE-CD2 4.4Å; M246-W253 HydrophobicContact CE-CG 4.24Å; M246-W253 HydrophobicContact CG-CD2 3.77Å; M246-W253 HydrophobicContact CG-CE3 3.95Å; M246-W253 HydrophobicContact CG-CG 4.28Å; M246-W253 HydrophobicContact CG-CH2 4.22Å; M246-W253 HydrophobicContact CG-CZ2 4.04Å; M246-W253 HydrophobicContact CG-CZ3 4.18Å; Q247-W253 PolarHBondContact NE2-O 3.25Å; I250-W253 HydrophobicContact CB-CB 4.12Å; I250-W253 HydrophobicContact CG2-CB 4.28Å; I250-W253 WeakPolarHBondContact O-CB 3.24Å; I250-W253 PolarHBondContact O-N 2.81Å; I250-W253 VanDerWaalsContact O-N 3.09Å; W253-F255 HydrophobicContact CH2-CB 3.98Å; W253-F255 HydrophobicContact CH2-CD2 4.27Å; W253-F255 HydrophobicContact CZ3-CB 4.14Å; W253-C261 HydrophobicContact CZ2-CB 3.92Å; W253-C261 PolarHBondContact NE1-O 3.33Å
254T98.7Very high98.4Very high98 Ų9877.9 Ų77.960%0.60141%0.41SS*.  trans-128155170.158.50000110.9R264T254-R264 PolarHBondContact O-NH2 2.87Å
255F98.7Very high98.4Very high155 Ų15575.6 Ų75.668%0.6840%0.399SS*.  trans-67.5140.9175.2177.2-109.9000111.2W253 N257W253-F255 HydrophobicContact CH2-CB 3.98Å; W253-F255 HydrophobicContact CH2-CD2 4.27Å; W253-F255 HydrophobicContact CZ3-CB 4.14Å; F255-N257 HydrophobicContact CE1-CB 3.65Å; F255-N257 HydrophobicContact CZ-CB 3.54Å
256D98.7Very high98.4Very high60 Ų6077.4 Ų77.432%0.32140%0.398SS..  trans-143.3114.2173.1-178.2-22.1000106.6K258 R259D256-K258 PolarHBondContact O-N 3.46Å; D256-K258 PolarHBondContact OD1-N 3.42Å; D256-R259 HydrophobicContact CB-CB 3.92Å; D256-R259 VanDerWaalsContact CG-CB 3.44Å; D256-R259 PolarHBondContact O-N 2.86Å; D256-R259 PolarHBondContact OD1-N 2.99Å; D256-R259 WeakPolarHBondContact OD2-CB 3.47Å; D256-R259 IonicContact OD2-NE 2.75Å; D256-R259 PolarHBondContact OD2-NE 3.41Å
257N98.4Very high98.4Very high101 Ų10180.5 Ų80.554%0.5442%0.415SS..THydrogen-bonded Turntrans-74.7-5.6-174.474.5-39.8000113.4A57 F255A57-N257 WeakPolarHBondContact CA-O 3.44Å; F255-N257 HydrophobicContact CE1-CB 3.65Å; F255-N257 HydrophobicContact CZ-CB 3.54Å
258K98.7Very high98.4Very high65 Ų6580.9 Ų80.928%0.28342%0.419SS..THydrogen-bonded Turntrans-11814.1178.2-67.7-62-170.6168.80112.4G56 A57 G82 A83 E84 D256G56-K258 PolarHBondContact O-NZ 2.87Å; A57-K258 CarbonylContact O-C 3.3Å; A57-K258 VanDerWaalsContact O-C 3.3Å; A57-K258 VanDerWaalsContact O-CA 3.31Å; A57-K258 WeakPolarHBondContact O-CA 3.46Å; A57-K258 VanDerWaalsContact O-O 3.13Å; G82-K258 PolarHBondContact O-NZ 3.29Å; A83-K258 VanDerWaalsContact O-CE 3.29Å; A83-K258 WeakPolarHBondContact O-CE 3.45Å; A83-K258 PolarHBondContact O-NZ 3.26Å; E84-K258 IonicContact OE2-NZ 2.98Å; D256-K258 PolarHBondContact O-N 3.46Å; D256-K258 PolarHBondContact OD1-N 3.42Å
259R98.6Very high98.4Very high82 Ų8274.2 Ų74.231%0.30940%0.399SS..SBendtrans-141.7115.4-179.3-164.8167.262146.66.2112.6D256 V263 R264D256-R259 HydrophobicContact CB-CB 3.92Å; D256-R259 VanDerWaalsContact CG-CB 3.44Å; D256-R259 PolarHBondContact O-N 2.86Å; D256-R259 PolarHBondContact OD1-N 2.99Å; D256-R259 WeakPolarHBondContact OD2-CB 3.47Å; D256-R259 IonicContact OD2-NE 2.75Å; D256-R259 PolarHBondContact OD2-NE 3.41Å; R259-V263 VanDerWaalsContact CD-O 3.26Å; R259-V263 WeakPolarHBondContact CD-O 3.02Å; R259-V263 HydrophobicContact CG-CB 4.17Å; R259-V263 HydrophobicContact CG-CG1 4.19Å; R259-V263 VanDerWaalsContact CG-O 3.26Å; R259-V263 WeakPolarHBondContact CG-O 3.23Å; R259-V263 PolarHBondContact NE-O 3.43Å; R259-R264 PolarHBondContact NH1-OXT 2.87Å; R259-R264 PolarHBondContact O-NH1 3.47Å
