A0A3Q0KND5_SCHMA Loading...

Putative ankyrin repeat domain protein

AlphaFold DB (A0A5K4EP88), UniProt , Accession A0A3Q0KND5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 319 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
1M26.3Very low36.4Very low242 Ų242116.4 Ų116.4100%1.19268%0.676SS**  0101.50-78.3179.7146.500108.2P3M1-P3 WeakPolarHBondContact O-CD 3.39Å
2T28.1Very low39.1Very low94 Ų94110.5 Ų110.558%0.57764%0.637SS**  trans-75.2121.4175.146.70000108.8S4T2-S4 VanDerWaalsContact C-N 3.35Å; T2-S4 PolarHBondContact O-N 3.28Å
3P31.4Very low41.9Very low59 Ų59108.8 Ų108.838%0.38361%0.614SS.*  trans-67.899.817026.7-28.7000107.6M1 H5M1-P3 WeakPolarHBondContact O-CD 3.39Å; P3-H5 VanDerWaalsContact C-N 3.33Å; P3-H5 PolarHBondContact O-CD2 2.95Å; P3-H5 PolarHBondContact O-N 3.09Å
4S28.8Very low44.6Very low112 Ų112101.1 Ų101.178%0.78357%0.57SS**  trans-67.891.3173.956.60000108.4T2 A6T2-S4 VanDerWaalsContact C-N 3.35Å; T2-S4 PolarHBondContact O-N 3.28Å; S4-A6 PolarHBondContact O-N 2.95Å; S4-A6 VanDerWaalsContact O-N 3.13Å
5H36.5Very low47.1Very low75 Ų75100.9 Ų100.935%0.34756%0.561SS.*  trans-76.5100.2175.8-79.6-73.3000109.6P3 T7 Y212P3-H5 VanDerWaalsContact C-N 3.33Å; P3-H5 PolarHBondContact O-CD2 2.95Å; P3-H5 PolarHBondContact O-N 3.09Å; H5-T7 PolarHBondContact O-N 3.33Å; H5-T7 VanDerWaalsContact O-N 3.15Å; H5-Y212 AromaticContact CE1-CD1 3.89Å
6A30.9Very low49.2Very low96 Ų9694.7 Ų94.779%0.79353%0.526SS*.  trans-69.3100.5170.400000110.5S4S4-A6 PolarHBondContact O-N 2.95Å; S4-A6 VanDerWaalsContact O-N 3.13Å
7T33.7Very low51.1Low96 Ų9690.6 Ų90.659%0.58951%0.505SS*.  trans-152.999.1134.347.10000108.3H5 R9H5-T7 PolarHBondContact O-N 3.33Å; H5-T7 VanDerWaalsContact O-N 3.15Å; T7-R9 PolarHBondContact O-N 3.48Å
8A33.7Very low52.8Low94 Ų9485.9 Ų85.978%0.77748%0.48SS*.  trans-59.586.6163.800000109.5
9R42.5Very low53.9Low202 Ų20283.3 Ų83.376%0.76246%0.463SS*.  trans-104.3138.3155.3-74.1-176.9173.3177.2-1.8105.1T7 G11T7-R9 PolarHBondContact O-N 3.48Å; R9-G11 PolarHBondContact O-N 2.96Å
10N48.4Very low55.1Low187 Ų18780.3 Ų80.3100%145%0.446SS*.SBendtrans-61.939.8176.4-73.3-17.4000113.5
11G60.6Low56Low23 Ų2385.4 Ų85.424%0.23747%0.467CS..  trans-92.3152.6-178.600000111R9 R13R9-G11 PolarHBondContact O-N 2.96Å; G11-R13 WeakPolarHBondContact O-CG 3.45Å; G11-R13 PolarHBondContact O-N 3.43Å
12F68.4Low58.6Low46 Ų4675.9 Ų75.920%0.20242%0.42CS..EExtended strand (participates in β ladder)trans-50.1127.6172.9-168.6-93.2000111V14 G28 I29 I34 I74 N76F12-V14 HydrophobicContact CD1-CG2 3.83Å; F12-V14 HydrophobicContact CE1-CG2 3.37Å; F12-V14 HydrophobicContact CZ-CG2 4.33Å; F12-G28 PolarHBondContact O-N 2.99Å; F12-I29 HydrophobicContact CB-CB 4.43Å; F12-I29 HydrophobicContact CD1-CB 4.04Å; F12-I29 HydrophobicContact CD1-CD1 3.82Å; F12-I29 HydrophobicContact CD1-CG2 4.25Å; F12-I29 HydrophobicContact CE1-CD1 4.32Å; F12-I34 HydrophobicContact CE1-CG2 3.85Å; F12-I34 HydrophobicContact CZ-CD1 4.42Å; F12-I34 HydrophobicContact CZ-CG2 4.3Å; F12-I74 HydrophobicContact CE1-CG2 3.63Å; F12-I74 HydrophobicContact CZ-CB 4.12Å; F12-I74 HydrophobicContact CZ-CG2 3.57Å; F12-I74 VanDerWaalsContact CZ-O 3.27Å; F12-I74 WeakPolarHBondContact CZ-O 3.21Å; F12-N76 HydrophobicContact CD2-CB 3.74Å; F12-N76 HydrophobicContact CE2-CB 3.9Å; F12-N76 HydrophobicContact CG-CB 4.48Å
13R75.7Confident61.2Low89 Ų8974.5 Ų74.534%0.33642%0.415SS..EExtended strand (participates in β ladder)trans-115.4140.4-178.7-60.5-173.3170.1176-16.8110G11 V26 E27 N76 G77G11-R13 WeakPolarHBondContact O-CG 3.45Å; G11-R13 PolarHBondContact O-N 3.43Å; R13-V26 WeakPolarHBondContact CA-O 3.2Å; R13-E27 HydrophobicContact CG-CG 4.02Å; R13-E27 IonicContact CZ-OE1 3.96Å; R13-E27 IonicContact CZ-OE2 3.45Å; R13-E27 IonicContact NE-OE1 2.73Å; R13-E27 PolarHBondContact NE-OE1 3.24Å; R13-E27 VanDerWaalsContact NE-OE1 3.13Å; R13-E27 IonicContact NE-OE2 3.25Å; R13-E27 PolarHBondContact NE-OE2 2.82Å; R13-E27 IonicContact NH1-OE1 3.92Å; R13-E27 VanDerWaalsContact NH2-CD 3.35Å; R13-E27 IonicContact NH2-OE1 3.13Å; R13-E27 PolarHBondContact NH2-OE1 3.47Å; R13-E27 VanDerWaalsContact NH2-OE1 3.12Å; R13-E27 IonicContact NH2-OE2 2.88Å; R13-E27 PolarHBondContact NH2-OE2 3.24Å; R13-N76 PolarHBondContact N-OD1 2.98Å; R13-N76 PolarHBondContact O-OD1 3.33Å; R13-G77 PolarHBondContact O-N 3.45Å
14V79.7Confident63.6Low0 Ų073.2 Ų73.20%040%0.402CS..EExtended strand (participates in β ladder)trans-134.7133174.8179.10000108.1F12 I16 V26 I29 I38 I74 S78 L80F12-V14 HydrophobicContact CD1-CG2 3.83Å; F12-V14 HydrophobicContact CE1-CG2 3.37Å; F12-V14 HydrophobicContact CZ-CG2 4.33Å; V14-I16 HydrophobicContact CG1-CG1 4.46Å; V14-V26 PolarHBondContact N-O 3.4Å; V14-V26 PolarHBondContact O-N 3.22Å; V14-I29 HydrophobicContact CB-CD1 4.14Å; V14-I29 HydrophobicContact CG2-CD1 3.7Å; V14-I38 HydrophobicContact CG2-CD1 4.02Å; V14-I74 HydrophobicContact CG2-CG2 4.02Å; V14-S78 WeakPolarHBondContact CG1-O 3.46Å; V14-L80 HydrophobicContact CG1-CB 4.38Å; V14-L80 HydrophobicContact CG1-CD1 3.57Å; V14-L80 HydrophobicContact CG1-CG 3.63Å
15F81.9Confident66.1Low99 Ų9970.5 Ų70.543%0.43438%0.383SS..EExtended strand (participates in β ladder)trans-91.5129173.8-65.2-74.8000108.6C25 S78 T79 L80F15-C25 HydrophobicContact CD1-CB 4.12Å; F15-C25 HydrophobicContact CE1-CB 4.07Å; F15-S78 PolarHBondContact N-O 2.88Å; F15-T79 HydrophobicContact CB-CG2 3.98Å; F15-T79 HydrophobicContact CD2-CG2 4.48Å; F15-T79 CarbonylContact O-C 3.58Å; F15-T79 WeakPolarHBondContact O-CA 3.46Å; F15-L80 PolarHBondContact O-N 3.2Å
16I81.1Confident68.1Low1 Ų167.1 Ų67.11%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-114.9115.6177.9-52159.1000107.9V14 S23 Y24 V26 V42 F46 L80 V82V14-I16 HydrophobicContact CG1-CG1 4.46Å; I16-S23 CarbonylContact O-C 3.57Å; I16-S23 VanDerWaalsContact O-CA 3.25Å; I16-S23 WeakPolarHBondContact O-CA 3.48Å; I16-Y24 PolarHBondContact N-O 3.05Å; I16-Y24 PolarHBondContact O-N 3.44Å; I16-V26 HydrophobicContact CD1-CB 4.23Å; I16-V26 HydrophobicContact CD1-CG2 3.36Å; I16-V26 HydrophobicContact CG1-CG2 4.4Å; I16-V42 HydrophobicContact CD1-CB 4.39Å; I16-V42 HydrophobicContact CD1-CG2 3.41Å; I16-V42 VanDerWaalsContact CD1-CG2 3.41Å; I16-V42 HydrophobicContact CG1-CG2 4.28Å; I16-V42 HydrophobicContact CG2-CG2 4.48Å; I16-F46 HydrophobicContact CB-CE2 4.34Å; I16-F46 HydrophobicContact CG2-CE2 3.55Å; I16-F46 HydrophobicContact CG2-CZ 3.93Å; I16-L80 CarbonylContact C-O 3.4Å; I16-L80 WeakPolarHBondContact CA-O 3.4Å; I16-V82 HydrophobicContact CG2-CG2 3.43Å; I16-V82 VanDerWaalsContact CG2-CG2 3.43Å
17S81.6Confident70.4Confident25 Ų2565.7 Ų65.718%0.17534%0.344CS..EExtended strand (participates in β ladder)trans-97159.617064.70000110L22 I58 L80 H81 V82S17-L22 CarbonylContact C-O 3.56Å; S17-L22 WeakPolarHBondContact CA-O 3.44Å; S17-I58 WeakPolarHBondContact OG-CD1 3.39Å; S17-L80 PolarHBondContact N-O 3.35Å; S17-L80 PolarHBondContact OG-O 3.3Å; S17-H81 CarbonylContact O-C 3.52Å; S17-H81 WeakPolarHBondContact O-CA 3.33Å; S17-H81 PolarHBondContact OG-CD2 3.36Å; S17-H81 VanDerWaalsContact OG-CD2 3.29Å; S17-V82 PolarHBondContact O-N 3.33Å
18S80.8Confident72.1Confident7 Ų764 Ų645%0.04935%0.347CS..EExtended strand (participates in β ladder)trans-131.4163.4171.562.50000110.5L20 E21 L22 F46S18-L20 PolarHBondContact O-N 3.42Å; S18-L20 PolarHBondContact OG-N 2.88Å; S18-E21 PolarHBondContact O-N 3.1Å; S18-L22 PolarHBondContact N-O 3.36Å; S18-L22 WeakPolarHBondContact OG-CB 3.35Å; S18-L22 PolarHBondContact OG-N 3.03Å; S18-L22 PolarHBondContact OG-O 3.47Å; S18-L22 VanDerWaalsContact OG-O 3.1Å; S18-F46 WeakPolarHBondContact OG-CE1 3.48Å
19F74.5Confident73.8Confident36 Ų3660.1 Ų60.116%0.15831%0.312CS..THydrogen-bonded Turntrans-59.1-5.1171.673.1-83.9000114.6H81 V82 T84 E89 F92F19-H81 PolarHBondContact N-NE2 3.18Å; F19-V82 PolarHBondContact N-O 2.94Å; F19-T84 HydrophobicContact CE1-CG2 3.83Å; F19-T84 VanDerWaalsContact CE1-OG1 3.25Å; F19-T84 WeakPolarHBondContact CE1-OG1 3.25Å; F19-T84 WeakPolarHBondContact CZ-OG1 3.5Å; F19-E89 HydrophobicContact CD2-CB 3.94Å; F19-E89 HydrophobicContact CD2-CG 3.71Å; F19-E89 HydrophobicContact CE1-CG 4.33Å; F19-E89 VanDerWaalsContact CE2-CA 3.48Å; F19-E89 HydrophobicContact CE2-CB 3.42Å; F19-E89 VanDerWaalsContact CE2-CB 3.42Å; F19-E89 HydrophobicContact CE2-CG 3.45Å; F19-E89 VanDerWaalsContact CE2-CG 3.45Å; F19-E89 HydrophobicContact CG-CG 4.25Å; F19-E89 HydrophobicContact CZ-CB 4.06Å; F19-E89 HydrophobicContact CZ-CG 3.82Å; F19-F92 HydrophobicContact CE1-CD2 4.5Å; F19-F92 HydrophobicContact CZ-CB 4.07Å; F19-F92 AromaticContact CZ-CD2 3.86Å; F19-F92 HydrophobicContact CZ-CD2 3.86Å; F19-F92 HydrophobicContact CZ-CG 4.45Å
20L76.4Confident75.1Confident22 Ų2252.3 Ų52.312%0.11529%0.289CS..THydrogen-bonded Turntrans-103.112.1178.3-61.7172.7000112.8S18 L22 F92 K93 I96 F141S18-L20 PolarHBondContact O-N 3.42Å; S18-L20 PolarHBondContact OG-N 2.88Å; L20-L22 HydrophobicContact CB-CD1 4.24Å; L20-L22 HydrophobicContact CB-CG 4.13Å; L20-L22 HydrophobicContact CD1-CD1 4.48Å; L20-L22 PolarHBondContact O-N 3.24Å; L20-L22 VanDerWaalsContact O-N 3.08Å; L20-F92 HydrophobicContact CD1-CB 3.64Å; L20-F92 HydrophobicContact CD2-CB 4.45Å; L20-K93 HydrophobicContact CD2-CB 4.31Å; L20-K93 HydrophobicContact CD2-CD 4.41Å; L20-K93 HydrophobicContact CD2-CG 3.33Å; L20-I96 HydrophobicContact CB-CD1 3.54Å; L20-I96 HydrophobicContact CD1-CD1 3.48Å; L20-I96 VanDerWaalsContact CD1-CD1 3.48Å; L20-I96 HydrophobicContact CD2-CD1 3.88Å; L20-I96 HydrophobicContact CG-CD1 3.8Å; L20-F141 HydrophobicContact CD1-CE1 4.29Å; L20-F141 HydrophobicContact CD1-CE2 4.03Å; L20-F141 HydrophobicContact CD1-CZ 3.43Å; L20-F141 VanDerWaalsContact CD1-CZ 3.43Å
21E75.4Confident75.9Confident189 Ų18949 Ų4988%0.88328%0.277SS*.SBendtrans60.515.2-174.5-55.3178.8175.600113.7S18S18-E21 PolarHBondContact O-N 3.1Å
22L80.7Confident76.2Confident41 Ų4152.4 Ų52.422%0.21530%0.297CS..  trans-83127.3171.2-58172.9000109S17 S18 L20 Y24 F46 I96 F141 L145S17-L22 CarbonylContact C-O 3.56Å; S17-L22 WeakPolarHBondContact CA-O 3.44Å; S18-L22 PolarHBondContact N-O 3.36Å; S18-L22 WeakPolarHBondContact OG-CB 3.35Å; S18-L22 PolarHBondContact OG-N 3.03Å; S18-L22 PolarHBondContact OG-O 3.47Å; S18-L22 VanDerWaalsContact OG-O 3.1Å; L20-L22 HydrophobicContact CB-CD1 4.24Å; L20-L22 HydrophobicContact CB-CG 4.13Å; L20-L22 HydrophobicContact CD1-CD1 4.48Å; L20-L22 PolarHBondContact O-N 3.24Å; L20-L22 VanDerWaalsContact O-N 3.08Å; L22-Y24 HydrophobicContact CB-CE2 4.03Å; L22-F46 HydrophobicContact CB-CE1 4.02Å; L22-I96 HydrophobicContact CD1-CD1 4.02Å; L22-I96 HydrophobicContact CG-CD1 4.41Å; L22-F141 HydrophobicContact CD1-CZ 4.36Å; L22-L145 HydrophobicContact CD1-CD2 3.94Å
23S82.2Confident76.5Confident66 Ų6651.8 Ų51.846%0.46230%0.299SS..EExtended strand (participates in β ladder)trans-120.5129.317764.20000111.3I16I16-S23 CarbonylContact O-C 3.57Å; I16-S23 VanDerWaalsContact O-CA 3.25Å; I16-S23 WeakPolarHBondContact O-CA 3.48Å
24Y82.3Confident76.4Confident31 Ų3148.5 Ų48.512%0.12229%0.288CS..EExtended strand (participates in β ladder)trans-121.3143.3174.7-63.3-87.5000110.2I16 L22 C45 F46I16-Y24 PolarHBondContact N-O 3.05Å; I16-Y24 PolarHBondContact O-N 3.44Å; L22-Y24 HydrophobicContact CB-CE2 4.03Å; Y24-C45 HydrophobicContact CD1-CB 3.99Å; Y24-C45 HydrophobicContact CD2-CB 3.91Å; Y24-C45 HydrophobicContact CE1-CB 4.34Å; Y24-C45 HydrophobicContact CE2-CB 4.28Å; Y24-C45 HydrophobicContact CG-CB 3.75Å; Y24-C45 PolarHBondContact OH-O 2.86Å; Y24-F46 HydrophobicContact CD2-CD1 4.28Å; Y24-F46 AromaticContact CD2-CE1 3.67Å; Y24-F46 HydrophobicContact CD2-CE1 3.67Å; Y24-F46 HydrophobicContact CD2-CE2 4.01Å; Y24-F46 AromaticContact CD2-CZ 3.53Å; Y24-F46 HydrophobicContact CD2-CZ 3.53Å; Y24-F46 AromaticContact CE2-CD1 3.79Å; Y24-F46 HydrophobicContact CE2-CD1 3.79Å; Y24-F46 AromaticContact CE2-CE1 3.48Å; Y24-F46 HydrophobicContact CE2-CE1 3.48Å; Y24-F46 VanDerWaalsContact CE2-CE1 3.48Å; Y24-F46 HydrophobicContact CE2-CE2 4.46Å; Y24-F46 HydrophobicContact CE2-CG 4.42Å; Y24-F46 AromaticContact CE2-CZ 3.87Å; Y24-F46 HydrophobicContact CE2-CZ 3.87Å
25C81.2Confident76.1Confident56 Ų5649.5 Ų49.538%0.37829%0.294SS..EExtended strand (participates in β ladder)trans-101.2121.2170.3-175.50000108.1F15F15-C25 HydrophobicContact CD1-CB 4.12Å; F15-C25 HydrophobicContact CE1-CB 4.07Å
26V79.3Confident75.9Confident4 Ų451.7 Ų51.72%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-101.7124.4174.7171.40000108.9R13 V14 I16 I29 E41R13-V26 WeakPolarHBondContact CA-O 3.2Å; V14-V26 PolarHBondContact N-O 3.4Å; V14-V26 PolarHBondContact O-N 3.22Å; I16-V26 HydrophobicContact CD1-CB 4.23Å; I16-V26 HydrophobicContact CD1-CG2 3.36Å; I16-V26 HydrophobicContact CG1-CG2 4.4Å; V26-I29 HydrophobicContact CG1-CD1 3.8Å; V26-I29 HydrophobicContact CG1-CG1 3.85Å; V26-E41 HydrophobicContact CB-CG 4.18Å; V26-E41 HydrophobicContact CG1-CB 3.9Å; V26-E41 HydrophobicContact CG1-CG 3.63Å; V26-E41 HydrophobicContact CG2-CB 4.08Å; V26-E41 HydrophobicContact CG2-CG 3.49Å; V26-E41 VanDerWaalsContact CG2-CG 3.49Å
27E77.5Confident75.9Confident65 Ų6553.9 Ų53.930%0.30432%0.315SS..EExtended strand (participates in β ladder)trans-120.9156.1-179.3-51.5-162.1177.100111R13R13-E27 HydrophobicContact CG-CG 4.02Å; R13-E27 IonicContact CZ-OE1 3.96Å; R13-E27 IonicContact CZ-OE2 3.45Å; R13-E27 IonicContact NE-OE1 2.73Å; R13-E27 PolarHBondContact NE-OE1 3.24Å; R13-E27 VanDerWaalsContact NE-OE1 3.13Å; R13-E27 IonicContact NE-OE2 3.25Å; R13-E27 PolarHBondContact NE-OE2 2.82Å; R13-E27 IonicContact NH1-OE1 3.92Å; R13-E27 VanDerWaalsContact NH2-CD 3.35Å; R13-E27 IonicContact NH2-OE1 3.13Å; R13-E27 PolarHBondContact NH2-OE1 3.47Å; R13-E27 VanDerWaalsContact NH2-OE1 3.12Å; R13-E27 IonicContact NH2-OE2 2.88Å; R13-E27 PolarHBondContact NH2-OE2 3.24Å
28G69.9Low75.8Confident62 Ų6252.8 Ų52.864%0.63931%0.307SS*.EExtended strand (participates in β ladder)trans82.924.6172.600000114.7F12F12-G28 PolarHBondContact O-N 2.99Å
29I70.3Confident75.9Confident11 Ų1154 Ų546%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-69.3133.5177.5-63.4157.6000110F12 V14 V26 I34 D37 I38F12-I29 HydrophobicContact CB-CB 4.43Å; F12-I29 HydrophobicContact CD1-CB 4.04Å; F12-I29 HydrophobicContact CD1-CD1 3.82Å; F12-I29 HydrophobicContact CD1-CG2 4.25Å; F12-I29 HydrophobicContact CE1-CD1 4.32Å; V14-I29 HydrophobicContact CB-CD1 4.14Å; V14-I29 HydrophobicContact CG2-CD1 3.7Å; V26-I29 HydrophobicContact CG1-CD1 3.8Å; V26-I29 HydrophobicContact CG1-CG1 3.85Å; I29-I34 HydrophobicContact CG2-CB 4.16Å; I29-I34 HydrophobicContact CG2-CG1 4.24Å; I29-I34 HydrophobicContact CG2-CG2 3.97Å; I29-D37 HydrophobicContact CG2-CB 3.99Å; I29-I38 HydrophobicContact CD1-CD1 4.13Å; I29-I38 HydrophobicContact CD1-CG1 3.59Å; I29-I38 HydrophobicContact CG1-CG1 4.24Å
30S70.1Confident76.3Confident39 Ų3954 Ų5427%0.27331%0.313SS..  trans-76.8133.9175.372.10000110.6S32 S33 I34 D37S30-S32 PolarHBondContact O-N 3.46Å; S30-S33 PolarHBondContact O-N 3.36Å; S30-I34 WeakPolarHBondContact O-CG1 3.45Å; S30-I34 PolarHBondContact O-N 3.11Å; S30-D37 WeakPolarHBondContact CB-OD2 3.43Å; S30-D37 PolarHBondContact N-OD2 3.3Å; S30-D37 VanDerWaalsContact N-OD2 3.08Å; S30-D37 PolarHBondContact OG-OD2 2.77Å
31P64.6Low76.6Confident116 Ų11654.6 Ų54.675%0.75332%0.315SS*.THydrogen-bonded Turntrans-66.7-18.8-178.924.3-31.9000113.1
32S67.6Low77Confident95 Ų9545.7 Ų45.766%0.66427%0.273SS*.THydrogen-bonded Turntrans-79.4-14.6-179.749.50000114.5S30S30-S32 PolarHBondContact O-N 3.46Å
33S73.6Confident77.2Confident34 Ų3443.7 Ų43.724%0.23826%0.263CS..SBendtrans-154.148.4-176.1-750000111.5S30 V35 K36 D37S30-S33 PolarHBondContact O-N 3.36Å; S33-V35 VanDerWaalsContact C-N 3.33Å; S33-V35 PolarHBondContact O-N 3.43Å; S33-K36 PolarHBondContact O-N 2.89Å; S33-D37 PolarHBondContact O-N 3.38Å
34I73.5Confident77.3Confident19 Ų1940.6 Ų40.610%0.09724%0.241CC..Hα-helixtrans-53.4-49.3-172-60174.7000111.3F12 I29 S30 K36 D37 I38 I74F12-I34 HydrophobicContact CE1-CG2 3.85Å; F12-I34 HydrophobicContact CZ-CD1 4.42Å; F12-I34 HydrophobicContact CZ-CG2 4.3Å; I29-I34 HydrophobicContact CG2-CB 4.16Å; I29-I34 HydrophobicContact CG2-CG1 4.24Å; I29-I34 HydrophobicContact CG2-CG2 3.97Å; S30-I34 WeakPolarHBondContact O-CG1 3.45Å; S30-I34 PolarHBondContact O-N 3.11Å; I34-K36 PolarHBondContact O-N 3.38Å; I34-D37 PolarHBondContact O-N 3.36Å; I34-I38 HydrophobicContact CG2-CD1 3.55Å; I34-I38 HydrophobicContact CG2-CG1 4.41Å; I34-I38 WeakPolarHBondContact O-CB 3.2Å; I34-I38 WeakPolarHBondContact O-CD1 3.48Å; I34-I38 WeakPolarHBondContact O-CG1 2.9Å; I34-I38 PolarHBondContact O-N 3.37Å; I34-I74 HydrophobicContact CB-CD1 4.48Å; I34-I74 HydrophobicContact CG2-CB 4.02Å; I34-I74 HydrophobicContact CG2-CD1 3.63Å; I34-I74 HydrophobicContact CG2-CG1 4.4Å; I34-I74 HydrophobicContact CG2-CG2 3.92Å
35V74.6Confident77.4Confident21 Ų2139.6 Ų39.613%0.12724%0.239CC..Hα-helixtrans-65.6-43.3-176.6171.50000111.7S33 I38 I39 L69 E71 I74S33-V35 VanDerWaalsContact C-N 3.33Å; S33-V35 PolarHBondContact O-N 3.43Å; V35-I38 PolarHBondContact O-N 3.24Å; V35-I39 HydrophobicContact CG1-CD1 3.6Å; V35-I39 HydrophobicContact CG1-CG1 4.36Å; V35-I39 WeakPolarHBondContact O-CB 3.47Å; V35-I39 WeakPolarHBondContact O-CG1 3.25Å; V35-I39 PolarHBondContact O-N 2.76Å; V35-L69 HydrophobicContact CG1-CB 4.19Å; V35-L69 HydrophobicContact CG1-CD1 4.47Å; V35-L69 HydrophobicContact CG2-CB 3.94Å; V35-E71 HydrophobicContact CB-CG 4.1Å; V35-E71 HydrophobicContact CG2-CB 4.37Å; V35-E71 HydrophobicContact CG2-CG 3.46Å; V35-E71 VanDerWaalsContact CG2-CG 3.46Å; V35-I74 HydrophobicContact CG2-CD1 3.59Å
36K77.4Confident77.4Confident145 Ų14537.1 Ų37.163%0.6322%0.222SC*.Hα-helixtrans-65.9-43.1-179.5-68.2178.7-177.4169.40111.6S33 I34 I39 K40S33-K36 PolarHBondContact O-N 2.89Å; I34-K36 PolarHBondContact O-N 3.38Å; K36-I39 PolarHBondContact O-N 3.17Å; K36-K40 WeakPolarHBondContact O-CB 3.5Å; K36-K40 PolarHBondContact O-N 2.83Å
37D79.7Confident77.6Confident48 Ų4837 Ų3726%0.25722%0.221SC..Hα-helixtrans-65.6-42178.4-75.7-10.4000111.1I29 S30 S33 I34 K40 E41I29-D37 HydrophobicContact CG2-CB 3.99Å; S30-D37 WeakPolarHBondContact CB-OD2 3.43Å; S30-D37 PolarHBondContact N-OD2 3.3Å; S30-D37 VanDerWaalsContact N-OD2 3.08Å; S30-D37 PolarHBondContact OG-OD2 2.77Å; S33-D37 PolarHBondContact O-N 3.38Å; I34-D37 PolarHBondContact O-N 3.36Å; D37-K40 WeakPolarHBondContact O-CB 3.29Å; D37-K40 PolarHBondContact O-N 2.91Å; D37-E41 WeakPolarHBondContact O-CB 3.44Å; D37-E41 PolarHBondContact O-N 2.85Å
38I80.8Confident77.9Confident1 Ų134 Ų341%0.00521%0.207CC..Hα-helixtrans-61.1-52.7174.8-72.5167.7000110.4V14 I29 I34 V35 K40 E41 V42 I74 L80V14-I38 HydrophobicContact CG2-CD1 4.02Å; I29-I38 HydrophobicContact CD1-CD1 4.13Å; I29-I38 HydrophobicContact CD1-CG1 3.59Å; I29-I38 HydrophobicContact CG1-CG1 4.24Å; I34-I38 HydrophobicContact CG2-CD1 3.55Å; I34-I38 HydrophobicContact CG2-CG1 4.41Å; I34-I38 WeakPolarHBondContact O-CB 3.2Å; I34-I38 WeakPolarHBondContact O-CD1 3.48Å; I34-I38 WeakPolarHBondContact O-CG1 2.9Å; I34-I38 PolarHBondContact O-N 3.37Å; V35-I38 PolarHBondContact O-N 3.24Å; I38-K40 VanDerWaalsContact C-N 3.27Å; I38-K40 PolarHBondContact O-N 3.25Å; I38-E41 PolarHBondContact O-N 2.91Å; I38-V42 HydrophobicContact CG2-CG2 3.78Å; I38-V42 WeakPolarHBondContact O-CB 3.49Å; I38-V42 WeakPolarHBondContact O-CG2 3.11Å; I38-V42 PolarHBondContact O-N 3.01Å; I38-I74 HydrophobicContact CD1-CD1 3.82Å; I38-I74 HydrophobicContact CD1-CG2 3.92Å; I38-L80 HydrophobicContact CD1-CD1 4.22Å; I38-L80 HydrophobicContact CG2-CD1 3.73Å
39I81.6Confident78.6Confident33 Ų3331.7 Ų31.717%0.16918%0.181CC..Hα-helixtrans-59.3-41.9-179.5-69.1168.3000110.9V35 K36 E41 E43 N50 F167V35-I39 HydrophobicContact CG1-CD1 3.6Å; V35-I39 HydrophobicContact CG1-CG1 4.36Å; V35-I39 WeakPolarHBondContact O-CB 3.47Å; V35-I39 WeakPolarHBondContact O-CG1 3.25Å; V35-I39 PolarHBondContact O-N 2.76Å; K36-I39 PolarHBondContact O-N 3.17Å; I39-E41 VanDerWaalsContact C-N 3.29Å; I39-E41 PolarHBondContact O-N 3.17Å; I39-E43 PolarHBondContact O-N 2.73Å; I39-N50 HydrophobicContact CG2-CB 4.25Å; I39-N50 VanDerWaalsContact CG2-CG 3.44Å; I39-N50 WeakPolarHBondContact CG2-ND2 3.46Å; I39-N50 WeakPolarHBondContact CG2-OD1 3.38Å; I39-F167 HydrophobicContact CG2-CE2 3.87Å; I39-F167 HydrophobicContact CG2-CZ 3.77Å
40K83.1Confident79.1Confident35 Ų3533.1 Ų33.115%0.15219%0.189CC..Hα-helixtrans-58-42.7175.5177.8-177.1175.6179.80111.1K36 D37 I38 R169 F201 E203K36-K40 WeakPolarHBondContact O-CB 3.5Å; K36-K40 PolarHBondContact O-N 2.83Å; D37-K40 WeakPolarHBondContact O-CB 3.29Å; D37-K40 PolarHBondContact O-N 2.91Å; I38-K40 VanDerWaalsContact C-N 3.27Å; I38-K40 PolarHBondContact O-N 3.25Å; K40-R169 VanDerWaalsContact O-CZ 3.25Å; K40-R169 PolarHBondContact O-NH1 3.1Å; K40-R169 PolarHBondContact O-NH2 3.24Å; K40-F201 HydrophobicContact CB-CZ 4.3Å; K40-F201 HydrophobicContact CD-CD1 4.41Å; K40-F201 HydrophobicContact CD-CD2 4.1Å; K40-F201 HydrophobicContact CD-CE1 4.17Å; K40-F201 HydrophobicContact CD-CE2 3.85Å; K40-F201 HydrophobicContact CD-CG 4.37Å; K40-F201 HydrophobicContact CD-CZ 3.89Å; K40-F201 HydrophobicContact CG-CD2 4.34Å; K40-F201 HydrophobicContact CG-CE2 3.73Å; K40-F201 HydrophobicContact CG-CZ 3.92Å; K40-E203 IonicContact NZ-OE1 2.83Å; K40-E203 PolarHBondContact NZ-OE1 3.41Å; K40-E203 IonicContact NZ-OE2 3.18Å
41E83.6Confident79.6Confident36 Ų3635.7 Ų35.717%0.16820%0.199CC..Hα-helixtrans-79.1-39.4-177.3-163.768.7-175.500112.5V26 D37 I38 I39 E43 L44 C45 Y212V26-E41 HydrophobicContact CB-CG 4.18Å; V26-E41 HydrophobicContact CG1-CB 3.9Å; V26-E41 HydrophobicContact CG1-CG 3.63Å; V26-E41 HydrophobicContact CG2-CB 4.08Å; V26-E41 HydrophobicContact CG2-CG 3.49Å; V26-E41 VanDerWaalsContact CG2-CG 3.49Å; D37-E41 WeakPolarHBondContact O-CB 3.44Å; D37-E41 PolarHBondContact O-N 2.85Å; I38-E41 PolarHBondContact O-N 2.91Å; I39-E41 VanDerWaalsContact C-N 3.29Å; I39-E41 PolarHBondContact O-N 3.17Å; E41-E43 VanDerWaalsContact C-N 3.28Å; E41-E43 PolarHBondContact O-N 3.19Å; E41-L44 WeakPolarHBondContact O-CA 3.35Å; E41-L44 WeakPolarHBondContact O-CB 3.25Å; E41-L44 PolarHBondContact O-N 2.99Å; E41-C45 PolarHBondContact O-N 3.11Å; E41-C45 PolarHBondContact O-SG 3.39Å; E41-C45 VanDerWaalsContact O-SG 3.35Å; E41-Y212 WeakPolarHBondContact OE1-CE1 3.32Å; E41-Y212 VanDerWaalsContact OE1-CZ 3.23Å; E41-Y212 PolarHBondContact OE1-OH 3.14Å; E41-Y212 PolarHBondContact OE2-OH 3.41Å
42V83.4Confident80.4Confident1 Ų132.4 Ų32.41%0.00618%0.175CC..Hα-helixtrans-53.7-46.4175.7175.50000110.6I16 I38 L44 C45 F46 M53 V55 V82I16-V42 HydrophobicContact CD1-CB 4.39Å; I16-V42 HydrophobicContact CD1-CG2 3.41Å; I16-V42 VanDerWaalsContact CD1-CG2 3.41Å; I16-V42 HydrophobicContact CG1-CG2 4.28Å; I16-V42 HydrophobicContact CG2-CG2 4.48Å; I38-V42 HydrophobicContact CG2-CG2 3.78Å; I38-V42 WeakPolarHBondContact O-CB 3.49Å; I38-V42 WeakPolarHBondContact O-CG2 3.11Å; I38-V42 PolarHBondContact O-N 3.01Å; V42-L44 VanDerWaalsContact C-N 3.28Å; V42-L44 PolarHBondContact O-N 3.34Å; V42-C45 PolarHBondContact O-N 3.31Å; V42-F46 HydrophobicContact CG1-CD2 3.78Å; V42-F46 HydrophobicContact CG1-CE2 4.1Å; V42-F46 WeakPolarHBondContact O-CD2 3.49Å; V42-F46 PolarHBondContact O-N 3.12Å; V42-M53 HydrophobicContact CG1-CE 3.97Å; V42-M53 HydrophobicContact CG1-SD 3.91Å; V42-V55 HydrophobicContact CG1-CG2 4.33Å; V42-V82 HydrophobicContact CG1-CG2 3.76Å
43E84.9Confident81Confident0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-63.9-30.8177.9172.3171.8134.700112.5I39 E41 G47 I48 N50 M53 T165 F167 R169I39-E43 PolarHBondContact O-N 2.73Å; E41-E43 VanDerWaalsContact C-N 3.28Å; E41-E43 PolarHBondContact O-N 3.19Å; E43-G47 VanDerWaalsContact O-CA 3.23Å; E43-G47 WeakPolarHBondContact O-CA 3.44Å; E43-G47 PolarHBondContact O-N 2.81Å; E43-I48 VanDerWaalsContact CG-O 3.29Å; E43-I48 WeakPolarHBondContact CG-O 3.37Å; E43-N50 PolarHBondContact OE2-N 3.43Å; E43-M53 HydrophobicContact CB-CE 4.05Å; E43-T165 WeakPolarHBondContact OE1-CB 3.5Å; E43-T165 WeakPolarHBondContact OE1-CG2 3.26Å; E43-T165 PolarHBondContact OE1-OG1 3.23Å; E43-F167 HydrophobicContact CB-CD2 4.44Å; E43-F167 HydrophobicContact CG-CD2 4.41Å; E43-F167 WeakPolarHBondContact OE1-CD2 3.28Å; E43-F167 WeakPolarHBondContact OE2-CD2 3.3Å; E43-F167 WeakPolarHBondContact OE2-CE2 3.35Å; E43-R169 WeakPolarHBondContact OE1-CD 3.4Å; E43-R169 IonicContact OE1-NH1 2.89Å
44L85.4Confident81Confident0 Ų031.4 Ų31.40%016%0.156CC..Hα-helixtrans-72-42.5172.6-71.7171.6000111.6E41 V42 A177 H178 I208 Y212E41-L44 WeakPolarHBondContact O-CA 3.35Å; E41-L44 WeakPolarHBondContact O-CB 3.25Å; E41-L44 PolarHBondContact O-N 2.99Å; V42-L44 VanDerWaalsContact C-N 3.28Å; V42-L44 PolarHBondContact O-N 3.34Å; L44-A177 HydrophobicContact CB-CB 4.37Å; L44-H178 PolarHBondContact O-NE2 3.41Å; L44-H178 VanDerWaalsContact O-NE2 3.12Å; L44-I208 HydrophobicContact CD2-CD1 4.09Å; L44-I208 HydrophobicContact CD2-CG2 4.44Å; L44-Y212 WeakPolarHBondContact CB-OH 3.26Å; L44-Y212 HydrophobicContact CD1-CE2 4.14Å; L44-Y212 WeakPolarHBondContact CD1-OH 3.04Å
45C83.3Confident81Confident11 Ų1131.2 Ų31.27%0.07416%0.156CC..Hα-helixtrans-66.4-44-176.2-65.30000113Y24 E41 V42 H178Y24-C45 HydrophobicContact CD1-CB 3.99Å; Y24-C45 HydrophobicContact CD2-CB 3.91Å; Y24-C45 HydrophobicContact CE1-CB 4.34Å; Y24-C45 HydrophobicContact CE2-CB 4.28Å; Y24-C45 HydrophobicContact CG-CB 3.75Å; Y24-C45 PolarHBondContact OH-O 2.86Å; E41-C45 PolarHBondContact O-N 3.11Å; E41-C45 PolarHBondContact O-SG 3.39Å; E41-C45 VanDerWaalsContact O-SG 3.35Å; V42-C45 PolarHBondContact O-N 3.31Å; C45-H178 PolarHBondContact O-CE1 2.79Å; C45-H178 VanDerWaalsContact O-CE1 3.24Å; C45-H178 PolarHBondContact O-NE2 3.27Å
46F81.3Confident80.9Confident4 Ų431.7 Ų31.72%0.01816%0.158CC..Hα-helixtrans-95.1-23.5-178.1-65.2-77.5000113.1I16 S18 L22 Y24 V42 I48 V82 F141I16-F46 HydrophobicContact CB-CE2 4.34Å; I16-F46 HydrophobicContact CG2-CE2 3.55Å; I16-F46 HydrophobicContact CG2-CZ 3.93Å; S18-F46 WeakPolarHBondContact OG-CE1 3.48Å; L22-F46 HydrophobicContact CB-CE1 4.02Å; Y24-F46 HydrophobicContact CD2-CD1 4.28Å; Y24-F46 AromaticContact CD2-CE1 3.67Å; Y24-F46 HydrophobicContact CD2-CE1 3.67Å; Y24-F46 HydrophobicContact CD2-CE2 4.01Å; Y24-F46 AromaticContact CD2-CZ 3.53Å; Y24-F46 HydrophobicContact CD2-CZ 3.53Å; Y24-F46 AromaticContact CE2-CD1 3.79Å; Y24-F46 HydrophobicContact CE2-CD1 3.79Å; Y24-F46 AromaticContact CE2-CE1 3.48Å; Y24-F46 HydrophobicContact CE2-CE1 3.48Å; Y24-F46 VanDerWaalsContact CE2-CE1 3.48Å; Y24-F46 HydrophobicContact CE2-CE2 4.46Å; Y24-F46 HydrophobicContact CE2-CG 4.42Å; Y24-F46 AromaticContact CE2-CZ 3.87Å; Y24-F46 HydrophobicContact CE2-CZ 3.87Å; V42-F46 HydrophobicContact CG1-CD2 3.78Å; V42-F46 HydrophobicContact CG1-CE2 4.1Å; V42-F46 WeakPolarHBondContact O-CD2 3.49Å; V42-F46 PolarHBondContact O-N 3.12Å; F46-I48 VanDerWaalsContact C-N 3.31Å; F46-I48 HydrophobicContact CB-CD1 4.11Å; F46-I48 HydrophobicContact CB-CG1 4.1Å; F46-V82 HydrophobicContact CD2-CG2 4.26Å; F46-V82 HydrophobicContact CE2-CB 4.45Å; F46-V82 HydrophobicContact CE2-CG2 3.76Å; F46-V82 HydrophobicContact CZ-CG2 4.3Å; F46-F141 WeakPolarHBondContact O-CD2 3.29Å
47G82.9Confident80.3Confident0 Ų026.7 Ų26.70%014%0.136CC..  trans69.128.4-174.300000113.8E43 L140 F141E43-G47 VanDerWaalsContact O-CA 3.23Å; E43-G47 WeakPolarHBondContact O-CA 3.44Å; E43-G47 PolarHBondContact O-N 2.81Å; G47-L140 CarbonylContact O-C 3.58Å; G47-L140 VanDerWaalsContact O-C 3.28Å; G47-L140 WeakPolarHBondContact O-CB 3.3Å; G47-F141 PolarHBondContact O-N 2.89Å
48I83.5Confident79.4Confident2 Ų228.2 Ų28.21%0.0114%0.144CC..  trans-110.7135.4176.8-53170.8000107.8E43 F46 L52 M53 T84 F92 F141E43-I48 VanDerWaalsContact CG-O 3.29Å; E43-I48 WeakPolarHBondContact CG-O 3.37Å; F46-I48 VanDerWaalsContact C-N 3.31Å; F46-I48 HydrophobicContact CB-CD1 4.11Å; F46-I48 HydrophobicContact CB-CG1 4.1Å; I48-L52 HydrophobicContact CG2-CB 3.94Å; I48-M53 HydrophobicContact CB-CE 4.48Å; I48-M53 HydrophobicContact CB-CG 3.76Å; I48-M53 HydrophobicContact CB-SD 3.62Å; I48-M53 HydrophobicContact CD1-SD 4.48Å; I48-M53 HydrophobicContact CG2-CG 3.45Å; I48-M53 VanDerWaalsContact CG2-CG 3.45Å; I48-M53 HydrophobicContact CG2-SD 4.05Å; I48-M53 WeakPolarHBondContact O-CE 3.49Å; I48-T84 HydrophobicContact CD1-CG2 4.11Å; I48-F92 HydrophobicContact CD1-CD2 4.1Å; I48-F92 HydrophobicContact CD1-CE1 4.48Å; I48-F92 HydrophobicContact CD1-CE2 3.61Å; I48-F92 HydrophobicContact CD1-CZ 3.83Å; I48-F92 HydrophobicContact CG1-CE1 4.29Å; I48-F92 HydrophobicContact CG1-CE2 4.09Å; I48-F92 HydrophobicContact CG1-CZ 3.76Å; I48-F92 HydrophobicContact CG2-CE2 4.33Å; I48-F92 HydrophobicContact CG2-CZ 4.09Å; I48-F141 HydrophobicContact CD1-CD2 3.88Å; I48-F141 HydrophobicContact CD1-CE2 4.04Å; I48-F141 HydrophobicContact CG1-CD2 3.65Å; I48-F141 HydrophobicContact CG1-CE2 4.28Å
49S85Confident78Confident15 Ų1534.7 Ų34.711%0.10518%0.178CC..  trans-62.1137.5177.2-169.50000110.7D51 L52 K166S49-D51 PolarHBondContact O-N 2.96Å; S49-D51 VanDerWaalsContact O-N 3.08Å; S49-L52 PolarHBondContact O-N 3.38Å; S49-K166 PolarHBondContact OG-N 2.98Å