260P98.5Very high98.4Very high14 Ų1471.5 Ų71.59%0.09139%0.385CS..  trans-49141179.2-28.735000113G27 V28 L29 M262 V263 R264G27-P260 CarbonylContact O-C 3.21Å; G27-P260 VanDerWaalsContact O-CA 3.24Å; G27-P260 WeakPolarHBondContact O-CA 3.36Å; V28-P260 CarbonylContact O-C 3.48Å; L29-P260 WeakPolarHBondContact O-CB 3.5Å; L29-P260 VanDerWaalsContact O-CG 3.27Å; L29-P260 WeakPolarHBondContact O-CG 3.34Å; P260-M262 VanDerWaalsContact C-N 3.27Å; P260-M262 PolarHBondContact O-N 2.91Å; P260-M262 VanDerWaalsContact O-N 3.08Å; P260-V263 HydrophobicContact CB-CB 4.45Å; P260-V263 HydrophobicContact CB-CG2 3.96Å; P260-V263 HydrophobicContact CG-CG2 4.41Å; P260-V263 WeakPolarHBondContact O-CB 3.36Å; P260-V263 PolarHBondContact O-N 3.17Å; P260-R264 PolarHBondContact O-NH1 2.76Å
261C98.6Very high98.4Very high27 Ų2773.6 Ų73.618%0.18240%0.398CS..THydrogen-bonded Turntrans-62.6-26.3-158.775.20000115.8G27 V28 M246 W253 R264G27-C261 PolarHBondContact O-N 3.06Å; V28-C261 PolarHBondContact O-N 3.47Å; M246-C261 HydrophobicContact CE-CB 4.36Å; W253-C261 HydrophobicContact CZ2-CB 3.92Å; W253-C261 PolarHBondContact NE1-O 3.33Å; C261-R264 VanDerWaalsContact O-CZ 3.25Å; C261-R264 PolarHBondContact O-NE 2.95Å; C261-R264 PolarHBondContact O-NH1 3.39Å
262M98.5Very high98.3Very high69 Ų6970.2 Ų70.234%0.3437%0.369SS..THydrogen-bonded Turntrans-94-2.6176.7-61.7-63.6165.300113.6V28 L29 M246 L249 I250 P260V28-M262 HydrophobicContact CG1-CG 3.91Å; V28-M262 VanDerWaalsContact O-CB 3.32Å; V28-M262 WeakPolarHBondContact O-CB 3.49Å; V28-M262 PolarHBondContact O-N 3.09Å; L29-M262 HydrophobicContact CD2-CB 4.11Å; L29-M262 HydrophobicContact CD2-CG 4.36Å; M246-M262 HydrophobicContact CE-CE 3.38Å; M246-M262 HydrophobicContact CE-SD 3.79Å; M246-M262 HydrophobicContact SD-CE 3.83Å; L249-M262 HydrophobicContact CB-CE 4.49Å; L249-M262 HydrophobicContact CD1-CE 3.46Å; L249-M262 VanDerWaalsContact CD1-CE 3.46Å; I250-M262 HydrophobicContact CD1-SD 4.07Å; P260-M262 VanDerWaalsContact C-N 3.27Å; P260-M262 PolarHBondContact O-N 2.91Å; P260-M262 VanDerWaalsContact O-N 3.08Å
263V98.2Very high98.4Very high59 Ų5970.9 Ų70.936%0.35835%0.347SS..  trans-92.999174.4-176.90000107.3R259 P260R259-V263 VanDerWaalsContact CD-O 3.26Å; R259-V263 WeakPolarHBondContact CD-O 3.02Å; R259-V263 HydrophobicContact CG-CB 4.17Å; R259-V263 HydrophobicContact CG-CG1 4.19Å; R259-V263 VanDerWaalsContact CG-O 3.26Å; R259-V263 WeakPolarHBondContact CG-O 3.23Å; R259-V263 PolarHBondContact NE-O 3.43Å; P260-V263 HydrophobicContact CB-CB 4.45Å; P260-V263 HydrophobicContact CB-CG2 3.96Å; P260-V263 HydrophobicContact CG-CG2 4.41Å; P260-V263 WeakPolarHBondContact O-CB 3.36Å; P260-V263 PolarHBondContact O-N 3.17Å
264R96Very high98.3Very high100 Ų10075.5 Ų75.538%0.37737%0.371SS..  trans-128.80-172.7-69-63.1178.7-96.910.1113.4I250 T254 R259 P260 C261I250-R264 HydrophobicContact CD1-CB 4.16Å; I250-R264 HydrophobicContact CD1-CG 3.62Å; I250-R264 HydrophobicContact CG2-CB 4.42Å; I250-R264 HydrophobicContact CG2-CG 4.31Å; T254-R264 PolarHBondContact O-NH2 2.87Å; R259-R264 PolarHBondContact NH1-OXT 2.87Å; R259-R264 PolarHBondContact O-NH1 3.47Å; P260-R264 PolarHBondContact O-NH1 2.76Å; C261-R264 VanDerWaalsContact O-CZ 3.25Å; C261-R264 PolarHBondContact O-NE 2.95Å; C261-R264 PolarHBondContact O-NH1 3.39Å

Retrieved 264 of 264 residues in 230 ms (Link to these results)

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