50N81.3Confident76.2Confident40 Ų4039.1 Ų39.121%0.21419%0.193CC..G310 helixtrans-48.7-38.1179.9-174.229.9000114.3I39 E43 L52 M53 F167I39-N50 HydrophobicContact CG2-CB 4.25Å; I39-N50 VanDerWaalsContact CG2-CG 3.44Å; I39-N50 WeakPolarHBondContact CG2-ND2 3.46Å; I39-N50 WeakPolarHBondContact CG2-OD1 3.38Å; E43-N50 PolarHBondContact OE2-N 3.43Å; N50-L52 PolarHBondContact O-N 3.24Å; N50-L52 VanDerWaalsContact O-N 3.11Å; N50-M53 PolarHBondContact O-N 3.35Å; N50-M53 VanDerWaalsContact O-N 3.13Å; N50-F167 HydrophobicContact CB-CE2 3.98Å; N50-F167 HydrophobicContact CB-CZ 4.34Å
51D80.6Confident74.2Confident93 Ų9340.6 Ų40.650%0.49722%0.217SC..G310 helixtrans-65.7-14.4179.9-63.6-31.9000114.4S49 K166S49-D51 PolarHBondContact O-N 2.96Å; S49-D51 VanDerWaalsContact O-N 3.08Å; D51-K166 VanDerWaalsContact OD1-CD 3.3Å; D51-K166 WeakPolarHBondContact OD1-CD 3.38Å; D51-K166 WeakPolarHBondContact OD1-CE 3.47Å; D51-K166 IonicContact OD1-NZ 3.3Å; D51-K166 PolarHBondContact OD1-NZ 3.05Å; D51-K166 VanDerWaalsContact OD2-CD 3.32Å; D51-K166 WeakPolarHBondContact OD2-CD 3.05Å; D51-K166 IonicContact OD2-NZ 3.85Å
52L81.7Confident72.3Confident48 Ų4845.7 Ų45.725%0.25125%0.246SC..G310 helixtrans-105.10.6-179.7-57.2176.8000112.4I48 S49 N50 P85 L88 T137I48-L52 HydrophobicContact CG2-CB 3.94Å; S49-L52 PolarHBondContact O-N 3.38Å; N50-L52 PolarHBondContact O-N 3.24Å; N50-L52 VanDerWaalsContact O-N 3.11Å; L52-P85 WeakPolarHBondContact O-CD 3.26Å; L52-L88 HydrophobicContact CB-CD1 4.05Å; L52-L88 HydrophobicContact CD1-CD1 3.99Å; L52-L88 HydrophobicContact CD2-CD1 4.06Å; L52-L88 HydrophobicContact CG-CD1 4.25Å; L52-T137 HydrophobicContact CD1-CG2 3.72Å
53M79.1Confident70.4Confident8 Ų848.9 Ų48.94%0.03926%0.263CS..  trans-118142.8-177.5-64.4-171.2-65.800111.1V42 E43 I48 N50 V82 T84V42-M53 HydrophobicContact CG1-CE 3.97Å; V42-M53 HydrophobicContact CG1-SD 3.91Å; E43-M53 HydrophobicContact CB-CE 4.05Å; I48-M53 HydrophobicContact CB-CE 4.48Å; I48-M53 HydrophobicContact CB-CG 3.76Å; I48-M53 HydrophobicContact CB-SD 3.62Å; I48-M53 HydrophobicContact CD1-SD 4.48Å; I48-M53 HydrophobicContact CG2-CG 3.45Å; I48-M53 VanDerWaalsContact CG2-CG 3.45Å; I48-M53 HydrophobicContact CG2-SD 4.05Å; I48-M53 WeakPolarHBondContact O-CE 3.49Å; N50-M53 PolarHBondContact O-N 3.35Å; N50-M53 VanDerWaalsContact O-N 3.13Å; M53-V82 HydrophobicContact CB-CG1 4.05Å; M53-V82 HydrophobicContact CG-CG1 4Å; M53-V82 HydrophobicContact SD-CG1 3.84Å; M53-T84 HydrophobicContact CG-CG2 4.36Å
54H75Confident68.6Low100 Ų10056.1 Ų56.146%0.46330%0.3SS..EExtended strand (participates in β ladder)trans-119.5126.3163.9-62.1-74.2000108.9V82 T83H54-V82 CarbonylContact O-C 3.5Å; H54-V82 WeakPolarHBondContact O-CA 3.44Å; H54-T83 WeakPolarHBondContact CB-OG1 3.37Å; H54-T83 PolarHBondContact N-O 3.38Å; H54-T83 PolarHBondContact O-N 2.94Å; H54-T83 PolarHBondContact O-OG1 2.82Å
55V72.7Confident66.5Low15 Ų1561.7 Ų61.79%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-105.7111.6-178.8-171.90000108.6V42 L69 L80 H81 V82V42-V55 HydrophobicContact CG1-CG2 4.33Å; V55-L69 HydrophobicContact CB-CD1 3.89Å; V55-L69 HydrophobicContact CB-CG 4.46Å; V55-L69 HydrophobicContact CG1-CD1 3.88Å; V55-L69 HydrophobicContact CG1-CD2 4.44Å; V55-L69 WeakPolarHBondContact O-CD2 3.21Å; V55-L69 WeakPolarHBondContact O-CG 3.12Å; V55-L80 HydrophobicContact CG1-CB 3.87Å; V55-L80 HydrophobicContact CG1-CD1 3.86Å; V55-L80 HydrophobicContact CG1-CG 4.34Å; V55-H81 WeakPolarHBondContact CA-O 3.5Å; V55-V82 HydrophobicContact CG2-CG2 4.24Å
56N72.3Confident64.9Low30 Ų3066.1 Ų66.116%0.1636%0.361CS..EExtended strand (participates in β ladder)trans-117.3171.8-177.6-65.6-3.8000110.3L63 L80 H81N56-L63 PolarHBondContact ND2-O 3.29Å; N56-L80 CarbonylContact O-C 3.53Å; N56-L80 VanDerWaalsContact O-CA 3.27Å; N56-L80 WeakPolarHBondContact O-CA 3.35Å; N56-H81 PolarHBondContact N-O 2.96Å; N56-H81 PolarHBondContact O-N 3.38Å
57F65.5Low63.3Low40 Ų4068.8 Ų68.818%0.17538%0.38CS..EExtended strand (participates in β ladder)trans-88.1142.3171.6-71.4-84.7000110.8L69 N73 I74 L80F57-L69 HydrophobicContact CD2-CD2 4.43Å; F57-L69 HydrophobicContact CE2-CD2 3.95Å; F57-L69 HydrophobicContact CZ-CD2 4.31Å; F57-N73 HydrophobicContact CE2-CB 3.94Å; F57-N73 HydrophobicContact CZ-CB 3.84Å; F57-I74 HydrophobicContact CZ-CG1 3.9Å; F57-L80 HydrophobicContact CD1-CD2 3.46Å; F57-L80 VanDerWaalsContact CD1-CD2 3.46Å; F57-L80 HydrophobicContact CD2-CD2 4.43Å; F57-L80 HydrophobicContact CE1-CD2 3.47Å; F57-L80 VanDerWaalsContact CE1-CD2 3.47Å; F57-L80 HydrophobicContact CE2-CD2 4.43Å; F57-L80 HydrophobicContact CG-CD2 3.98Å; F57-L80 HydrophobicContact CZ-CD2 3.99Å
58I60.7Low62.1Low81 Ų8173.2 Ų73.242%0.41541%0.411SS..SBendtrans-67.1-42.8173.2-61.9178.2000110.6S17 R60 T79 H81S17-I58 WeakPolarHBondContact OG-CD1 3.39Å; I58-R60 VanDerWaalsContact C-N 3.28Å; I58-R60 PolarHBondContact O-N 3.1Å; I58-T79 HydrophobicContact CD1-CG2 4.37Å; I58-T79 PolarHBondContact N-O 2.62Å; I58-T79 VanDerWaalsContact N-O 3.07Å; I58-H81 HydrophobicContact CG1-CB 3.82Å
59D50.9Low61.1Low137 Ų13774.3 Ų74.373%0.73342%0.416SS*.SBendtrans-80.60.8-166.8-68.8-17.1000115G61D59-G61 PolarHBondContact O-N 3Å
60R43.1Very low60Low126 Ų12678.6 Ų78.648%0.47544%0.436SS..SBendtrans-105.174.2173.8-67.2-163.9-175.3-178.55.6110I58 D62 L63 N73I58-R60 VanDerWaalsContact C-N 3.28Å; I58-R60 PolarHBondContact O-N 3.1Å; R60-D62 PolarHBondContact O-N 3.33Å; R60-L63 HydrophobicContact CB-CD1 3.59Å; R60-L63 HydrophobicContact CB-CG 4.2Å; R60-L63 HydrophobicContact CG-CD1 4.27Å; R60-L63 PolarHBondContact O-N 2.96Å; R60-L63 VanDerWaalsContact O-N 3.17Å; R60-N73 PolarHBondContact NH2-OD1 2.65Å
61G42.9Very low59.1Low65 Ų6581.5 Ų81.567%0.6745%0.448SS*.THydrogen-bonded Turntrans3.1-41.6170.100000121.1D59D59-G61 PolarHBondContact O-N 3Å
62D43.2Very low58.3Low144 Ų14481.8 Ų81.877%0.7746%0.458SS*.THydrogen-bonded Turntrans-150.229.2-168.4-68.7-58.9000113.3R60 I64R60-D62 PolarHBondContact O-N 3.33Å; D62-I64 PolarHBondContact O-N 2.96Å
63L42.9Very low57.5Low68 Ų6882.1 Ų82.136%0.35646%0.46SS..  trans-78.472.6170.8-69.1169.7000110.1N56 R60N56-L63 PolarHBondContact ND2-O 3.29Å; R60-L63 HydrophobicContact CB-CD1 3.59Å; R60-L63 HydrophobicContact CB-CG 4.2Å; R60-L63 HydrophobicContact CG-CD1 4.27Å; R60-L63 PolarHBondContact O-N 2.96Å; R60-L63 VanDerWaalsContact O-N 3.17Å
64I47Very low57.1Low151 Ų15182.2 Ų82.277%0.77446%0.46SS*.  trans-65.3-24.3163-62.2169000109.7D62D62-I64 PolarHBondContact O-N 2.96Å
65D41.9Very low56.8Low118 Ų11882.1 Ų82.163%0.63147%0.467SS*.SBendtrans-80.3140-177.1-65.6-22.2000111.4S67D65-S67 PolarHBondContact O-N 3.26Å
66S49.1Very low56.8Low104 Ų10486 Ų8673%0.72749%0.487SS*.  trans-62.241.9177.857.40000114S68S66-S68 PolarHBondContact O-N 2.77Å; S66-S68 VanDerWaalsContact O-N 3.14Å
67S48.8Very low56.8Low60 Ų6086.3 Ų86.342%0.4250%0.497SS..  trans-67.8111.5175.356.40000108.6D65D65-S67 PolarHBondContact O-N 3.26Å
68S57.4Low57.4Low92 Ų9285.2 Ų85.264%0.64349%0.494SS*.  trans-50.5138.4175.350.60000111S66 M70S66-S68 PolarHBondContact O-N 2.77Å; S66-S68 VanDerWaalsContact O-N 3.14Å; S68-M70 PolarHBondContact O-N 3.26Å
69L62.7Low58.2Low25 Ų2583.3 Ų83.313%0.13149%0.486CS..  trans-49.5113.4170.8-70.3170.4000109.7V35 V55 F57 L80V35-L69 HydrophobicContact CG1-CB 4.19Å; V35-L69 HydrophobicContact CG1-CD1 4.47Å; V35-L69 HydrophobicContact CG2-CB 3.94Å; V55-L69 HydrophobicContact CB-CD1 3.89Å; V55-L69 HydrophobicContact CB-CG 4.46Å; V55-L69 HydrophobicContact CG1-CD1 3.88Å; V55-L69 HydrophobicContact CG1-CD2 4.44Å; V55-L69 WeakPolarHBondContact O-CD2 3.21Å; V55-L69 WeakPolarHBondContact O-CG 3.12Å; F57-L69 HydrophobicContact CD2-CD2 4.43Å; F57-L69 HydrophobicContact CE2-CD2 3.95Å; F57-L69 HydrophobicContact CZ-CD2 4.31Å; L69-L80 HydrophobicContact CD2-CD1 4.5Å; L69-L80 HydrophobicContact CD2-CD2 3.88Å
70M61.3Low59.6Low106 Ų10676.8 Ų76.852%0.52245%0.451SS..  trans-85.9125.9172.1-63.7-68.5-77.100108.1S68 S72 N73S68-M70 PolarHBondContact O-N 3.26Å; M70-S72 PolarHBondContact O-N 2.99Å; M70-S72 VanDerWaalsContact O-N 3.12Å; M70-N73 PolarHBondContact O-N 3.45Å
71E63.1Low61.4Low100 Ų10073.2 Ų73.247%0.46744%0.44SS..G310 helixtrans-52.7-35.4-179.7-72.2179.3170.100112.3V35 N73 I74V35-E71 HydrophobicContact CB-CG 4.1Å; V35-E71 HydrophobicContact CG2-CB 4.37Å; V35-E71 HydrophobicContact CG2-CG 3.46Å; V35-E71 VanDerWaalsContact CG2-CG 3.46Å; E71-N73 VanDerWaalsContact C-N 3.27Å; E71-N73 PolarHBondContact O-N 3.23Å; E71-I74 PolarHBondContact O-N 3.01Å
72S62.9Low63.3Low99 Ų9970.2 Ų70.269%0.69241%0.409SS*.G310 helixtrans-65.7-22.3179.556.50000114.9M70M70-S72 PolarHBondContact O-N 2.99Å; M70-S72 VanDerWaalsContact O-N 3.12Å
73N65.2Low65.2Low55 Ų5565.2 Ų65.229%0.29438%0.384SS..G310 helixtrans-91-12.2-176.9-71.5-29.6000113F57 R60 M70 E71 V75F57-N73 HydrophobicContact CE2-CB 3.94Å; F57-N73 HydrophobicContact CZ-CB 3.84Å; R60-N73 PolarHBondContact NH2-OD1 2.65Å; M70-N73 PolarHBondContact O-N 3.45Å; E71-N73 VanDerWaalsContact C-N 3.27Å; E71-N73 PolarHBondContact O-N 3.23Å; N73-V75 PolarHBondContact O-N 3.43Å
74I69.4Low67.1Low11 Ų1162.5 Ų62.56%0.05637%0.37CS..  trans-83.8107.7-174.7-47.5176.2000107.3F12 V14 I34 V35 I38 F57 E71F12-I74 HydrophobicContact CE1-CG2 3.63Å; F12-I74 HydrophobicContact CZ-CB 4.12Å; F12-I74 HydrophobicContact CZ-CG2 3.57Å; F12-I74 VanDerWaalsContact CZ-O 3.27Å; F12-I74 WeakPolarHBondContact CZ-O 3.21Å; V14-I74 HydrophobicContact CG2-CG2 4.02Å; I34-I74 HydrophobicContact CB-CD1 4.48Å; I34-I74 HydrophobicContact CG2-CB 4.02Å; I34-I74 HydrophobicContact CG2-CD1 3.63Å; I34-I74 HydrophobicContact CG2-CG1 4.4Å; I34-I74 HydrophobicContact CG2-CG2 3.92Å; V35-I74 HydrophobicContact CG2-CD1 3.59Å; I38-I74 HydrophobicContact CD1-CD1 3.82Å; I38-I74 HydrophobicContact CD1-CG2 3.92Å; F57-I74 HydrophobicContact CZ-CG1 3.9Å; E71-I74 PolarHBondContact O-N 3.01Å
75V69.9Low68.8Low98 Ų9858 Ų5859%0.59435%0.351SS*.  trans-97.8150.1176.1-175.30000109.2N73 G77 S78N73-V75 PolarHBondContact O-N 3.43Å; V75-G77 PolarHBondContact O-N 3.39Å; V75-S78 WeakPolarHBondContact O-CB 3.35Å; V75-S78 PolarHBondContact O-N 3.02Å; V75-S78 PolarHBondContact O-OG 3.49Å
76N71.6Confident70.8Confident96 Ų9660.8 Ų60.851%0.51336%0.357SS..THydrogen-bonded Turntrans-60.7125174-172.112.7000109.8F12 R13F12-N76 HydrophobicContact CD2-CB 3.74Å; F12-N76 HydrophobicContact CE2-CB 3.9Å; F12-N76 HydrophobicContact CG-CB 4.48Å; R13-N76 PolarHBondContact N-OD1 2.98Å; R13-N76 PolarHBondContact O-OD1 3.33Å
77G73.7Confident72.4Confident36 Ų3658.8 Ų58.837%0.37134%0.343SS..THydrogen-bonded Turntrans88.12.7-173.800000114.7R13 V75R13-G77 PolarHBondContact O-N 3.45Å; V75-G77 PolarHBondContact O-N 3.39Å
78S77.6Confident74.2Confident17 Ų1756.6 Ų56.612%0.11933%0.326CS..  trans-61.7147.8175.254.50000112.1V14 F15 V75V14-S78 WeakPolarHBondContact CG1-O 3.46Å; F15-S78 PolarHBondContact N-O 2.88Å; V75-S78 WeakPolarHBondContact O-CB 3.35Å; V75-S78 PolarHBondContact O-N 3.02Å; V75-S78 PolarHBondContact O-OG 3.49Å
79T78.4Confident75.6Confident41 Ų4154.2 Ų54.225%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-103.8113.7177.3520000109.7F15 I58F15-T79 HydrophobicContact CB-CG2 3.98Å; F15-T79 HydrophobicContact CD2-CG2 4.48Å; F15-T79 CarbonylContact O-C 3.58Å; F15-T79 WeakPolarHBondContact O-CA 3.46Å; I58-T79 HydrophobicContact CD1-CG2 4.37Å; I58-T79 PolarHBondContact N-O 2.62Å; I58-T79 VanDerWaalsContact N-O 3.07Å
80L79.5Confident76.7Confident0 Ų056.8 Ų56.80%032%0.322CS..EExtended strand (participates in β ladder)trans-94.8149.1172.5-60.6-178.2000109.7V14 F15 I16 S17 I38 V55 N56 F57 L69V14-L80 HydrophobicContact CG1-CB 4.38Å; V14-L80 HydrophobicContact CG1-CD1 3.57Å; V14-L80 HydrophobicContact CG1-CG 3.63Å; F15-L80 PolarHBondContact O-N 3.2Å; I16-L80 CarbonylContact C-O 3.4Å; I16-L80 WeakPolarHBondContact CA-O 3.4Å; S17-L80 PolarHBondContact N-O 3.35Å; S17-L80 PolarHBondContact OG-O 3.3Å; I38-L80 HydrophobicContact CD1-CD1 4.22Å; I38-L80 HydrophobicContact CG2-CD1 3.73Å; V55-L80 HydrophobicContact CG1-CB 3.87Å; V55-L80 HydrophobicContact CG1-CD1 3.86Å; V55-L80 HydrophobicContact CG1-CG 4.34Å; N56-L80 CarbonylContact O-C 3.53Å; N56-L80 VanDerWaalsContact O-CA 3.27Å; N56-L80 WeakPolarHBondContact O-CA 3.35Å; F57-L80 HydrophobicContact CD1-CD2 3.46Å; F57-L80 VanDerWaalsContact CD1-CD2 3.46Å; F57-L80 HydrophobicContact CD2-CD2 4.43Å; F57-L80 HydrophobicContact CE1-CD2 3.47Å; F57-L80 VanDerWaalsContact CE1-CD2 3.47Å; F57-L80 HydrophobicContact CE2-CD2 4.43Å; F57-L80 HydrophobicContact CG-CD2 3.98Å; F57-L80 HydrophobicContact CZ-CD2 3.99Å; L69-L80 HydrophobicContact CD2-CD1 4.5Å; L69-L80 HydrophobicContact CD2-CD2 3.88Å
81H81.7Confident78Confident52 Ų5251.7 Ų51.724%0.24130%0.297CS..EExtended strand (participates in β ladder)trans-121.7125.1177-172.4-88.9000109.7S17 F19 V55 N56 I58 T83S17-H81 CarbonylContact O-C 3.52Å; S17-H81 WeakPolarHBondContact O-CA 3.33Å; S17-H81 PolarHBondContact OG-CD2 3.36Å; S17-H81 VanDerWaalsContact OG-CD2 3.29Å; F19-H81 PolarHBondContact N-NE2 3.18Å; V55-H81 WeakPolarHBondContact CA-O 3.5Å; N56-H81 PolarHBondContact N-O 2.96Å; N56-H81 PolarHBondContact O-N 3.38Å; I58-H81 HydrophobicContact CG1-CB 3.82Å; H81-T83 VanDerWaalsContact ND1-CG2 3.28Å; H81-T83 WeakPolarHBondContact ND1-CG2 3.19Å
82V82.1Confident79.2Confident1 Ų147 Ų471%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-92.6122175.1-176.20000109.2I16 S17 F19 V42 F46 M53 H54 V55I16-V82 HydrophobicContact CG2-CG2 3.43Å; I16-V82 VanDerWaalsContact CG2-CG2 3.43Å; S17-V82 PolarHBondContact O-N 3.33Å; F19-V82 PolarHBondContact N-O 2.94Å; V42-V82 HydrophobicContact CG1-CG2 3.76Å; F46-V82 HydrophobicContact CD2-CG2 4.26Å; F46-V82 HydrophobicContact CE2-CB 4.45Å; F46-V82 HydrophobicContact CE2-CG2 3.76Å; F46-V82 HydrophobicContact CZ-CG2 4.3Å; M53-V82 HydrophobicContact CB-CG1 4.05Å; M53-V82 HydrophobicContact CG-CG1 4Å; M53-V82 HydrophobicContact SD-CG1 3.84Å; H54-V82 CarbonylContact O-C 3.5Å; H54-V82 WeakPolarHBondContact O-CA 3.44Å; V55-V82 HydrophobicContact CG2-CG2 4.24Å
83T82.2Confident80.5Confident40 Ų4047.3 Ų47.325%0.24526%0.264CS..EExtended strand (participates in β ladder)trans-111153.1173590000110.2H54 H81H54-T83 WeakPolarHBondContact CB-OG1 3.37Å; H54-T83 PolarHBondContact N-O 3.38Å; H54-T83 PolarHBondContact O-N 2.94Å; H54-T83 PolarHBondContact O-OG1 2.82Å; H81-T83 VanDerWaalsContact ND1-CG2 3.28Å; H81-T83 WeakPolarHBondContact ND1-CG2 3.19Å
84T83.2Confident81.6Confident10 Ų1044.7 Ų44.76%0.06125%0.25CC..  trans-137.3162.9176.464.60000109.4F19 I48 M53 K86 E89 F92F19-T84 HydrophobicContact CE1-CG2 3.83Å; F19-T84 VanDerWaalsContact CE1-OG1 3.25Å; F19-T84 WeakPolarHBondContact CE1-OG1 3.25Å; F19-T84 WeakPolarHBondContact CZ-OG1 3.5Å; I48-T84 HydrophobicContact CD1-CG2 4.11Å; M53-T84 HydrophobicContact CG-CG2 4.36Å; T84-K86 PolarHBondContact O-N 2.97Å; T84-E89 VanDerWaalsContact OG1-CG 3.27Å; T84-E89 WeakPolarHBondContact OG1-CG 3.11Å; T84-F92 HydrophobicContact CG2-CE2 4.21Å
85P83.3Confident82.5Confident58 Ų5844.2 Ų44.238%0.37725%0.247SC..  trans-56.8137.7174.6-24.232.6000111.7L52 S87 L88 E89L52-P85 WeakPolarHBondContact O-CD 3.26Å; P85-S87 PolarHBondContact O-N 3.29Å; P85-L88 HydrophobicContact CG-CD1 4.46Å; P85-L88 WeakPolarHBondContact O-CA 3.29Å; P85-L88 WeakPolarHBondContact O-CB 3.45Å; P85-L88 PolarHBondContact O-N 3.23Å; P85-E89 PolarHBondContact O-N 3.46Å
86K83.1Confident83.4Confident175 Ų17542.6 Ų42.676%0.76123%0.234SC*.Hα-helixtrans-48.2-35.4-177.8-69.1-177.9179.2178.20114.2T84 L88 E89 V90T84-K86 PolarHBondContact O-N 2.97Å; K86-L88 VanDerWaalsContact C-N 3.33Å; K86-L88 PolarHBondContact O-N 3.37Å; K86-E89 WeakPolarHBondContact O-CB 3.49Å; K86-E89 PolarHBondContact O-N 3.42Å; K86-V90 WeakPolarHBondContact O-CG2 3.41Å; K86-V90 PolarHBondContact O-N 3.01Å
87S83.1Confident84.2Confident63 Ų6342.3 Ų42.344%0.44124%0.237SC..Hα-helixtrans-65.3-33.9177.257.70000113.7P85 R134P85-S87 PolarHBondContact O-N 3.29Å; S87-R134 PolarHBondContact O-NH1 3.32Å
88L86.7Confident84.7Confident13 Ų1343.1 Ų43.17%0.06824%0.237CC..Hα-helixtrans-82.1-31.8174-69.7179.2000111.2L52 P85 K86 V90 L91 F92 R134L52-L88 HydrophobicContact CB-CD1 4.05Å; L52-L88 HydrophobicContact CD1-CD1 3.99Å; L52-L88 HydrophobicContact CD2-CD1 4.06Å; L52-L88 HydrophobicContact CG-CD1 4.25Å; P85-L88 HydrophobicContact CG-CD1 4.46Å; P85-L88 WeakPolarHBondContact O-CA 3.29Å; P85-L88 WeakPolarHBondContact O-CB 3.45Å; P85-L88 PolarHBondContact O-N 3.23Å; K86-L88 VanDerWaalsContact C-N 3.33Å; K86-L88 PolarHBondContact O-N 3.37Å; L88-V90 VanDerWaalsContact C-N 3.3Å; L88-V90 PolarHBondContact O-N 3.1Å; L88-L91 HydrophobicContact CD2-CD2 4.13Å; L88-L91 WeakPolarHBondContact O-CA 3.46Å; L88-L91 VanDerWaalsContact O-CB 3.3Å; L88-L91 WeakPolarHBondContact O-CB 3.24Å; L88-L91 PolarHBondContact O-N 3.25Å; L88-F92 HydrophobicContact CB-CD2 4.15Å; L88-F92 HydrophobicContact CB-CE2 3.75Å; L88-F92 HydrophobicContact CB-CZ 4.4Å; L88-F92 WeakPolarHBondContact O-CD2 3.42Å; L88-F92 WeakPolarHBondContact O-CG 3.49Å; L88-F92 PolarHBondContact O-N 3.44Å; L88-R134 HydrophobicContact CD2-CG 4.49Å
89E86.3Confident85.3Confident42 Ų4245.8 Ų45.820%0.19625%0.249CC..Hα-helixtrans-57-45174.3-62.5-173.9162.400112F19 T84 P85 K86 L91 F92 K93F19-E89 HydrophobicContact CD2-CB 3.94Å; F19-E89 HydrophobicContact CD2-CG 3.71Å; F19-E89 HydrophobicContact CE1-CG 4.33Å; F19-E89 VanDerWaalsContact CE2-CA 3.48Å; F19-E89 HydrophobicContact CE2-CB 3.42Å; F19-E89 VanDerWaalsContact CE2-CB 3.42Å; F19-E89 HydrophobicContact CE2-CG 3.45Å; F19-E89 VanDerWaalsContact CE2-CG 3.45Å; F19-E89 HydrophobicContact CG-CG 4.25Å; F19-E89 HydrophobicContact CZ-CB 4.06Å; F19-E89 HydrophobicContact CZ-CG 3.82Å; T84-E89 VanDerWaalsContact OG1-CG 3.27Å; T84-E89 WeakPolarHBondContact OG1-CG 3.11Å; P85-E89 PolarHBondContact O-N 3.46Å; K86-E89 WeakPolarHBondContact O-CB 3.49Å; K86-E89 PolarHBondContact O-N 3.42Å; E89-L91 VanDerWaalsContact C-N 3.27Å; E89-L91 PolarHBondContact O-N 3.14Å; E89-F92 PolarHBondContact O-N 3.39Å; E89-K93 WeakPolarHBondContact O-CB 3.34Å; E89-K93 WeakPolarHBondContact O-CG 3.14Å; E89-K93 PolarHBondContact O-N 2.87Å
90V86.8Confident85.7Confident79 Ų7946.6 Ų46.648%0.47925%0.251SS..Hα-helixtrans-61.8-37.2176.8176.40000111.4K86 L88 S94 N106K86-V90 WeakPolarHBondContact O-CG2 3.41Å; K86-V90 PolarHBondContact O-N 3.01Å; L88-V90 VanDerWaalsContact C-N 3.3Å; L88-V90 PolarHBondContact O-N 3.1Å; V90-S94 WeakPolarHBondContact O-CB 3.3Å; V90-S94 PolarHBondContact O-N 3.08Å; V90-S94 VanDerWaalsContact O-N 3.1Å; V90-S94 PolarHBondContact O-OG 3.34Å; V90-N106 PolarHBondContact O-ND2 2.95Å
91L87.9Confident86.1Confident0 Ų052.3 Ų52.30%028%0.281CS..Hα-helixtrans-64.7-50.7173.8172.958.5000111.6L88 E89 K93 S94 I95 N106 R134 A138L88-L91 HydrophobicContact CD2-CD2 4.13Å; L88-L91 WeakPolarHBondContact O-CA 3.46Å; L88-L91 VanDerWaalsContact O-CB 3.3Å; L88-L91 WeakPolarHBondContact O-CB 3.24Å; L88-L91 PolarHBondContact O-N 3.25Å; E89-L91 VanDerWaalsContact C-N 3.27Å; E89-L91 PolarHBondContact O-N 3.14Å; L91-K93 PolarHBondContact O-N 2.93Å; L91-S94 PolarHBondContact O-N 3.23Å; L91-S94 VanDerWaalsContact O-N 3.12Å; L91-S94 PolarHBondContact O-OG 2.96Å; L91-I95 HydrophobicContact CD1-CD1 3.88Å; L91-I95 HydrophobicContact CD1-CG1 4.21Å; L91-I95 HydrophobicContact CG-CD1 3.96Å; L91-I95 WeakPolarHBondContact O-CG1 3.48Å; L91-I95 PolarHBondContact O-N 3.19Å; L91-N106 HydrophobicContact CD1-CB 4.39Å; L91-R134 VanDerWaalsContact CB-NH2 3.34Å; L91-R134 VanDerWaalsContact CD2-NH2 3.34Å; L91-R134 VanDerWaalsContact CG-NH2 3.3Å; L91-A138 HydrophobicContact CD1-CB 4.25Å; L91-A138 HydrophobicContact CD2-CB 4.03Å
92F89.2Confident86.4Confident0 Ų052.3 Ų52.30%028%0.283CS..Hα-helixtrans-66.9-38.4-176.2-62.6-44.9000111.9F19 L20 I48 T84 L88 E89 S94 I95 I96 T137 F141F19-F92 HydrophobicContact CE1-CD2 4.5Å; F19-F92 HydrophobicContact CZ-CB 4.07Å; F19-F92 AromaticContact CZ-CD2 3.86Å; F19-F92 HydrophobicContact CZ-CD2 3.86Å; F19-F92 HydrophobicContact CZ-CG 4.45Å; L20-F92 HydrophobicContact CD1-CB 3.64Å; L20-F92 HydrophobicContact CD2-CB 4.45Å; I48-F92 HydrophobicContact CD1-CD2 4.1Å; I48-F92 HydrophobicContact CD1-CE1 4.48Å; I48-F92 HydrophobicContact CD1-CE2 3.61Å; I48-F92 HydrophobicContact CD1-CZ 3.83Å; I48-F92 HydrophobicContact CG1-CE1 4.29Å; I48-F92 HydrophobicContact CG1-CE2 4.09Å; I48-F92 HydrophobicContact CG1-CZ 3.76Å; I48-F92 HydrophobicContact CG2-CE2 4.33Å; I48-F92 HydrophobicContact CG2-CZ 4.09Å; T84-F92 HydrophobicContact CG2-CE2 4.21Å; L88-F92 HydrophobicContact CB-CD2 4.15Å; L88-F92 HydrophobicContact CB-CE2 3.75Å; L88-F92 HydrophobicContact CB-CZ 4.4Å; L88-F92 WeakPolarHBondContact O-CD2 3.42Å; L88-F92 WeakPolarHBondContact O-CG 3.49Å; L88-F92 PolarHBondContact O-N 3.44Å; E89-F92 PolarHBondContact O-N 3.39Å; F92-S94 VanDerWaalsContact C-N 3.32Å; F92-S94 PolarHBondContact O-N 2.67Å; F92-I95 HydrophobicContact CD1-CD1 4.23Å; F92-I95 PolarHBondContact O-N 2.84Å; F92-I96 WeakPolarHBondContact O-CG1 3.25Å; F92-I96 PolarHBondContact O-N 2.72Å; F92-T137 HydrophobicContact CE1-CG2 3.98Å; F92-T137 HydrophobicContact CZ-CG2 3.65Å; F92-F141 HydrophobicContact CB-CD1 4.28Å; F92-F141 HydrophobicContact CB-CE1 3.86Å; F92-F141 HydrophobicContact CB-CE2 4.48Å; F92-F141 HydrophobicContact CB-CZ 4.01Å; F92-F141 HydrophobicContact CD1-CB 3.8Å; F92-F141 AromaticContact CD1-CD1 3.45Å; F92-F141 HydrophobicContact CD1-CD1 3.45Å; F92-F141 VanDerWaalsContact CD1-CD1 3.45Å; F92-F141 AromaticContact CD1-CD2 3.77Å; F92-F141 HydrophobicContact CD1-CD2 3.77Å; F92-F141 AromaticContact CD1-CE1 3.92Å; F92-F141 HydrophobicContact CD1-CE1 3.92Å; F92-F141 HydrophobicContact CD1-CE2 4.24Å; F92-F141 AromaticContact CD1-CG 3.38Å; F92-F141 HydrophobicContact CD1-CG 3.38Å; F92-F141 HydrophobicContact CD1-CZ 4.31Å; F92-F141 HydrophobicContact CE1-CB 3.56Å; F92-F141 HydrophobicContact CE1-CD1 4.15Å; F92-F141 AromaticContact CE1-CD2 3.94Å; F92-F141 HydrophobicContact CE1-CD2 3.94Å; F92-F141 AromaticContact CE1-CG 3.62Å; F92-F141 HydrophobicContact CE1-CG 3.62Å; F92-F141 HydrophobicContact CG-CD1 4.22Å; F92-F141 HydrophobicContact CG-CD2 4.31Å; F92-F141 HydrophobicContact CG-CE1 4.23Å; F92-F141 HydrophobicContact CG-CE2 4.36Å; F92-F141 HydrophobicContact CG-CG 4.27Å; F92-F141 HydrophobicContact CG-CZ 4.34Å
93K89.4Confident86.5Confident107 Ų10752.3 Ų52.347%0.46528%0.283SS..Hα-helixtrans-56.9-45.6169.5-73.9-179.9179.2178.90111.3L20 E89 L91 I95 I96 T97L20-K93 HydrophobicContact CD2-CB 4.31Å; L20-K93 HydrophobicContact CD2-CD 4.41Å; L20-K93 HydrophobicContact CD2-CG 3.33Å; E89-K93 WeakPolarHBondContact O-CB 3.34Å; E89-K93 WeakPolarHBondContact O-CG 3.14Å; E89-K93 PolarHBondContact O-N 2.87Å; L91-K93 PolarHBondContact O-N 2.93Å; K93-I95 VanDerWaalsContact C-N 3.32Å; K93-I95 PolarHBondContact O-N 3.22Å; K93-I96 PolarHBondContact O-N 3.21Å; K93-T97 WeakPolarHBondContact O-CG2 3.49Å; K93-T97 PolarHBondContact O-N 3.36Å; K93-T97 PolarHBondContact O-OG1 3.47Å
94S88.8Confident86.7Confident0 Ų053.4 Ų53.40%029%0.287CS..Hα-helixtrans-62.8-36.8177.868.10000113.5V90 L91 F92 T97 S98 I103 N106V90-S94 WeakPolarHBondContact O-CB 3.3Å; V90-S94 PolarHBondContact O-N 3.08Å; V90-S94 VanDerWaalsContact O-N 3.1Å; V90-S94 PolarHBondContact O-OG 3.34Å; L91-S94 PolarHBondContact O-N 3.23Å; L91-S94 VanDerWaalsContact O-N 3.12Å; L91-S94 PolarHBondContact O-OG 2.96Å; F92-S94 VanDerWaalsContact C-N 3.32Å; F92-S94 PolarHBondContact O-N 2.67Å; S94-T97 WeakPolarHBondContact CA-OG1 3.35Å; S94-T97 PolarHBondContact O-N 3.15Å; S94-T97 PolarHBondContact O-OG1 3.05Å; S94-S98 PolarHBondContact O-N 3.48Å; S94-I103 WeakPolarHBondContact O-CG1 3.22Å; S94-N106 WeakPolarHBondContact CB-ND2 3.35Å; S94-N106 PolarHBondContact OG-ND2 3.48Å
95I88.5Confident86.8Confident0 Ų061.4 Ų61.40%032%0.316CS..Hα-helixtrans-66.8-42.7176.4-66.9165.1000110.9L91 F92 K93 T97 S98 I103 A138 F141 A142 L145 L147 V150L91-I95 HydrophobicContact CD1-CD1 3.88Å; L91-I95 HydrophobicContact CD1-CG1 4.21Å; L91-I95 HydrophobicContact CG-CD1 3.96Å; L91-I95 WeakPolarHBondContact O-CG1 3.48Å; L91-I95 PolarHBondContact O-N 3.19Å; F92-I95 HydrophobicContact CD1-CD1 4.23Å; F92-I95 PolarHBondContact O-N 2.84Å; K93-I95 VanDerWaalsContact C-N 3.32Å; K93-I95 PolarHBondContact O-N 3.22Å; I95-T97 PolarHBondContact O-N 2.82Å; I95-S98 WeakPolarHBondContact O-CA 3.49Å; I95-S98 PolarHBondContact O-N 3.09Å; I95-I103 HydrophobicContact CG1-CG1 4.18Å; I95-A138 HydrophobicContact CD1-CB 3.82Å; I95-F141 HydrophobicContact CB-CD1 4.09Å; I95-F141 HydrophobicContact CB-CE1 4.26Å; I95-F141 HydrophobicContact CD1-CD1 3.96Å; I95-F141 HydrophobicContact CG2-CD1 3.81Å; I95-F141 HydrophobicContact CG2-CE1 4.13Å; I95-A142 HydrophobicContact CG2-CB 4.11Å; I95-L145 HydrophobicContact CG2-CD1 4.17Å; I95-L147 HydrophobicContact CG2-CD1 3.83Å; I95-L147 WeakPolarHBondContact O-CD1 3.47Å; I95-V150 HydrophobicContact CG2-CG1 4.21Å
96I87.6Confident86.8Confident64 Ų6459.7 Ų59.733%0.32830%0.303SS..Hα-helixtrans-61.7-44.6176.6-71.5175.5000111L20 L22 F92 K93 S98 F141 L145L20-I96 HydrophobicContact CB-CD1 3.54Å; L20-I96 HydrophobicContact CD1-CD1 3.48Å; L20-I96 VanDerWaalsContact CD1-CD1 3.48Å; L20-I96 HydrophobicContact CD2-CD1 3.88Å; L20-I96 HydrophobicContact CG-CD1 3.8Å; L22-I96 HydrophobicContact CD1-CD1 4.02Å; L22-I96 HydrophobicContact CG-CD1 4.41Å; F92-I96 WeakPolarHBondContact O-CG1 3.25Å; F92-I96 PolarHBondContact O-N 2.72Å; K93-I96 PolarHBondContact O-N 3.21Å; I96-S98 PolarHBondContact O-N 3.35Å; I96-S98 VanDerWaalsContact O-N 3.08Å; I96-F141 HydrophobicContact CD1-CE1 4.47Å; I96-F141 HydrophobicContact CD1-CZ 4.22Å; I96-F141 HydrophobicContact CG1-CE1 4.09Å; I96-F141 HydrophobicContact CG1-CZ 4.29Å; I96-L145 HydrophobicContact CG1-CD1 3.77Å
97T88.8Confident86.7Confident91 Ų9151.3 Ų51.356%0.55827%0.267SS*.THydrogen-bonded Turntrans-64.8-12.1176.355.60000113.3K93 S94 I95 D99K93-T97 WeakPolarHBondContact O-CG2 3.49Å; K93-T97 PolarHBondContact O-N 3.36Å; K93-T97 PolarHBondContact O-OG1 3.47Å; S94-T97 WeakPolarHBondContact CA-OG1 3.35Å; S94-T97 PolarHBondContact O-N 3.15Å; S94-T97 PolarHBondContact O-OG1 3.05Å; I95-T97 PolarHBondContact O-N 2.82Å; T97-D99 PolarHBondContact O-N 3.25Å
98S85Confident86.4Confident53 Ų5351.7 Ų51.737%0.37126%0.264SS..THydrogen-bonded Turntrans53.323.3-176.1-60.30000113.8S94 I95 I96 M100S94-S98 PolarHBondContact O-N 3.48Å; I95-S98 WeakPolarHBondContact O-CA 3.49Å; I95-S98 PolarHBondContact O-N 3.09Å; I96-S98 PolarHBondContact O-N 3.35Å; I96-S98 VanDerWaalsContact O-N 3.08Å; S98-M100 PolarHBondContact O-N 3.39Å
99D89.2Confident85.7Confident73 Ų7353.4 Ų53.439%0.3928%0.277SS..  trans-80.2102.5175.4-179.1-4.8000109.5T97 N101 L102 I103T97-D99 PolarHBondContact O-N 3.25Å; D99-N101 VanDerWaalsContact C-N 3.27Å; D99-N101 PolarHBondContact O-N 2.89Å; D99-N101 PolarHBondContact OD1-N 3.3Å; D99-N101 VanDerWaalsContact OD1-N 3.09Å; D99-L102 HydrophobicContact CB-CB 3.95Å; D99-L102 PolarHBondContact O-N 2.95Å; D99-L102 PolarHBondContact OD1-N 3.11Å; D99-I103 WeakPolarHBondContact O-CD1 3.38Å; D99-I103 WeakPolarHBondContact O-CG1 3.32Å; D99-I103 PolarHBondContact O-N 3.42Å
100M88.2Confident84.7Confident57 Ų5758.6 Ų58.628%0.28130%0.299SS..Hα-helixtrans-57.9-38.4-176.3-57.2-49.8-6100113S98 I103 I104 V150 T153S98-M100 PolarHBondContact O-N 3.39Å; M100-I103 PolarHBondContact O-N 3.27Å; M100-I103 HydrophobicContact SD-CD1 4.19Å; M100-I104 WeakPolarHBondContact O-CB 3.42Å; M100-I104 WeakPolarHBondContact O-CD1 3.33Å; M100-I104 WeakPolarHBondContact O-CG1 3.47Å; M100-I104 PolarHBondContact O-N 2.91Å; M100-V150 HydrophobicContact SD-CG2 4.15Å; M100-T153 VanDerWaalsContact CE-CB 3.43Å; M100-T153 HydrophobicContact CE-CG2 3.2Å; M100-T153 WeakPolarHBondContact CE-OG1 3.38Å
101N87.9Confident83.2Confident120 Ų12062 Ų6264%0.64231%0.307SS*.Hα-helixtrans-68.4-41.5-178.9-71.3-32.7000110.7D99 R105D99-N101 VanDerWaalsContact C-N 3.27Å; D99-N101 PolarHBondContact O-N 2.89Å; D99-N101 PolarHBondContact OD1-N 3.3Å; D99-N101 VanDerWaalsContact OD1-N 3.09Å; N101-R105 WeakPolarHBondContact O-CB 3.4Å; N101-R105 PolarHBondContact O-N 3.5Å
102L86.7Confident81.7Confident53 Ų5365 Ų6528%0.27732%0.321SS..Hα-helixtrans-68.5-40.3177.3-169.662.3000111.4D99 R105 N106D99-L102 HydrophobicContact CB-CB 3.95Å; D99-L102 PolarHBondContact O-N 2.95Å; D99-L102 PolarHBondContact OD1-N 3.11Å; L102-R105 PolarHBondContact O-N 3.48Å; L102-N106 VanDerWaalsContact O-CB 3.26Å; L102-N106 WeakPolarHBondContact O-CB 3.14Å; L102-N106 PolarHBondContact O-N 2.83Å; L102-N106 PolarHBondContact O-ND2 2.98Å
103I85.6Confident80.1Confident1 Ų169.7 Ų69.71%0.00535%0.351CS..Hα-helixtrans-60.9-48.1175.6-66.8160.5000110.4S94 I95 D99 M100 S107 V150 L154S94-I103 WeakPolarHBondContact O-CG1 3.22Å; I95-I103 HydrophobicContact CG1-CG1 4.18Å; D99-I103 WeakPolarHBondContact O-CD1 3.38Å; D99-I103 WeakPolarHBondContact O-CG1 3.32Å; D99-I103 PolarHBondContact O-N 3.42Å; M100-I103 PolarHBondContact O-N 3.27Å; M100-I103 HydrophobicContact SD-CD1 4.19Å; I103-S107 WeakPolarHBondContact O-CA 3.49Å; I103-S107 WeakPolarHBondContact O-CB 3.28Å; I103-S107 PolarHBondContact O-N 3.47Å; I103-S107 PolarHBondContact O-OG 3.22Å; I103-V150 HydrophobicContact CD1-CG1 3.94Å; I103-V150 HydrophobicContact CD1-CG2 4Å; I103-L154 HydrophobicContact CG2-CD2 4.04Å
104I85.5Confident78.5Confident63 Ų6373.5 Ų73.532%0.32336%0.364SS..Hα-helixtrans-61.6-49.6178.7-67.9161.9000110.2M100 N106 S107 L108 L157M100-I104 WeakPolarHBondContact O-CB 3.42Å; M100-I104 WeakPolarHBondContact O-CD1 3.33Å; M100-I104 WeakPolarHBondContact O-CG1 3.47Å; M100-I104 PolarHBondContact O-N 2.91Å; I104-N106 PolarHBondContact O-N 3.3Å; I104-S107 PolarHBondContact O-N 2.88Å; I104-L108 HydrophobicContact CG2-CD1 3.82Å; I104-L108 WeakPolarHBondContact O-CB 3.42Å; I104-L108 WeakPolarHBondContact O-CG 3.3Å; I104-L108 PolarHBondContact O-N 3.46Å; I104-L157 HydrophobicContact CG1-CD1 4.03Å
105R85.6Confident76.7Confident178 Ų17879.2 Ų79.267%0.67240%0.4SS*.Hα-helixtrans-58.8-49-179.5-178-174.7-66.2160.7-0.4111.6N101 L102 S109N101-R105 WeakPolarHBondContact O-CB 3.4Å; N101-R105 PolarHBondContact O-N 3.5Å; L102-R105 PolarHBondContact O-N 3.48Å; R105-S109 PolarHBondContact O-N 3.49Å; R105-S109 VanDerWaalsContact O-N 3.11Å
106N83.5Confident75Confident21 Ų2184.7 Ų84.711%0.11244%0.439CS..Hα-helixtrans-66-48.7-180-69.4-20.6000109.5V90 L91 S94 L102 I104 L108 S109 R134V90-N106 PolarHBondContact O-ND2 2.95Å; L91-N106 HydrophobicContact CD1-CB 4.39Å; S94-N106 WeakPolarHBondContact CB-ND2 3.35Å; S94-N106 PolarHBondContact OG-ND2 3.48Å; L102-N106 VanDerWaalsContact O-CB 3.26Å; L102-N106 WeakPolarHBondContact O-CB 3.14Å; L102-N106 PolarHBondContact O-N 2.83Å; L102-N106 PolarHBondContact O-ND2 2.98Å; I104-N106 PolarHBondContact O-N 3.3Å; N106-L108 VanDerWaalsContact C-N 3.27Å; N106-L108 PolarHBondContact O-N 3.44Å; N106-S109 VanDerWaalsContact O-CB 3.25Å; N106-S109 WeakPolarHBondContact O-CB 3.45Å; N106-S109 PolarHBondContact O-N 2.87Å; N106-S109 PolarHBondContact O-OG 3.49Å; N106-R134 VanDerWaalsContact C-CZ 3.46Å; N106-R134 PolarHBondContact O-NE 3.37Å; N106-R134 PolarHBondContact O-NH2 3.43Å
107S80.5Confident74Confident0 Ų083 Ų830%044%0.437CS..Hα-helixtrans-54.9-41.2-177.8-64.40000112.7I103 I104 R134I103-S107 WeakPolarHBondContact O-CA 3.49Å; I103-S107 WeakPolarHBondContact O-CB 3.28Å; I103-S107 PolarHBondContact O-N 3.47Å; I103-S107 PolarHBondContact O-OG 3.22Å; I104-S107 PolarHBondContact O-N 2.88Å; S107-R134 PolarHBondContact O-NE 3.31Å; S107-R134 VanDerWaalsContact O-NE 3.12Å
108L77.5Confident72.7Confident70 Ų7084.7 Ų84.737%0.36645%0.449SS..THydrogen-bonded Turntrans-92.65.2179.7-57.4178000113.6I104 N106 K110 I131I104-L108 HydrophobicContact CG2-CD1 3.82Å; I104-L108 WeakPolarHBondContact O-CB 3.42Å; I104-L108 WeakPolarHBondContact O-CG 3.3Å; I104-L108 PolarHBondContact O-N 3.46Å; N106-L108 VanDerWaalsContact C-N 3.27Å; N106-L108 PolarHBondContact O-N 3.44Å; L108-K110 PolarHBondContact O-N 3.33Å; L108-I131 HydrophobicContact CD2-CG2 3.85Å
109S71.4Confident71.8Confident49 Ų4989.8 Ų89.834%0.34347%0.465SS..  trans-60.9122.2-17966.10000110.9R105 N106 F111R105-S109 PolarHBondContact O-N 3.49Å; R105-S109 VanDerWaalsContact O-N 3.11Å; N106-S109 VanDerWaalsContact O-CB 3.25Å; N106-S109 WeakPolarHBondContact O-CB 3.45Å; N106-S109 PolarHBondContact O-N 2.87Å; N106-S109 PolarHBondContact O-OG 3.49Å; S109-F111 PolarHBondContact O-N 2.83Å
110K64.9Low70.8Confident151 Ų15191.1 Ų91.166%0.65747%0.471SS*.  trans-86.391.4-178.8-68.9-176.8-175.5-179.90108.7L108 F112L108-K110 PolarHBondContact O-N 3.33Å; K110-F112 HydrophobicContact CB-CD2 3.81Å; K110-F112 HydrophobicContact CB-CE2 4.02Å; K110-F112 PolarHBondContact O-N 2.88Å
111F56.1Low69.8Low152 Ų15292.5 Ų92.567%0.66749%0.487SS*.  trans-81.699.3169.3-174.3-93.7000109.5S109 Y130S109-F111 PolarHBondContact O-N 2.83Å; F111-Y130 HydrophobicContact CB-CE1 4.35Å
112F56.4Low68.7Low63 Ų6390.4 Ų90.428%0.27647%0.474SS..  trans-140.5124.6177.6-67-81.3000112.6K110 Q127 Y130K110-F112 HydrophobicContact CB-CD2 3.81Å; K110-F112 HydrophobicContact CB-CE2 4.02Å; K110-F112 PolarHBondContact O-N 2.88Å; F112-Q127 HydrophobicContact CD1-CG 3.85Å; F112-Q127 HydrophobicContact CD2-CG 3.73Å; F112-Q127 HydrophobicContact CE1-CB 4.33Å; F112-Q127 HydrophobicContact CE1-CG 3.45Å; F112-Q127 VanDerWaalsContact CE1-CG 3.45Å; F112-Q127 HydrophobicContact CE2-CB 4.2Å; F112-Q127 HydrophobicContact CE2-CG 3.36Å; F112-Q127 HydrophobicContact CG-CG 4.01Å; F112-Q127 VanDerWaalsContact CZ-CA 3.49Å; F112-Q127 HydrophobicContact CZ-CB 3.89Å; F112-Q127 HydrophobicContact CZ-CG 3.24Å; F112-Y130 HydrophobicContact CZ-CD1 4.25Å; F112-Y130 HydrophobicContact CZ-CG 4.3Å
113P56.3Low67.9Low97 Ų9789.2 Ų89.263%0.6347%0.472SS*.  trans-92.72.7173.234.7-31.9000114
114Y55.1Low67.5Low188 Ų18892 Ų9274%0.73749%0.489SS*.PPolyproline II helixtrans-90.8126.3-172.3-66.7-69.6000113.4
115P50.3Low67.3Low119 Ų11994.6 Ų94.677%0.77350%0.498SS*.PPolyproline II helixtrans-73.9152.1174-7.523.7000112.3
116S53.9Low66.9Low116 Ų11692.8 Ų92.881%0.81149%0.492SS*.SBendtrans-52.4127.6175.546.90000113.2
117G66.7Low66.7Low27 Ų2794.1 Ų94.128%0.27850%0.497SS..SBendtrans-174.5-171177.300000112.4F119 I120G117-F119 PolarHBondContact O-N 3.33Å; G117-I120 VanDerWaalsContact O-CD1 3.28Å; G117-I120 WeakPolarHBondContact O-CD1 3.2Å; G117-I120 WeakPolarHBondContact O-CG1 3.43Å; G117-I120 PolarHBondContact O-N 3.49Å
118P61.5Low66.7Low127 Ų127100.3 Ų100.383%0.82553%0.527SS*.THydrogen-bonded Turntrans-59-8.5-177.322-32000114.8I120P118-I120 VanDerWaalsContact C-N 3.34Å
119F65.5Low67.1Low161 Ų161101.1 Ų101.171%0.70653%0.531SS*.THydrogen-bonded Turntrans-84.16.7171.1-71.6-88.3000114.7G117 S121 M122 A123G117-F119 PolarHBondContact O-N 3.33Å; F119-S121 VanDerWaalsContact C-N 3.28Å; F119-S121 PolarHBondContact O-N 2.91Å; F119-M122 PolarHBondContact O-N 3.12Å; F119-M122 VanDerWaalsContact O-N 3.09Å; F119-A123 WeakPolarHBondContact O-CB 3.49Å; F119-A123 PolarHBondContact O-N 2.99Å
120I67.1Low67.7Low100 Ų100102.1 Ų102.151%0.51353%0.528SS..Hα-helixtrans-51.3-45.9179.2-74.8151000111.7G117 P118 M122 A123 T124G117-I120 VanDerWaalsContact O-CD1 3.28Å; G117-I120 WeakPolarHBondContact O-CD1 3.2Å; G117-I120 WeakPolarHBondContact O-CG1 3.43Å; G117-I120 PolarHBondContact O-N 3.49Å; P118-I120 VanDerWaalsContact C-N 3.34Å; I120-M122 VanDerWaalsContact C-N 3.34Å; I120-M122 PolarHBondContact O-N 3.28Å; I120-A123 PolarHBondContact O-N 3.44Å; I120-T124 HydrophobicContact CG2-CG2 4.26Å; I120-T124 VanDerWaalsContact O-CG2 3.3Å; I120-T124 WeakPolarHBondContact O-CG2 3.32Å; I120-T124 PolarHBondContact O-N 3.12Å; I120-T124 PolarHBondContact O-OG1 2.84Å
121S69Low68.7Low87 Ų8796.5 Ų96.561%0.60851%0.505SS*.Hα-helixtrans-60-45.218059.10000111.6F119 T124 K125F119-S121 VanDerWaalsContact C-N 3.28Å; F119-S121 PolarHBondContact O-N 2.91Å; S121-T124 PolarHBondContact O-N 3.26Å; S121-T124 PolarHBondContact O-OG1 2.85Å; S121-K125 PolarHBondContact O-N 3.48Å
122M64.8Low70.3Confident75 Ų7591 Ų9137%0.36949%0.487SS..Hα-helixtrans-66.2-42.9177.1-159.569-162.700111.6F119 I120 T124 K125 Y126F119-M122 PolarHBondContact O-N 3.12Å; F119-M122 VanDerWaalsContact O-N 3.09Å; I120-M122 VanDerWaalsContact C-N 3.34Å; I120-M122 PolarHBondContact O-N 3.28Å; M122-T124 VanDerWaalsContact C-N 3.31Å; M122-T124 PolarHBondContact O-N 3.06Å; M122-K125 PolarHBondContact O-N 3.21Å; M122-Y126 HydrophobicContact CE-CD2 4.09Å; M122-Y126 HydrophobicContact CE-CE1 4.28Å; M122-Y126 HydrophobicContact CE-CE2 3.26Å; M122-Y126 VanDerWaalsContact CE-OH 3.27Å; M122-Y126 WeakPolarHBondContact CE-OH 3.46Å; M122-Y126 HydrophobicContact CG-CD2 3.8Å; M122-Y126 HydrophobicContact CG-CE2 3.39Å; M122-Y126 WeakPolarHBondContact O-CD2 3.48Å; M122-Y126 PolarHBondContact O-N 2.92Å; M122-Y126 HydrophobicContact SD-CE2 4.16Å
123A69.2Low71.8Confident29 Ų2991.1 Ų91.124%0.2450%0.496CS..Hα-helixtrans-59.2-40.817600000111.7F119 I120 Y126 Q127F119-A123 WeakPolarHBondContact O-CB 3.49Å; F119-A123 PolarHBondContact O-N 2.99Å; I120-A123 PolarHBondContact O-N 3.44Å; A123-Y126 PolarHBondContact O-N 3.44Å; A123-Q127 WeakPolarHBondContact O-CB 3.29Å; A123-Q127 WeakPolarHBondContact O-CG 3.44Å; A123-Q127 PolarHBondContact O-N 3.38Å
124T76Confident73.3Confident58 Ų5887 Ų8736%0.35647%0.468SS..Hα-helixtrans-66.6-37.8177.959.20000113I120 S121 M122 Q127 Q128I120-T124 HydrophobicContact CG2-CG2 4.26Å; I120-T124 VanDerWaalsContact O-CG2 3.3Å; I120-T124 WeakPolarHBondContact O-CG2 3.32Å; I120-T124 PolarHBondContact O-N 3.12Å; I120-T124 PolarHBondContact O-OG1 2.84Å; S121-T124 PolarHBondContact O-N 3.26Å; S121-T124 PolarHBondContact O-OG1 2.85Å; M122-T124 VanDerWaalsContact C-N 3.31Å; M122-T124 PolarHBondContact O-N 3.06Å; T124-Q127 WeakPolarHBondContact O-CB 3.2Å; T124-Q127 PolarHBondContact O-N 3.35Å; T124-Q128 WeakPolarHBondContact O-CG 3.31Å; T124-Q128 PolarHBondContact O-N 2.87Å
125K81.4Confident75Confident118 Ų11878.3 Ų78.351%0.51343%0.434SS..Hα-helixtrans-65.3-49.4175.3-176.2-179.7176.7-177.20111.1S121 M122 Q127 Q128 D129S121-K125 PolarHBondContact O-N 3.48Å; M122-K125 PolarHBondContact O-N 3.21Å; K125-Q127 PolarHBondContact O-N 3.38Å; K125-Q128 PolarHBondContact O-N 2.95Å; K125-Q128 VanDerWaalsContact O-N 3.11Å; K125-D129 PolarHBondContact O-N 3.12Å
126Y78.6Confident77.1Confident140 Ų14074.2 Ų74.255%0.54941%0.406SS..Hα-helixtrans-58.8-35.8175.2-75.6-62.5000112.3M122 A123 Y130M122-Y126 HydrophobicContact CE-CD2 4.09Å; M122-Y126 HydrophobicContact CE-CE1 4.28Å; M122-Y126 HydrophobicContact CE-CE2 3.26Å; M122-Y126 VanDerWaalsContact CE-OH 3.27Å; M122-Y126 WeakPolarHBondContact CE-OH 3.46Å; M122-Y126 HydrophobicContact CG-CD2 3.8Å; M122-Y126 HydrophobicContact CG-CE2 3.39Å; M122-Y126 WeakPolarHBondContact O-CD2 3.48Å; M122-Y126 PolarHBondContact O-N 2.92Å; M122-Y126 HydrophobicContact SD-CE2 4.16Å; A123-Y126 PolarHBondContact O-N 3.44Å; Y126-Y130 VanDerWaalsContact O-CB 3.25Å; Y126-Y130 WeakPolarHBondContact O-CB 3.12Å; Y126-Y130 PolarHBondContact O-N 3.47Å
127Q78.4Confident78.8Confident49 Ų4969.1 Ų69.123%0.22937%0.37CS..Hα-helixtrans-60.3-48.8173.3-80.1171.1-3.400112.6F112 A123 T124 K125 Y130 I131F112-Q127 HydrophobicContact CD1-CG 3.85Å; F112-Q127 HydrophobicContact CD2-CG 3.73Å; F112-Q127 HydrophobicContact CE1-CB 4.33Å; F112-Q127 HydrophobicContact CE1-CG 3.45Å; F112-Q127 VanDerWaalsContact CE1-CG 3.45Å; F112-Q127 HydrophobicContact CE2-CB 4.2Å; F112-Q127 HydrophobicContact CE2-CG 3.36Å; F112-Q127 HydrophobicContact CG-CG 4.01Å; F112-Q127 VanDerWaalsContact CZ-CA 3.49Å; F112-Q127 HydrophobicContact CZ-CB 3.89Å; F112-Q127 HydrophobicContact CZ-CG 3.24Å; A123-Q127 WeakPolarHBondContact O-CB 3.29Å; A123-Q127 WeakPolarHBondContact O-CG 3.44Å; A123-Q127 PolarHBondContact O-N 3.38Å; T124-Q127 WeakPolarHBondContact O-CB 3.2Å; T124-Q127 PolarHBondContact O-N 3.35Å; K125-Q127 PolarHBondContact O-N 3.38Å; Q127-Y130 PolarHBondContact O-N 3Å; Q127-I131 WeakPolarHBondContact O-CB 3.22Å; Q127-I131 WeakPolarHBondContact O-CD1 3.26Å; Q127-I131 VanDerWaalsContact O-CG1 3.24Å; Q127-I131 WeakPolarHBondContact O-CG1 3.29Å; Q127-I131 PolarHBondContact O-N 3.14Å
128Q81.5Confident80Confident131 Ų13167.9 Ų67.961%0.61236%0.357SS*.Hα-helixtrans-64-43.9179.1-70.6172.4-0.700111.4T124 K125 Y130 I131 A132T124-Q128 WeakPolarHBondContact O-CG 3.31Å; T124-Q128 PolarHBondContact O-N 2.87Å; K125-Q128 PolarHBondContact O-N 2.95Å; K125-Q128 VanDerWaalsContact O-N 3.11Å; Q128-Y130 PolarHBondContact O-N 3.37Å; Q128-I131 PolarHBondContact O-N 2.94Å; Q128-A132 VanDerWaalsContact O-CB 3.22Å; Q128-A132 WeakPolarHBondContact O-CB 3.41Å; Q128-A132 PolarHBondContact O-N 3.33Å
129D84.9Confident81.5Confident87 Ų8761.8 Ų61.847%0.46532%0.318SS..Hα-helixtrans-64.1-40.5178.5-68.4-21.1000111.6K125 A132 S133K125-D129 PolarHBondContact O-N 3.12Å; D129-A132 PolarHBondContact O-N 2.88Å; D129-S133 VanDerWaalsContact O-CB 3.3Å; D129-S133 WeakPolarHBondContact O-CB 3.43Å; D129-S133 PolarHBondContact O-N 3.41Å
130Y85Confident82.8Confident70 Ų7054.4 Ų54.428%0.27529%0.285SS..Hα-helixtrans-63.2-48.5175.4179.7-96000111.9F111 F112 Y126 Q127 Q128 A132 S133 R134F111-Y130 HydrophobicContact CB-CE1 4.35Å; F112-Y130 HydrophobicContact CZ-CD1 4.25Å; F112-Y130 HydrophobicContact CZ-CG 4.3Å; Y126-Y130 VanDerWaalsContact O-CB 3.25Å; Y126-Y130 WeakPolarHBondContact O-CB 3.12Å; Y126-Y130 PolarHBondContact O-N 3.47Å; Q127-Y130 PolarHBondContact O-N 3Å; Q128-Y130 PolarHBondContact O-N 3.37Å; Y130-A132 VanDerWaalsContact C-N 3.35Å; Y130-A132 PolarHBondContact O-N 3.04Å; Y130-S133 PolarHBondContact O-N 3.27Å; Y130-R134 HydrophobicContact CE1-CG 4.38Å; Y130-R134 PolarHBondContact O-N 3.32Å
131I85.3Confident83.8Confident32 Ų3249.7 Ų49.716%0.16426%0.261CS..Hα-helixtrans-62.6-44.2178-68164.7000110.2L108 Q127 Q128 S133 R134 L135L108-I131 HydrophobicContact CD2-CG2 3.85Å; Q127-I131 WeakPolarHBondContact O-CB 3.22Å; Q127-I131 WeakPolarHBondContact O-CD1 3.26Å; Q127-I131 VanDerWaalsContact O-CG1 3.24Å; Q127-I131 WeakPolarHBondContact O-CG1 3.29Å; Q127-I131 PolarHBondContact O-N 3.14Å; Q128-I131 PolarHBondContact O-N 2.94Å; I131-S133 PolarHBondContact O-N 2.87Å; I131-R134 WeakPolarHBondContact O-CB 3.29Å; I131-R134 PolarHBondContact O-N 3.43Å; I131-L135 HydrophobicContact CG2-CD1 3.91Å; I131-L135 HydrophobicContact CG2-CG 4.36Å; I131-L135 WeakPolarHBondContact O-CB 3.4Å; I131-L135 WeakPolarHBondContact O-CG 3.49Å; I131-L135 PolarHBondContact O-N 3.41Å
132A88.6Confident84.9Confident36 Ų3645.5 Ų45.530%0.29823%0.232SC..Hα-helixtrans-60.4-44.4176.700000111.5Q128 D129 Y130 R134 L135 N136Q128-A132 VanDerWaalsContact O-CB 3.22Å; Q128-A132 WeakPolarHBondContact O-CB 3.41Å; Q128-A132 PolarHBondContact O-N 3.33Å; D129-A132 PolarHBondContact O-N 2.88Å; Y130-A132 VanDerWaalsContact C-N 3.35Å; Y130-A132 PolarHBondContact O-N 3.04Å; A132-R134 PolarHBondContact O-N 3.48Å; A132-L135 PolarHBondContact O-N 3.38Å; A132-N136 WeakPolarHBondContact O-CB 3.18Å; A132-N136 PolarHBondContact O-N 3.01Å; A132-N136 PolarHBondContact O-ND2 3.12Å; A132-N136 VanDerWaalsContact O-ND2 3.12Å; A132-N136 PolarHBondContact O-OD1 2.69Å
133S88.2Confident86.1Confident67 Ų6742 Ų4247%0.46921%0.214SC..Hα-helixtrans-62.1-41.6176.5-175.30000112.5D129 Y130 I131 N136 T137D129-S133 VanDerWaalsContact O-CB 3.3Å; D129-S133 WeakPolarHBondContact O-CB 3.43Å; D129-S133 PolarHBondContact O-N 3.41Å; Y130-S133 PolarHBondContact O-N 3.27Å; I131-S133 PolarHBondContact O-N 2.87Å; S133-N136 PolarHBondContact O-N 3.48Å; S133-T137 WeakPolarHBondContact O-CB 3.09Å; S133-T137 PolarHBondContact O-N 3.09Å; S133-T137 PolarHBondContact O-OG1 3.48Å
134R89.1Confident86.9Confident9 Ų940.7 Ų40.73%0.03420%0.204CC..Hα-helixtrans-61.8-48.3173.1-103.7-173.169.280.512.5112.2S87 L88 L91 N106 S107 Y130 I131 A132 N136 T137 A138S87-R134 PolarHBondContact O-NH1 3.32Å; L88-R134 HydrophobicContact CD2-CG 4.49Å; L91-R134 VanDerWaalsContact CB-NH2 3.34Å; L91-R134 VanDerWaalsContact CD2-NH2 3.34Å; L91-R134 VanDerWaalsContact CG-NH2 3.3Å; N106-R134 VanDerWaalsContact C-CZ 3.46Å; N106-R134 PolarHBondContact O-NE 3.37Å; N106-R134 PolarHBondContact O-NH2 3.43Å; S107-R134 PolarHBondContact O-NE 3.31Å; S107-R134 VanDerWaalsContact O-NE 3.12Å; Y130-R134 HydrophobicContact CE1-CG 4.38Å; Y130-R134 PolarHBondContact O-N 3.32Å; I131-R134 WeakPolarHBondContact O-CB 3.29Å; I131-R134 PolarHBondContact O-N 3.43Å; A132-R134 PolarHBondContact O-N 3.48Å; R134-N136 VanDerWaalsContact C-N 3.33Å; R134-N136 PolarHBondContact O-N 3.24Å; R134-T137 PolarHBondContact O-N 2.89Å; R134-A138 WeakPolarHBondContact O-CB 3.36Å; R134-A138 PolarHBondContact O-N 2.91Å
135L90.9Very high87.4Confident6 Ų639.9 Ų39.93%0.03120%0.198CC..Hα-helixtrans-62.8-41.2179.4-76.4172.1000111.6I131 A132 A138 L139 L154 L157 A159I131-L135 HydrophobicContact CG2-CD1 3.91Å; I131-L135 HydrophobicContact CG2-CG 4.36Å; I131-L135 WeakPolarHBondContact O-CB 3.4Å; I131-L135 WeakPolarHBondContact O-CG 3.49Å; I131-L135 PolarHBondContact O-N 3.41Å; A132-L135 PolarHBondContact O-N 3.38Å; L135-A138 WeakPolarHBondContact O-CB 3.41Å; L135-A138 PolarHBondContact O-N 3.18Å; L135-L139 WeakPolarHBondContact O-CB 3.27Å; L135-L139 PolarHBondContact O-N 2.98Å; L135-L154 HydrophobicContact CD2-CD2 3.91Å; L135-L157 HydrophobicContact CD1-CB 4.3Å; L135-L157 WeakPolarHBondContact CD1-O 3.44Å; L135-L157 HydrophobicContact CD2-CB 3.9Å; L135-L157 HydrophobicContact CD2-CD1 4.08Å; L135-A159 HydrophobicContact CB-CB 4.03Å
136N92.5Very high87.6Confident33 Ų3335 Ų3518%0.17618%0.181CC..Hα-helixtrans-62.6-47.4175.4-68.4-20.4000111.2A132 S133 R134 A138 L139 L140 N160 A163A132-N136 WeakPolarHBondContact O-CB 3.18Å; A132-N136 PolarHBondContact O-N 3.01Å; A132-N136 PolarHBondContact O-ND2 3.12Å; A132-N136 VanDerWaalsContact O-ND2 3.12Å; A132-N136 PolarHBondContact O-OD1 2.69Å; S133-N136 PolarHBondContact O-N 3.48Å; R134-N136 VanDerWaalsContact C-N 3.33Å; R134-N136 PolarHBondContact O-N 3.24Å; N136-A138 VanDerWaalsContact C-N 3.34Å; N136-A138 PolarHBondContact O-N 3.46Å; N136-L139 PolarHBondContact O-N 3.5Å; N136-L140 VanDerWaalsContact O-CG 3.28Å; N136-L140 WeakPolarHBondContact O-CG 3.39Å; N136-L140 PolarHBondContact O-N 3.48Å; N136-N160 WeakPolarHBondContact OD1-CB 3.27Å; N136-N160 PolarHBondContact OD1-N 2.87Å; N136-A163 HydrophobicContact CB-CB 3.71Å
137T90.8Very high88.1Confident10 Ų1030.5 Ų30.56%0.06117%0.166CC..Hα-helixtrans-61.4-42.3176.2-57.70000111.6L52 F92 S133 R134 L139 L140 F141L52-T137 HydrophobicContact CD1-CG2 3.72Å; F92-T137 HydrophobicContact CE1-CG2 3.98Å; F92-T137 HydrophobicContact CZ-CG2 3.65Å; S133-T137 WeakPolarHBondContact O-CB 3.09Å; S133-T137 PolarHBondContact O-N 3.09Å; S133-T137 PolarHBondContact O-OG1 3.48Å; R134-T137 PolarHBondContact O-N 2.89Å; T137-L139 VanDerWaalsContact C-N 3.32Å; T137-L139 PolarHBondContact O-N 2.83Å; T137-L140 PolarHBondContact O-N 3.13Å; T137-F141 PolarHBondContact O-N 3.08Å; T137-F141 VanDerWaalsContact O-N 3.08Å
138A91.8Very high88.6Confident0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-59.7-42.8174.700000111.8L91 I95 R134 L135 N136 F141 A142 L154L91-A138 HydrophobicContact CD1-CB 4.25Å; L91-A138 HydrophobicContact CD2-CB 4.03Å; I95-A138 HydrophobicContact CD1-CB 3.82Å; R134-A138 WeakPolarHBondContact O-CB 3.36Å; R134-A138 PolarHBondContact O-N 2.91Å; L135-A138 WeakPolarHBondContact O-CB 3.41Å; L135-A138 PolarHBondContact O-N 3.18Å; N136-A138 VanDerWaalsContact C-N 3.34Å; N136-A138 PolarHBondContact O-N 3.46Å; A138-F141 PolarHBondContact O-N 3.37Å; A138-A142 VanDerWaalsContact O-CB 3.32Å; A138-A142 WeakPolarHBondContact O-CB 3.41Å; A138-A142 PolarHBondContact O-N 3.25Å; A138-L154 HydrophobicContact CB-CD1 3.76Å; A138-L154 HydrophobicContact CB-CD2 3.79Å; A138-L154 HydrophobicContact CB-CG 4.45Å
139L93.1Very high89Confident0 Ų028.5 Ų28.50%016%0.163CC..Hα-helixtrans-66.7-41.3-179.5178.963.3000111.6L135 N136 T137 S143 C151 L154 I155 A159 P171L135-L139 WeakPolarHBondContact O-CB 3.27Å; L135-L139 PolarHBondContact O-N 2.98Å; N136-L139 PolarHBondContact O-N 3.5Å; T137-L139 VanDerWaalsContact C-N 3.32Å; T137-L139 PolarHBondContact O-N 2.83Å; L139-S143 VanDerWaalsContact O-CB 3.29Å; L139-S143 WeakPolarHBondContact O-CB 3.25Å; L139-S143 PolarHBondContact O-N 3.47Å; L139-S143 PolarHBondContact O-OG 3.19Å; L139-C151 HydrophobicContact CD1-CB 3.92Å; L139-L154 HydrophobicContact CB-CD1 4.38Å; L139-L154 HydrophobicContact CD1-CB 4.42Å; L139-I155 HydrophobicContact CD1-CD1 4.16Å; L139-I155 HydrophobicContact CD1-CG1 3.89Å; L139-I155 HydrophobicContact CD2-CG1 3.96Å; L139-A159 HydrophobicContact CB-CB 4.1Å; L139-A159 HydrophobicContact CD2-CB 3.89Å; L139-P171 HydrophobicContact CD2-CB 4.4Å; L139-P171 HydrophobicContact CD2-CG 3.83Å; L139-P171 HydrophobicContact CG-CB 4.29Å; L139-P171 HydrophobicContact CG-CG 4.03Å
140L91.5Very high89.3Confident6 Ų624.5 Ų24.53%0.03114%0.142CC..Hα-helixtrans-60.5-46.9175.8-66.9166.3000110.5G47 N136 T137 S143 G144 T165 P171 I174G47-L140 CarbonylContact O-C 3.58Å; G47-L140 VanDerWaalsContact O-C 3.28Å; G47-L140 WeakPolarHBondContact O-CB 3.3Å; N136-L140 VanDerWaalsContact O-CG 3.28Å; N136-L140 WeakPolarHBondContact O-CG 3.39Å; N136-L140 PolarHBondContact O-N 3.48Å; T137-L140 PolarHBondContact O-N 3.13Å; L140-S143 WeakPolarHBondContact O-CB 3.07Å; L140-S143 PolarHBondContact O-N 3.41Å; L140-G144 PolarHBondContact O-N 3.44Å; L140-G144 VanDerWaalsContact O-N 3.13Å; L140-T165 HydrophobicContact CD1-CG2 3.69Å; L140-T165 HydrophobicContact CD2-CG2 4.26Å; L140-P171 HydrophobicContact CD2-CB 4.41Å; L140-P171 HydrophobicContact CD2-CG 3.78Å; L140-P171 HydrophobicContact CG-CG 4.49Å; L140-I174 HydrophobicContact CB-CD1 3.64Å; L140-I174 HydrophobicContact CD2-CD1 3.38Å; L140-I174 HydrophobicContact CG-CD1 4.05Å
141F90.1Very high89.6Confident0 Ų021.3 Ų21.30%013%0.129CC..Hα-helixtrans-64.9-46.5178-173.4-102.7000112.8L20 L22 F46 G47 I48 F92 I95 I96 T137 A138 S143 G144 L145L20-F141 HydrophobicContact CD1-CE1 4.29Å; L20-F141 HydrophobicContact CD1-CE2 4.03Å; L20-F141 HydrophobicContact CD1-CZ 3.43Å; L20-F141 VanDerWaalsContact CD1-CZ 3.43Å; L22-F141 HydrophobicContact CD1-CZ 4.36Å; F46-F141 WeakPolarHBondContact O-CD2 3.29Å; G47-F141 PolarHBondContact O-N 2.89Å; I48-F141 HydrophobicContact CD1-CD2 3.88Å; I48-F141 HydrophobicContact CD1-CE2 4.04Å; I48-F141 HydrophobicContact CG1-CD2 3.65Å; I48-F141 HydrophobicContact CG1-CE2 4.28Å; F92-F141 HydrophobicContact CB-CD1 4.28Å; F92-F141 HydrophobicContact CB-CE1 3.86Å; F92-F141 HydrophobicContact CB-CE2 4.48Å; F92-F141 HydrophobicContact CB-CZ 4.01Å; F92-F141 HydrophobicContact CD1-CB 3.8Å; F92-F141 AromaticContact CD1-CD1 3.45Å; F92-F141 HydrophobicContact CD1-CD1 3.45Å; F92-F141 VanDerWaalsContact CD1-CD1 3.45Å; F92-F141 AromaticContact CD1-CD2 3.77Å; F92-F141 HydrophobicContact CD1-CD2 3.77Å; F92-F141 AromaticContact CD1-CE1 3.92Å; F92-F141 HydrophobicContact CD1-CE1 3.92Å; F92-F141 HydrophobicContact CD1-CE2 4.24Å; F92-F141 AromaticContact CD1-CG 3.38Å; F92-F141 HydrophobicContact CD1-CG 3.38Å; F92-F141 HydrophobicContact CD1-CZ 4.31Å; F92-F141 HydrophobicContact CE1-CB 3.56Å; F92-F141 HydrophobicContact CE1-CD1 4.15Å; F92-F141 AromaticContact CE1-CD2 3.94Å; F92-F141 HydrophobicContact CE1-CD2 3.94Å; F92-F141 AromaticContact CE1-CG 3.62Å; F92-F141 HydrophobicContact CE1-CG 3.62Å; F92-F141 HydrophobicContact CG-CD1 4.22Å; F92-F141 HydrophobicContact CG-CD2 4.31Å; F92-F141 HydrophobicContact CG-CE1 4.23Å; F92-F141 HydrophobicContact CG-CE2 4.36Å; F92-F141 HydrophobicContact CG-CG 4.27Å; F92-F141 HydrophobicContact CG-CZ 4.34Å; I95-F141 HydrophobicContact CB-CD1 4.09Å; I95-F141 HydrophobicContact CB-CE1 4.26Å; I95-F141 HydrophobicContact CD1-CD1 3.96Å; I95-F141 HydrophobicContact CG2-CD1 3.81Å; I95-F141 HydrophobicContact CG2-CE1 4.13Å; I96-F141 HydrophobicContact CD1-CE1 4.47Å; I96-F141 HydrophobicContact CD1-CZ 4.22Å; I96-F141 HydrophobicContact CG1-CE1 4.09Å; I96-F141 HydrophobicContact CG1-CZ 4.29Å; T137-F141 PolarHBondContact O-N 3.08Å; T137-F141 VanDerWaalsContact O-N 3.08Å; A138-F141 PolarHBondContact O-N 3.37Å; F141-S143 PolarHBondContact O-N 3.39Å; F141-G144 WeakPolarHBondContact O-CA 3.31Å; F141-G144 PolarHBondContact O-N 3Å; F141-L145 HydrophobicContact CD1-CD1 4Å; F141-L145 HydrophobicContact CE1-CD1 3.43Å; F141-L145 VanDerWaalsContact CE1-CD1 3.43Å; F141-L145 HydrophobicContact CE1-CG 4.22Å; F141-L145 HydrophobicContact CZ-CD1 3.92Å; F141-L145 HydrophobicContact CZ-CG 4.38Å; F141-L145 PolarHBondContact O-N 3.19Å; F141-L145 VanDerWaalsContact O-N 3.12Å
142A90.5Very high89.9Confident0 Ų021.6 Ų21.60%013%0.131CC..Hα-helixtrans-62.4-33176.900000112.5I95 A138 G144 L145 G146 L147 V150 C151 L154I95-A142 HydrophobicContact CG2-CB 4.11Å; A138-A142 VanDerWaalsContact O-CB 3.32Å; A138-A142 WeakPolarHBondContact O-CB 3.41Å; A138-A142 PolarHBondContact O-N 3.25Å; A142-G144 VanDerWaalsContact C-N 3.33Å; A142-L145 PolarHBondContact O-N 2.92Å; A142-G146 PolarHBondContact O-N 2.92Å; A142-L147 PolarHBondContact O-N 2.86Å; A142-L147 VanDerWaalsContact O-N 3.14Å; A142-V150 HydrophobicContact CB-CB 4.35Å; A142-V150 HydrophobicContact CB-CG1 3.91Å; A142-C151 VanDerWaalsContact C-SG 3.56Å; A142-C151 VanDerWaalsContact CB-SG 3.6Å; A142-L154 HydrophobicContact CB-CD1 4.05Å
143S90.4Very high90Very high0 Ų022 Ų220%013%0.13CC..Hα-helixtrans-67.3-33.9173.7-60.10000112.1L139 L140 F141 G146L139-S143 VanDerWaalsContact O-CB 3.29Å; L139-S143 WeakPolarHBondContact O-CB 3.25Å; L139-S143 PolarHBondContact O-N 3.47Å; L139-S143 PolarHBondContact O-OG 3.19Å; L140-S143 WeakPolarHBondContact O-CB 3.07Å; L140-S143 PolarHBondContact O-N 3.41Å; F141-S143 PolarHBondContact O-N 3.39Å; S143-G146 PolarHBondContact O-N 3.25Å
144G86.6Confident90.1Very high2 Ų218.8 Ų18.82%0.02111%0.107CC..Hα-helixtrans-67-37.8173.500000113.2L140 F141 A142 G146 H178L140-G144 PolarHBondContact O-N 3.44Å; L140-G144 VanDerWaalsContact O-N 3.13Å; F141-G144 WeakPolarHBondContact O-CA 3.31Å; F141-G144 PolarHBondContact O-N 3Å; A142-G144 VanDerWaalsContact C-N 3.33Å; G144-G146 VanDerWaalsContact C-N 3.31Å; G144-G146 PolarHBondContact O-N 3.37Å; G144-H178 VanDerWaalsContact CA-CD2 3.42Å; G144-H178 WeakPolarHBondContact CA-CD2 3.43Å; G144-H178 WeakPolarHBondContact CA-NE2 3.06Å; G144-H178 PolarHBondContact O-CD2 3.34Å; G144-H178 PolarHBondContact O-CE1 3.28Å; G144-H178 PolarHBondContact O-ND1 3.01Å; G144-H178 PolarHBondContact O-NE2 3.13Å
145L85.8Confident90.2Very high42 Ų4219.3 Ų19.322%0.2211%0.111CC..Hα-helixtrans-78.7-13.2178.2-65.2179.2000114.2L22 I95 I96 F141 A142 L147L22-L145 HydrophobicContact CD1-CD2 3.94Å; I95-L145 HydrophobicContact CG2-CD1 4.17Å; I96-L145 HydrophobicContact CG1-CD1 3.77Å; F141-L145 HydrophobicContact CD1-CD1 4Å; F141-L145 HydrophobicContact CE1-CD1 3.43Å; F141-L145 VanDerWaalsContact CE1-CD1 3.43Å; F141-L145 HydrophobicContact CE1-CG 4.22Å; F141-L145 HydrophobicContact CZ-CD1 3.92Å; F141-L145 HydrophobicContact CZ-CG 4.38Å; F141-L145 PolarHBondContact O-N 3.19Å; F141-L145 VanDerWaalsContact O-N 3.12Å; A142-L145 PolarHBondContact O-N 2.92Å; L145-L147 HydrophobicContact CB-CD1 3.92Å; L145-L147 HydrophobicContact CB-CG 3.82Å; L145-L147 HydrophobicContact CD1-CD1 3.85Å
146G86.9Confident90.2Very high16 Ų1623.6 Ų23.617%0.16514%0.14CC..THydrogen-bonded Turntrans75.525.2-175.900000113.8A142 S143 G144 A148 I184A142-G146 PolarHBondContact O-N 2.92Å; S143-G146 PolarHBondContact O-N 3.25Å; G144-G146 VanDerWaalsContact C-N 3.31Å; G144-G146 PolarHBondContact O-N 3.37Å; G146-A148 PolarHBondContact O-N 3.38Å; G146-I184 VanDerWaalsContact CA-CD1 3.46Å
147L88.9Confident90Very high44 Ų4424.7 Ų24.723%0.2315%0.146CC..  trans-87.584.2-177.7-62.2173.6000112.3I95 A142 L145 N149 V150 C151I95-L147 HydrophobicContact CG2-CD1 3.83Å; I95-L147 WeakPolarHBondContact O-CD1 3.47Å; A142-L147 PolarHBondContact O-N 2.86Å; A142-L147 VanDerWaalsContact O-N 3.14Å; L145-L147 HydrophobicContact CB-CD1 3.92Å; L145-L147 HydrophobicContact CB-CG 3.82Å; L145-L147 HydrophobicContact CD1-CD1 3.85Å; L147-N149 PolarHBondContact O-N 2.86Å; L147-V150 HydrophobicContact CB-CB 3.94Å; L147-V150 HydrophobicContact CB-CG2 4.01Å; L147-V150 HydrophobicContact CD1-CG2 4.23Å; L147-V150 PolarHBondContact O-N 2.91Å; L147-C151 PolarHBondContact O-N 2.98Å; L147-C151 PolarHBondContact O-SG 2.97Å; L147-C151 VanDerWaalsContact O-SG 3.38Å
148A88.9Confident89.8Confident12 Ų1226.8 Ų26.810%0.09917%0.17CC..Hα-helixtrans-57.3-44.5-175.800000114.2G146 V150 C151 N152 E183 I184G146-A148 PolarHBondContact O-N 3.38Å; A148-V150 PolarHBondContact O-N 3.27Å; A148-C151 PolarHBondContact O-N 3.44Å; A148-N152 WeakPolarHBondContact O-CB 3.23Å; A148-N152 PolarHBondContact O-N 3.37Å; A148-N152 PolarHBondContact O-ND2 3.36Å; A148-E183 HydrophobicContact CB-CB 4.19Å; A148-I184 HydrophobicContact CB-CG1 3.86Å
149N90.1Very high89.8Confident127 Ų12727 Ų2768%0.67917%0.171SC*.Hα-helixtrans-62.4-43.7179.3-67.1-17.4000111.8L147 N152 T153L147-N149 PolarHBondContact O-N 2.86Å; N149-N152 PolarHBondContact O-N 3.48Å; N149-T153 WeakPolarHBondContact O-CG2 3.19Å; N149-T153 PolarHBondContact O-N 3.44Å; N149-T153 VanDerWaalsContact O-N 3.11Å; N149-T153 PolarHBondContact O-OG1 3.12Å
150V90.9Very high89.8Confident3 Ų331 Ų312%0.01819%0.192CC..Hα-helixtrans-65.7-46.5178.1179.60000110.1I95 M100 I103 A142 L147 A148 N152 T153 L154I95-V150 HydrophobicContact CG2-CG1 4.21Å; M100-V150 HydrophobicContact SD-CG2 4.15Å; I103-V150 HydrophobicContact CD1-CG1 3.94Å; I103-V150 HydrophobicContact CD1-CG2 4Å; A142-V150 HydrophobicContact CB-CB 4.35Å; A142-V150 HydrophobicContact CB-CG1 3.91Å; L147-V150 HydrophobicContact CB-CB 3.94Å; L147-V150 HydrophobicContact CB-CG2 4.01Å; L147-V150 HydrophobicContact CD1-CG2 4.23Å; L147-V150 PolarHBondContact O-N 2.91Å; A148-V150 PolarHBondContact O-N 3.27Å; V150-N152 VanDerWaalsContact C-N 3.31Å; V150-N152 PolarHBondContact O-N 3.34Å; V150-T153 PolarHBondContact O-N 3.25Å; V150-T153 PolarHBondContact O-OG1 3.04Å; V150-L154 HydrophobicContact CG1-CD1 3.85Å; V150-L154 HydrophobicContact CG1-CG 4.26Å; V150-L154 WeakPolarHBondContact O-CG 3.42Å; V150-L154 PolarHBondContact O-N 3.12Å
151C91.4Very high89.8Confident3 Ų331.2 Ų31.22%0.0219%0.194CC..Hα-helixtrans-55.3-45.9175.1-71.20000112L139 A142 L147 A148 T153 L154 I155L139-C151 HydrophobicContact CD1-CB 3.92Å; A142-C151 VanDerWaalsContact C-SG 3.56Å; A142-C151 VanDerWaalsContact CB-SG 3.6Å; L147-C151 PolarHBondContact O-N 2.98Å; L147-C151 PolarHBondContact O-SG 2.97Å; L147-C151 VanDerWaalsContact O-SG 3.38Å; A148-C151 PolarHBondContact O-N 3.44Å; C151-T153 PolarHBondContact O-N 3.01Å; C151-L154 PolarHBondContact O-N 2.97Å; C151-I155 WeakPolarHBondContact O-CD1 3.15Å; C151-I155 WeakPolarHBondContact O-CG1 3.4Å; C151-I155 PolarHBondContact O-N 3.44Å
152N91.5Very high90Very high37 Ų3734 Ų3420%0.19821%0.209CC..Hα-helixtrans-61-43.4179.9-86.1-42.8000112.7A148 N149 V150 I155 C156 D187 R191A148-N152 WeakPolarHBondContact O-CB 3.23Å; A148-N152 PolarHBondContact O-N 3.37Å; A148-N152 PolarHBondContact O-ND2 3.36Å; N149-N152 PolarHBondContact O-N 3.48Å; V150-N152 VanDerWaalsContact C-N 3.31Å; V150-N152 PolarHBondContact O-N 3.34Å; N152-I155 PolarHBondContact O-N 2.97Å; N152-C156 PolarHBondContact O-N 2.8Å; N152-C156 PolarHBondContact O-SG 2.94Å; N152-D187 PolarHBondContact ND2-OD2 3.5Å; N152-D187 PolarHBondContact OD1-OD2 3.44Å; N152-R191 PolarHBondContact OD1-NE 2.92Å; N152-R191 PolarHBondContact OD1-NH2 3.12Å
153T89.9Confident90Very high44 Ų4434.2 Ų34.227%0.2721%0.211SC..Hα-helixtrans-68.5-40.3177.160.90000113.1M100 N149 V150 C151 I155 C156 L157M100-T153 VanDerWaalsContact CE-CB 3.43Å; M100-T153 HydrophobicContact CE-CG2 3.2Å; M100-T153 WeakPolarHBondContact CE-OG1 3.38Å; N149-T153 WeakPolarHBondContact O-CG2 3.19Å; N149-T153 PolarHBondContact O-N 3.44Å; N149-T153 VanDerWaalsContact O-N 3.11Å; N149-T153 PolarHBondContact O-OG1 3.12Å; V150-T153 PolarHBondContact O-N 3.25Å; V150-T153 PolarHBondContact O-OG1 3.04Å; C151-T153 PolarHBondContact O-N 3.01Å; T153-I155 VanDerWaalsContact C-N 3.27Å; T153-I155 PolarHBondContact O-N 3.4Å; T153-C156 CarbonylContact O-C 3.55Å; T153-C156 WeakPolarHBondContact O-CA 3.47Å; T153-C156 WeakPolarHBondContact O-CB 3.45Å; T153-C156 PolarHBondContact O-N 3.03Å; T153-C156 VanDerWaalsContact O-N 3.1Å; T153-L157 WeakPolarHBondContact O-CG 3.38Å; T153-L157 PolarHBondContact O-N 3.08Å
154L91Very high90Very high0 Ų040.6 Ų40.60%024%0.239CC..Hα-helixtrans-60.1-39.9175.6-71.4171.4000111.4I103 L135 A138 L139 A142 V150 C151 L157 G158 A159I103-L154 HydrophobicContact CG2-CD2 4.04Å; L135-L154 HydrophobicContact CD2-CD2 3.91Å; A138-L154 HydrophobicContact CB-CD1 3.76Å; A138-L154 HydrophobicContact CB-CD2 3.79Å; A138-L154 HydrophobicContact CB-CG 4.45Å; L139-L154 HydrophobicContact CB-CD1 4.38Å; L139-L154 HydrophobicContact CD1-CB 4.42Å; A142-L154 HydrophobicContact CB-CD1 4.05Å; V150-L154 HydrophobicContact CG1-CD1 3.85Å; V150-L154 HydrophobicContact CG1-CG 4.26Å; V150-L154 WeakPolarHBondContact O-CG 3.42Å; V150-L154 PolarHBondContact O-N 3.12Å; C151-L154 PolarHBondContact O-N 2.97Å; L154-L157 HydrophobicContact CD2-CD1 4.43Å; L154-L157 WeakPolarHBondContact O-CB 3.42Å; L154-L157 PolarHBondContact O-N 3.39Å; L154-G158 PolarHBondContact O-N 3.35Å; L154-A159 HydrophobicContact CB-CB 4.24Å; L154-A159 WeakPolarHBondContact O-CB 3.28Å; L154-A159 PolarHBondContact O-N 3.13Å
155I91.7Very high90.1Very high20 Ų2041 Ų4110%0.10324%0.241CC..Hα-helixtrans-68.6-37.9175.9-58.1160.4000111.1L139 C151 N152 T153 L157 G158 V161 L188L139-I155 HydrophobicContact CD1-CD1 4.16Å; L139-I155 HydrophobicContact CD1-CG1 3.89Å; L139-I155 HydrophobicContact CD2-CG1 3.96Å; C151-I155 WeakPolarHBondContact O-CD1 3.15Å; C151-I155 WeakPolarHBondContact O-CG1 3.4Å; C151-I155 PolarHBondContact O-N 3.44Å; N152-I155 PolarHBondContact O-N 2.97Å; T153-I155 VanDerWaalsContact C-N 3.27Å; T153-I155 PolarHBondContact O-N 3.4Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3Å; I155-G158 PolarHBondContact O-N 3.44Å; I155-V161 HydrophobicContact CD1-CG2 4.21Å; I155-V161 HydrophobicContact CG1-CG2 4.15Å; I155-V161 HydrophobicContact CG2-CG2 3.65Å; I155-L188 HydrophobicContact CD1-CD2 3.91Å
156C90.2Very high90.1Very high97 Ų9744.7 Ų44.766%0.65526%0.255SS*.Hα-helixtrans-64.4-29.4172.6-67.60000113N152 T153 G158N152-C156 PolarHBondContact O-N 2.8Å; N152-C156 PolarHBondContact O-SG 2.94Å; T153-C156 CarbonylContact O-C 3.55Å; T153-C156 WeakPolarHBondContact O-CA 3.47Å; T153-C156 WeakPolarHBondContact O-CB 3.45Å; T153-C156 PolarHBondContact O-N 3.03Å; T153-C156 VanDerWaalsContact O-N 3.1Å; C156-G158 PolarHBondContact O-N 2.84Å
157L87.6Confident90Very high56 Ų5645.5 Ų45.529%0.29325%0.254SS..THydrogen-bonded Turntrans-74.7-4.1172.6-67.7171.7000113.4I104 L135 T153 L154 I155I104-L157 HydrophobicContact CG1-CD1 4.03Å; L135-L157 HydrophobicContact CD1-CB 4.3Å; L135-L157 WeakPolarHBondContact CD1-O 3.44Å; L135-L157 HydrophobicContact CD2-CB 3.9Å; L135-L157 HydrophobicContact CD2-CD1 4.08Å; T153-L157 WeakPolarHBondContact O-CG 3.38Å; T153-L157 PolarHBondContact O-N 3.08Å; L154-L157 HydrophobicContact CD2-CD1 4.43Å; L154-L157 WeakPolarHBondContact O-CB 3.42Å; L154-L157 PolarHBondContact O-N 3.39Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3Å
158G88.1Confident90Very high54 Ų5444 Ų4456%0.55725%0.249SC*.THydrogen-bonded Turntrans101.314.7178.700000114.9L154 I155 C156 N160L154-G158 PolarHBondContact O-N 3.35Å; I155-G158 PolarHBondContact O-N 3.44Å; C156-G158 PolarHBondContact O-N 2.84Å; G158-N160 PolarHBondContact O-N 3.25Å
159A90.6Very high90.1Very high5 Ų543.4 Ų43.44%0.04124%0.244CC..  trans-60.5134.5171.100000110.8L135 L139 L154 V161L135-A159 HydrophobicContact CB-CB 4.03Å; L139-A159 HydrophobicContact CB-CB 4.1Å; L139-A159 HydrophobicContact CD2-CB 3.89Å; L154-A159 HydrophobicContact CB-CB 4.24Å; L154-A159 WeakPolarHBondContact O-CB 3.28Å; L154-A159 PolarHBondContact O-N 3.13Å; A159-V161 PolarHBondContact O-N 2.97Å
160N92.8Very high90.2Very high82 Ų8237.4 Ų37.444%0.43921%0.212SC..  trans-77114.5178.9-177.1-2.3000110.1N136 G158 N162 A163N136-N160 WeakPolarHBondContact OD1-CB 3.27Å; N136-N160 PolarHBondContact OD1-N 2.87Å; G158-N160 PolarHBondContact O-N 3.25Å; N160-N162 PolarHBondContact O-N 2.86Å; N160-N162 VanDerWaalsContact O-N 3.14Å; N160-N162 PolarHBondContact OD1-N 3.24Å; N160-A163 HydrophobicContact CB-CB 4.23Å; N160-A163 WeakPolarHBondContact O-CB 3.23Å; N160-A163 PolarHBondContact O-N 3.46Å
161V92.9Very high90.3Very high12 Ų1237.2 Ų37.27%0.07321%0.211CC..THydrogen-bonded Turntrans-58.4-26.7177.5-1790000112.6I155 A159 P171 L188 R191 A193I155-V161 HydrophobicContact CD1-CG2 4.21Å; I155-V161 HydrophobicContact CG1-CG2 4.15Å; I155-V161 HydrophobicContact CG2-CG2 3.65Å; A159-V161 PolarHBondContact O-N 2.97Å; V161-P171 WeakPolarHBondContact O-CD 3.48Å; V161-L188 HydrophobicContact CG1-CB 4.28Å; V161-L188 HydrophobicContact CG1-CD2 3.83Å; V161-L188 WeakPolarHBondContact CG1-O 3.23Å; V161-R191 HydrophobicContact CG2-CB 3.98Å; V161-A193 HydrophobicContact CG1-CB 3.58Å
162N92.7Very high90.4Very high57 Ų5737.2 Ų37.231%0.30521%0.211SC..THydrogen-bonded Turntrans-105.419.8177.8-66.1-57.2000112.5N160 G192 A193 N194N160-N162 PolarHBondContact O-N 2.86Å; N160-N162 VanDerWaalsContact O-N 3.14Å; N160-N162 PolarHBondContact OD1-N 3.24Å; N162-G192 PolarHBondContact ND2-O 2.84Å; N162-G192 VanDerWaalsContact ND2-O 3.12Å; N162-A193 WeakPolarHBondContact OD1-CA 3.49Å; N162-N194 PolarHBondContact OD1-N 3.05Å
163A90.4Very high90.4Very high6 Ų635.5 Ų35.55%0.0520%0.202CC..  trans-53.2141.6171.900000110.3N136 N160 T170 P171N136-A163 HydrophobicContact CB-CB 3.71Å; N160-A163 HydrophobicContact CB-CB 4.23Å; N160-A163 WeakPolarHBondContact O-CB 3.23Å; N160-A163 PolarHBondContact O-N 3.46Å; A163-T170 VanDerWaalsContact O-CA 3.3Å; A163-T170 WeakPolarHBondContact O-CA 3.48Å; A163-P171 VanDerWaalsContact O-CD 3.31Å; A163-P171 WeakPolarHBondContact O-CD 3.39Å
164K91Very high90.4Very high133 Ų13333.4 Ų33.458%0.57819%0.189SC*.  trans-119137.9-179.4-70.7-177.4-179-175.70110.3R169 T170K164-R169 CarbonylContact C-O 3.49Å; K164-R169 VanDerWaalsContact CA-O 3.28Å; K164-R169 WeakPolarHBondContact CA-O 3.37Å; K164-T170 HydrophobicContact CG-CG2 3.98Å
165T89.4Confident90.3Very high12 Ų1233.4 Ų33.47%0.07419%0.189CC..  trans-73.7176.6164.265.40000110.9E43 L140 F167 G168 R169E43-T165 WeakPolarHBondContact OE1-CB 3.5Å; E43-T165 WeakPolarHBondContact OE1-CG2 3.26Å; E43-T165 PolarHBondContact OE1-OG1 3.23Å; L140-T165 HydrophobicContact CD1-CG2 3.69Å; L140-T165 HydrophobicContact CD2-CG2 4.26Å; T165-F167 PolarHBondContact O-N 2.8Å; T165-F167 PolarHBondContact OG1-N 3.27Å; T165-G168 WeakPolarHBondContact O-CA 3.04Å; T165-G168 PolarHBondContact O-N 2.78Å; T165-R169 HydrophobicContact CG2-CB 4.38Å; T165-R169 PolarHBondContact N-O 3.33Å; T165-R169 WeakPolarHBondContact OG1-CB 3.23Å; T165-R169 PolarHBondContact OG1-N 2.92Å; T165-R169 VanDerWaalsContact OG1-N 3.12Å
166K84.9Confident90.2Very high118 Ų11832.4 Ų32.451%0.51318%0.184SC..THydrogen-bonded Turntrans-58.5-32.8173.6-162-172.8-151.9159.60112.8S49 D51 G168 I200S49-K166 PolarHBondContact OG-N 2.98Å; D51-K166 VanDerWaalsContact OD1-CD 3.3Å; D51-K166 WeakPolarHBondContact OD1-CD 3.38Å; D51-K166 WeakPolarHBondContact OD1-CE 3.47Å; D51-K166 IonicContact OD1-NZ 3.3Å; D51-K166 PolarHBondContact OD1-NZ 3.05Å; D51-K166 VanDerWaalsContact OD2-CD 3.32Å; D51-K166 WeakPolarHBondContact OD2-CD 3.05Å; D51-K166 IonicContact OD2-NZ 3.85Å; K166-G168 PolarHBondContact O-N 3.04Å; K166-I200 WeakPolarHBondContact O-CD1 3.37Å
167F85.9Confident90Very high34 Ų3427.9 Ų27.915%0.14915%0.153CC..THydrogen-bonded Turntrans-78.95.7173-63.7-50.2000113.8I39 E43 N50 T165 R169 D199 I200 F201I39-F167 HydrophobicContact CG2-CE2 3.87Å; I39-F167 HydrophobicContact CG2-CZ 3.77Å; E43-F167 HydrophobicContact CB-CD2 4.44Å; E43-F167 HydrophobicContact CG-CD2 4.41Å; E43-F167 WeakPolarHBondContact OE1-CD2 3.28Å; E43-F167 WeakPolarHBondContact OE2-CD2 3.3Å; E43-F167 WeakPolarHBondContact OE2-CE2 3.35Å; N50-F167 HydrophobicContact CB-CE2 3.98Å; N50-F167 HydrophobicContact CB-CZ 4.34Å; T165-F167 PolarHBondContact O-N 2.8Å; T165-F167 PolarHBondContact OG1-N 3.27Å; F167-R169 VanDerWaalsContact C-N 3.26Å; F167-R169 HydrophobicContact CB-CG 4.27Å; F167-R169 PolarHBondContact O-N 3.43Å; F167-D199 WeakPolarHBondContact O-CB 3.48Å; F167-I200 WeakPolarHBondContact O-CB 3.46Å; F167-I200 WeakPolarHBondContact O-CG1 3.39Å; F167-I200 PolarHBondContact O-N 3.05Å; F167-F201 HydrophobicContact CB-CE2 3.96Å; F167-F201 AromaticContact CD1-CE2 3.96Å; F167-F201 HydrophobicContact CD1-CE2 3.96Å; F167-F201 AromaticContact CD1-CZ 3.73Å; F167-F201 HydrophobicContact CD1-CZ 3.73Å; F167-F201 HydrophobicContact CD2-CE2 4.47Å; F167-F201 HydrophobicContact CE1-CZ 4.06Å; F167-F201 AromaticContact CG-CE2 3.88Å; F167-F201 HydrophobicContact CG-CE2 3.88Å; F167-F201 HydrophobicContact CG-CZ 4.11Å
168G88.8Confident89.7Confident11 Ų1126.1 Ų26.111%0.11314%0.144CC..  trans76.112.4-178.900000113.8T165 K166T165-G168 WeakPolarHBondContact O-CA 3.04Å; T165-G168 PolarHBondContact O-N 2.78Å; K166-G168 PolarHBondContact O-N 3.04Å
169R91Very high88.7Confident0 Ų029.1 Ų29.10%015%0.146CC..  trans-79.6136.9-178.4-64.2178.1174159.3-12.1110.7K40 E43 K164 T165 F167 H173 D199K40-R169 VanDerWaalsContact O-CZ 3.25Å; K40-R169 PolarHBondContact O-NH1 3.1Å; K40-R169 PolarHBondContact O-NH2 3.24Å; E43-R169 WeakPolarHBondContact OE1-CD 3.4Å; E43-R169 IonicContact OE1-NH1 2.89Å; K164-R169 CarbonylContact C-O 3.49Å; K164-R169 VanDerWaalsContact CA-O 3.28Å; K164-R169 WeakPolarHBondContact CA-O 3.37Å; T165-R169 HydrophobicContact CG2-CB 4.38Å; T165-R169 PolarHBondContact N-O 3.33Å; T165-R169 WeakPolarHBondContact OG1-CB 3.23Å; T165-R169 PolarHBondContact OG1-N 2.92Å; T165-R169 VanDerWaalsContact OG1-N 3.12Å; F167-R169 VanDerWaalsContact C-N 3.26Å; F167-R169 HydrophobicContact CB-CG 4.27Å; F167-R169 PolarHBondContact O-N 3.43Å; R169-H173 HydrophobicContact CB-CB 4.03Å; R169-H173 HydrophobicContact CG-CB 4.36Å; R169-D199 HydrophobicContact CG-CB 3.9Å; R169-D199 IonicContact NE-OD2 2.91Å
170T92.7Very high87.6Confident1 Ų132.7 Ų32.71%0.00617%0.171CC..  trans-99.7166.6176.867.60000111A163 K164 L172 H173 I174 T197A163-T170 VanDerWaalsContact O-CA 3.3Å; A163-T170 WeakPolarHBondContact O-CA 3.48Å; K164-T170 HydrophobicContact CG-CG2 3.98Å; T170-L172 PolarHBondContact O-N 3.33Å; T170-H173 PolarHBondContact N-ND1 3.27Å; T170-H173 VanDerWaalsContact N-ND1 3.11Å; T170-H173 WeakPolarHBondContact O-CB 3.28Å; T170-H173 PolarHBondContact O-N 3.24Å; T170-H173 PolarHBondContact OG1-ND1 3.24Å; T170-I174 PolarHBondContact O-N 3.49Å; T170-T197 HydrophobicContact CG2-CG2 3.83Å
171P92.3Very high86.6Confident0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-50.1-33.1171.9-2935.3000113L139 L140 V161 A163 I174 A175 L188L139-P171 HydrophobicContact CD2-CB 4.4Å; L139-P171 HydrophobicContact CD2-CG 3.83Å; L139-P171 HydrophobicContact CG-CB 4.29Å; L139-P171 HydrophobicContact CG-CG 4.03Å; L140-P171 HydrophobicContact CD2-CB 4.41Å; L140-P171 HydrophobicContact CD2-CG 3.78Å; L140-P171 HydrophobicContact CG-CG 4.49Å; V161-P171 WeakPolarHBondContact O-CD 3.48Å; A163-P171 VanDerWaalsContact O-CD 3.31Å; A163-P171 WeakPolarHBondContact O-CD 3.39Å; P171-I174 PolarHBondContact O-N 3.12Å; P171-A175 WeakPolarHBondContact O-CB 3.38Å; P171-A175 PolarHBondContact O-N 3.02Å; P171-L188 HydrophobicContact CB-CD1 3.88Å; P171-L188 HydrophobicContact CB-CD2 4.03Å
172L92.2Very high85.8Confident2 Ų228.6 Ų28.61%0.0115%0.151CC..Hα-helixtrans-66.9-35.1176.1-165.571.4000113.3T170 A176 I185 L188 V189 I195 A205T170-L172 PolarHBondContact O-N 3.33Å; L172-A176 VanDerWaalsContact O-CB 3.28Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 3.09Å; L172-A176 VanDerWaalsContact O-N 3.09Å; L172-I185 HydrophobicContact CD1-CB 4.32Å; L172-I185 HydrophobicContact CD1-CG1 4.11Å; L172-I185 HydrophobicContact CD1-CG2 4.03Å; L172-L188 HydrophobicContact CB-CD1 4.49Å; L172-L188 HydrophobicContact CD1-CB 4.44Å; L172-L188 HydrophobicContact CD1-CD1 4.32Å; L172-V189 HydrophobicContact CD1-CG2 4.21Å; L172-I195 HydrophobicContact CD2-CB 4.42Å; L172-I195 HydrophobicContact CD2-CG1 4.34Å; L172-A205 HydrophobicContact CB-CB 4.4Å; L172-A205 HydrophobicContact CD2-CB 3.92Å; L172-A205 HydrophobicContact CG-CB 3.77Å
173H91.9Very high85.4Confident1 Ų132.3 Ų32.31%0.00517%0.166CC..Hα-helixtrans-68.3-43.8176.4-68.786000111.1R169 T170 A176 T197 E203 I208R169-H173 HydrophobicContact CB-CB 4.03Å; R169-H173 HydrophobicContact CG-CB 4.36Å; T170-H173 PolarHBondContact N-ND1 3.27Å; T170-H173 VanDerWaalsContact N-ND1 3.11Å; T170-H173 WeakPolarHBondContact O-CB 3.28Å; T170-H173 PolarHBondContact O-N 3.24Å; T170-H173 PolarHBondContact OG1-ND1 3.24Å; H173-A176 WeakPolarHBondContact O-CB 3.08Å; H173-A176 PolarHBondContact O-N 2.97Å; H173-T197 PolarHBondContact CE1-O 3.36Å; H173-T197 VanDerWaalsContact CE1-O 3.31Å; H173-T197 PolarHBondContact NE2-O 3.28Å; H173-T197 VanDerWaalsContact NE2-O 3.12Å; H173-E203 PolarHBondContact NE2-O 3.08Å; H173-I208 HydrophobicContact CB-CD1 3.7Å
174I90Very high85.4Confident0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-67.1-50178.1-63165.2000109.7L140 T170 P171 A176 A177 H178L140-I174 HydrophobicContact CB-CD1 3.64Å; L140-I174 HydrophobicContact CD2-CD1 3.38Å; L140-I174 HydrophobicContact CG-CD1 4.05Å; T170-I174 PolarHBondContact O-N 3.49Å; P171-I174 PolarHBondContact O-N 3.12Å; I174-A176 PolarHBondContact O-N 3.17Å; I174-A176 VanDerWaalsContact O-N 3.08Å; I174-A177 WeakPolarHBondContact O-CB 3.43Å; I174-A177 PolarHBondContact O-N 3.36Å; I174-H178 PolarHBondContact O-CD2 3.42Å; I174-H178 VanDerWaalsContact O-CD2 3.27Å
175A90.1Very high85.3Confident0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-54.1-33.9176.400000112.4P171 A177 H178 S181 I184 I185 L188P171-A175 WeakPolarHBondContact O-CB 3.38Å; P171-A175 PolarHBondContact O-N 3.02Å; A175-A177 VanDerWaalsContact C-N 3.3Å; A175-A177 PolarHBondContact O-N 2.93Å; A175-H178 PolarHBondContact O-N 2.94Å; A175-S181 WeakPolarHBondContact O-CB 3.29Å; A175-S181 PolarHBondContact O-OG 2.77Å; A175-I184 HydrophobicContact CB-CG2 4.09Å; A175-I185 HydrophobicContact CB-CG1 4.15Å; A175-L188 HydrophobicContact CB-CD1 4.47Å
176A88.4Confident85.3Confident0 Ų026.5 Ų26.50%014%0.141CC..Hα-helixtrans-69-23.5179.300000114.7L172 H173 I174 H178 A205 I208 A209 N214 V217 I221L172-A176 VanDerWaalsContact O-CB 3.28Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 3.09Å; L172-A176 VanDerWaalsContact O-N 3.09Å; H173-A176 WeakPolarHBondContact O-CB 3.08Å; H173-A176 PolarHBondContact O-N 2.97Å; I174-A176 PolarHBondContact O-N 3.17Å; I174-A176 VanDerWaalsContact O-N 3.08Å; A176-H178 VanDerWaalsContact C-N 3.33Å; A176-A205 HydrophobicContact CB-CB 4.13Å; A176-A205 VanDerWaalsContact CB-O 3.23Å; A176-A205 WeakPolarHBondContact CB-O 3.28Å; A176-I208 HydrophobicContact CB-CB 4.45Å; A176-I208 HydrophobicContact CB-CG2 4.36Å; A176-A209 HydrophobicContact CB-CB 4.18Å; A176-N214 PolarHBondContact O-ND2 3.13Å; A176-V217 HydrophobicContact CB-CG1 4.31Å; A176-I221 HydrophobicContact CB-CD1 4.41Å
177A85.8Confident85.5Confident2 Ų222.9 Ų22.92%0.01713%0.127CC..Hα-helixtrans-72.4-27.1176.100000112.4L44 I174 A175 I208 Y212 N214L44-A177 HydrophobicContact CB-CB 4.37Å; I174-A177 WeakPolarHBondContact O-CB 3.43Å; I174-A177 PolarHBondContact O-N 3.36Å; A175-A177 VanDerWaalsContact C-N 3.3Å; A175-A177 PolarHBondContact O-N 2.93Å; A177-I208 HydrophobicContact CB-CG2 4.14Å; A177-Y212 HydrophobicContact CB-CD2 3.89Å; A177-Y212 HydrophobicContact CB-CE2 3.46Å; A177-Y212 VanDerWaalsContact CB-CE2 3.46Å; A177-N214 VanDerWaalsContact C-ND2 3.29Å; A177-N214 PolarHBondContact O-ND2 2.98Å
178H82.4Confident85.7Confident19 Ų1921.3 Ų21.39%0.08812%0.121CC..SBendtrans-103.7145-173.1-57.7-80.3000113.7L44 C45 G144 I174 A175 A176 S181L44-H178 PolarHBondContact O-NE2 3.41Å; L44-H178 VanDerWaalsContact O-NE2 3.12Å; C45-H178 PolarHBondContact O-CE1 2.79Å; C45-H178 VanDerWaalsContact O-CE1 3.24Å; C45-H178 PolarHBondContact O-NE2 3.27Å; G144-H178 VanDerWaalsContact CA-CD2 3.42Å; G144-H178 WeakPolarHBondContact CA-CD2 3.43Å; G144-H178 WeakPolarHBondContact CA-NE2 3.06Å; G144-H178 PolarHBondContact O-CD2 3.34Å; G144-H178 PolarHBondContact O-CE1 3.28Å; G144-H178 PolarHBondContact O-ND1 3.01Å; G144-H178 PolarHBondContact O-NE2 3.13Å; I174-H178 PolarHBondContact O-CD2 3.42Å; I174-H178 VanDerWaalsContact O-CD2 3.27Å; A175-H178 PolarHBondContact O-N 2.94Å; A176-H178 VanDerWaalsContact C-N 3.33Å; H178-S181 PolarHBondContact O-OG 3.17Å
179L67.4Low85.7Confident116 Ų11621.9 Ų21.961%0.60712%0.122SC*.THydrogen-bonded Turntrans-68.6-33.7-175.4-98.983.6000114.1S181 N214L179-S181 VanDerWaalsContact C-N 3.3Å; L179-S181 PolarHBondContact O-N 2.98Å; L179-N214 WeakPolarHBondContact CD1-OD1 3.37Å
180S66.7Low85.6Confident81 Ų8127 Ų2757%0.56615%0.149SC*.THydrogen-bonded Turntrans-820.4-170.547.60000114.6G182S180-G182 VanDerWaalsContact C-N 3.35Å; S180-G182 PolarHBondContact O-N 2.9Å
181S71.1Confident85.4Confident0 Ų031.8 Ų31.80%017%0.167CC..  trans-88.515.4-164.6-440000115.9A175 H178 L179 E183 I184 I185A175-S181 WeakPolarHBondContact O-CB 3.29Å; A175-S181 PolarHBondContact O-OG 2.77Å; H178-S181 PolarHBondContact O-OG 3.17Å; L179-S181 VanDerWaalsContact C-N 3.3Å; L179-S181 PolarHBondContact O-N 2.98Å; S181-E183 PolarHBondContact O-N 2.92Å; S181-I184 PolarHBondContact O-N 2.82Å; S181-I185 VanDerWaalsContact O-CG1 3.29Å; S181-I185 WeakPolarHBondContact O-CG1 3.48Å; S181-I185 PolarHBondContact O-N 3.1Å
182G76Confident85.2Confident8 Ų834 Ų348%0.08219%0.19CC..Hα-helixtrans-56.2-46.3-173.700000113.7S180 T186S180-G182 VanDerWaalsContact C-N 3.35Å; S180-G182 PolarHBondContact O-N 2.9Å; G182-T186 PolarHBondContact O-N 2.72Å; G182-T186 PolarHBondContact O-OG1 3.1Å
183E85.9Confident85Confident134 Ų13434.1 Ų34.163%0.62619%0.191SC*.Hα-helixtrans-69.7-40.1178.1-65.6177.3-17700112.1A148 S181 I185 T186 D187A148-E183 HydrophobicContact CB-CB 4.19Å; S181-E183 PolarHBondContact O-N 2.92Å; E183-I185 VanDerWaalsContact C-N 3.29Å; E183-I185 PolarHBondContact O-N 3.18Å; E183-T186 WeakPolarHBondContact CA-OG1 3.45Å; E183-T186 PolarHBondContact O-N 3.18Å; E183-T186 PolarHBondContact O-OG1 3.17Å; E183-D187 PolarHBondContact O-N 3.43Å
184I89.7Confident84.9Confident2 Ų237.5 Ų37.51%0.0121%0.209CC..Hα-helixtrans-60.3-42.7177.4-66.5170.5000110.7G146 A148 A175 S181 T186 D187 L188G146-I184 VanDerWaalsContact CA-CD1 3.46Å; A148-I184 HydrophobicContact CB-CG1 3.86Å; A175-I184 HydrophobicContact CB-CG2 4.09Å; S181-I184 PolarHBondContact O-N 2.82Å; I184-T186 VanDerWaalsContact C-N 3.32Å; I184-T186 PolarHBondContact O-N 3.46Å; I184-D187 PolarHBondContact O-N 3.18Å; I184-L188 HydrophobicContact CG2-CD1 3.6Å; I184-L188 HydrophobicContact CG2-CG 3.94Å; I184-L188 VanDerWaalsContact O-CB 3.31Å; I184-L188 WeakPolarHBondContact O-CB 3.47Å; I184-L188 WeakPolarHBondContact O-CG 3.38Å; I184-L188 PolarHBondContact O-N 3.11Å
185I89.2Confident84.6Confident0 Ų038 Ų380%021%0.212CC..Hα-helixtrans-62.8-42.1179.6-70.9174.2000110.8L172 A175 S181 E183 V189 V217 Q220 I221 L224L172-I185 HydrophobicContact CD1-CB 4.32Å; L172-I185 HydrophobicContact CD1-CG1 4.11Å; L172-I185 HydrophobicContact CD1-CG2 4.03Å; A175-I185 HydrophobicContact CB-CG1 4.15Å; S181-I185 VanDerWaalsContact O-CG1 3.29Å; S181-I185 WeakPolarHBondContact O-CG1 3.48Å; S181-I185 PolarHBondContact O-N 3.1Å; E183-I185 VanDerWaalsContact C-N 3.29Å; E183-I185 PolarHBondContact O-N 3.18Å; I185-V189 WeakPolarHBondContact O-CB 3.4Å; I185-V189 VanDerWaalsContact O-CG2 3.26Å; I185-V189 WeakPolarHBondContact O-CG2 3.42Å; I185-V189 PolarHBondContact O-N 2.91Å; I185-V189 VanDerWaalsContact O-N 3.09Å; I185-V217 HydrophobicContact CD1-CB 4.05Å; I185-V217 HydrophobicContact CD1-CG1 3.35Å; I185-V217 HydrophobicContact CD1-CG2 3.82Å; I185-Q220 HydrophobicContact CG2-CG 4.46Å; I185-I221 HydrophobicContact CD1-CD1 4.34Å; I185-I221 HydrophobicContact CD1-CG1 4.34Å; I185-I221 HydrophobicContact CG2-CG1 3.87Å; I185-L224 HydrophobicContact CG2-CD1 3.74Å
186T88.2Confident84.3Confident27 Ų2745.6 Ų45.617%0.16625%0.245CC..Hα-helixtrans-63.9-43.9174.841.10000111.9G182 E183 I184 V189 N190 Q220 L224G182-T186 PolarHBondContact O-N 2.72Å; G182-T186 PolarHBondContact O-OG1 3.1Å; E183-T186 WeakPolarHBondContact CA-OG1 3.45Å; E183-T186 PolarHBondContact O-N 3.18Å; E183-T186 PolarHBondContact O-OG1 3.17Å; I184-T186 VanDerWaalsContact C-N 3.32Å; I184-T186 PolarHBondContact O-N 3.46Å; T186-V189 PolarHBondContact O-N 3.21Å; T186-N190 VanDerWaalsContact O-CB 3.25Å; T186-N190 WeakPolarHBondContact O-CB 3.49Å; T186-N190 PolarHBondContact O-N 2.9Å; T186-N190 PolarHBondContact O-ND2 3.13Å; T186-N190 VanDerWaalsContact O-ND2 3.15Å; T186-Q220 HydrophobicContact CG2-CG 3.96Å; T186-L224 HydrophobicContact CG2-CD1 4.04Å; T186-L224 HydrophobicContact CG2-CD2 4.36Å
187D88.8Confident84.4Confident43 Ų4346.3 Ų46.323%0.2325%0.249CC..Hα-helixtrans-67.6-45.5-177.3-71.1-13.2000111.7N152 E183 I184 V189 N190 R191N152-D187 PolarHBondContact ND2-OD2 3.5Å; N152-D187 PolarHBondContact OD1-OD2 3.44Å; E183-D187 PolarHBondContact O-N 3.43Å; I184-D187 PolarHBondContact O-N 3.18Å; D187-V189 PolarHBondContact O-N 2.98Å; D187-N190 PolarHBondContact O-N 2.9Å; D187-R191 WeakPolarHBondContact O-CB 3.14Å; D187-R191 WeakPolarHBondContact O-CG 3.45Å; D187-R191 PolarHBondContact O-N 3.47Å
188L91.5Very high84.6Confident1 Ų152.6 Ų52.61%0.00528%0.276CS..Hα-helixtrans-57.4-49.8174.8-71.5175.3000110.6I155 V161 P171 L172 A175 I184 R191 G192 A193I155-L188 HydrophobicContact CD1-CD2 3.91Å; V161-L188 HydrophobicContact CG1-CB 4.28Å; V161-L188 HydrophobicContact CG1-CD2 3.83Å; V161-L188 WeakPolarHBondContact CG1-O 3.23Å; P171-L188 HydrophobicContact CB-CD1 3.88Å; P171-L188 HydrophobicContact CB-CD2 4.03Å; L172-L188 HydrophobicContact CB-CD1 4.49Å; L172-L188 HydrophobicContact CD1-CB 4.44Å; L172-L188 HydrophobicContact CD1-CD1 4.32Å; A175-L188 HydrophobicContact CB-CD1 4.47Å; I184-L188 HydrophobicContact CG2-CD1 3.6Å; I184-L188 HydrophobicContact CG2-CG 3.94Å; I184-L188 VanDerWaalsContact O-CB 3.31Å; I184-L188 WeakPolarHBondContact O-CB 3.47Å; I184-L188 WeakPolarHBondContact O-CG 3.38Å; I184-L188 PolarHBondContact O-N 3.11Å; L188-R191 CarbonylContact O-C 3.51Å; L188-R191 PolarHBondContact O-N 3.08Å; L188-G192 PolarHBondContact O-N 3.44Å; L188-A193 HydrophobicContact CB-CB 3.88Å; L188-A193 WeakPolarHBondContact O-CB 3.49Å; L188-A193 PolarHBondContact O-N 2.8Å
189V88.4Confident85Confident22 Ų2252.1 Ų52.113%0.13327%0.274CS..Hα-helixtrans-65.6-41.5-179.5171.40000112.1L172 I185 T186 D187 R191 G192 A193 I195 L224L172-V189 HydrophobicContact CD1-CG2 4.21Å; I185-V189 WeakPolarHBondContact O-CB 3.4Å; I185-V189 VanDerWaalsContact O-CG2 3.26Å; I185-V189 WeakPolarHBondContact O-CG2 3.42Å; I185-V189 PolarHBondContact O-N 2.91Å; I185-V189 VanDerWaalsContact O-N 3.09Å; T186-V189 PolarHBondContact O-N 3.21Å; D187-V189 PolarHBondContact O-N 2.98Å; V189-R191 PolarHBondContact O-N 3.39Å; V189-G192 PolarHBondContact O-N 3.4Å; V189-A193 HydrophobicContact CG2-CB 4.46Å; V189-I195 HydrophobicContact CG1-CD1 3.83Å; V189-I195 HydrophobicContact CG1-CG1 4.25Å; V189-I195 HydrophobicContact CG2-CD1 3.91Å; V189-I195 HydrophobicContact CG2-CG1 3.65Å; V189-L224 HydrophobicContact CB-CD1 4.04Å; V189-L224 HydrophobicContact CG1-CB 4.2Å; V189-L224 HydrophobicContact CG1-CD1 4.34Å; V189-L224 HydrophobicContact CG1-CD2 4.18Å; V189-L224 HydrophobicContact CG1-CG 4.48Å; V189-L224 HydrophobicContact CG2-CD1 3.95Å
190N88.4Confident86.1Confident107 Ų10752.4 Ų52.457%0.57228%0.275SS*.Hα-helixtrans-61.8-32.8176.8-75.3-25.2000111.9T186 D187 G192T186-N190 VanDerWaalsContact O-CB 3.25Å; T186-N190 WeakPolarHBondContact O-CB 3.49Å; T186-N190 PolarHBondContact O-N 2.9Å; T186-N190 PolarHBondContact O-ND2 3.13Å; T186-N190 VanDerWaalsContact O-ND2 3.15Å; D187-N190 PolarHBondContact O-N 2.9Å; N190-G192 PolarHBondContact O-N 2.54Å
191R88.7Confident87Confident103 Ų10352.6 Ų52.639%0.38927%0.266SS..THydrogen-bonded Turntrans-84.29175.3-64.3173.2-177.8-97.210.6113.8N152 V161 D187 L188 V189N152-R191 PolarHBondContact OD1-NE 2.92Å; N152-R191 PolarHBondContact OD1-NH2 3.12Å; V161-R191 HydrophobicContact CG2-CB 3.98Å; D187-R191 WeakPolarHBondContact O-CB 3.14Å; D187-R191 WeakPolarHBondContact O-CG 3.45Å; D187-R191 PolarHBondContact O-N 3.47Å; L188-R191 CarbonylContact O-C 3.51Å; L188-R191 PolarHBondContact O-N 3.08Å; V189-R191 PolarHBondContact O-N 3.39Å
192G87.6Confident87.8Confident47 Ų4754.3 Ų54.349%0.48528%0.284SS..THydrogen-bonded Turntrans93.920.8173.900000115.2N162 L188 V189 N190 N194N162-G192 PolarHBondContact ND2-O 2.84Å; N162-G192 VanDerWaalsContact ND2-O 3.12Å; L188-G192 PolarHBondContact O-N 3.44Å; V189-G192 PolarHBondContact O-N 3.4Å; N190-G192 PolarHBondContact O-N 2.54Å; G192-N194 PolarHBondContact O-N 3.27Å
193A89.9Confident88.5Confident4 Ų455 Ų553%0.03329%0.285CS..  trans-60129.816900000110.6V161 N162 L188 V189 I195V161-A193 HydrophobicContact CG1-CB 3.58Å; N162-A193 WeakPolarHBondContact OD1-CA 3.49Å; L188-A193 HydrophobicContact CB-CB 3.88Å; L188-A193 WeakPolarHBondContact O-CB 3.49Å; L188-A193 PolarHBondContact O-N 2.8Å; V189-A193 HydrophobicContact CG2-CB 4.46Å; A193-I195 PolarHBondContact O-N 2.83Å
194N88.4Confident88.7Confident71 Ų7149.7 Ų49.738%0.3826%0.261SS..  trans-82.2107.3177.3-1786.2000111.1N162 G192 K196 T197N162-N194 PolarHBondContact OD1-N 3.05Å; G192-N194 PolarHBondContact O-N 3.27Å; N194-K196 PolarHBondContact O-N 3.18Å; N194-K196 PolarHBondContact OD1-N 3.11Å; N194-T197 VanDerWaalsContact CB-OG1 3.29Å; N194-T197 WeakPolarHBondContact CB-OG1 3.45Å; N194-T197 WeakPolarHBondContact O-CB 3.25Å; N194-T197 PolarHBondContact O-N 3.12Å; N194-T197 PolarHBondContact O-OG1 3.31Å
195I84.6Confident88.7Confident12 Ų1249.6 Ų49.66%0.06226%0.261CS..THydrogen-bonded Turntrans-62.4-27.9179.9-53.9173.3000112.4L172 V189 A193 T197 I221 L224L172-I195 HydrophobicContact CD2-CB 4.42Å; L172-I195 HydrophobicContact CD2-CG1 4.34Å; V189-I195 HydrophobicContact CG1-CD1 3.83Å; V189-I195 HydrophobicContact CG1-CG1 4.25Å; V189-I195 HydrophobicContact CG2-CD1 3.91Å; V189-I195 HydrophobicContact CG2-CG1 3.65Å; A193-I195 PolarHBondContact O-N 2.83Å; I195-T197 VanDerWaalsContact C-N 3.32Å; I195-I221 HydrophobicContact CG2-CG2 3.76Å; I195-L224 HydrophobicContact CD1-CB 3.96Å
196K83.9Confident88.6Confident158 Ų15851 Ų5169%0.68727%0.268SS*.THydrogen-bonded Turntrans-88.91.3-177-63-175.8179.4-179.90113.5N194 K198N194-K196 PolarHBondContact O-N 3.18Å; N194-K196 PolarHBondContact OD1-N 3.11Å; K196-K198 PolarHBondContact O-N 3.36Å
197T88.9Confident88.6Confident15 Ų1552.4 Ų52.49%0.09228%0.275CS..  trans-59.9133.2177.4-50.40000108.7T170 H173 N194 I195T170-T197 HydrophobicContact CG2-CG2 3.83Å; H173-T197 PolarHBondContact CE1-O 3.36Å; H173-T197 VanDerWaalsContact CE1-O 3.31Å; H173-T197 PolarHBondContact NE2-O 3.28Å; H173-T197 VanDerWaalsContact NE2-O 3.12Å; N194-T197 VanDerWaalsContact CB-OG1 3.29Å; N194-T197 WeakPolarHBondContact CB-OG1 3.45Å; N194-T197 WeakPolarHBondContact O-CB 3.25Å; N194-T197 PolarHBondContact O-N 3.12Å; N194-T197 PolarHBondContact O-OG1 3.31Å; I195-T197 VanDerWaalsContact C-N 3.32Å
198K91.8Very high88.6Confident135 Ų13550.3 Ų50.359%0.58726%0.264SS*.BIsolated β-bridgetrans-105.6141.8172.2-65.9-177.4178.1-169.70108.9K196 E203 T204K196-K198 PolarHBondContact O-N 3.36Å; K198-E203 WeakPolarHBondContact CA-O 3.32Å; K198-T204 HydrophobicContact CG-CG2 3.79Å
199D89.7Confident88.4Confident9 Ų950.3 Ų50.35%0.04826%0.263CS..  trans-76.2179.6167.475.32.3000111.2F167 R169 F201 G202 E203F167-D199 WeakPolarHBondContact O-CB 3.48Å; R169-D199 HydrophobicContact CG-CB 3.9Å; R169-D199 IonicContact NE-OD2 2.91Å; D199-F201 PolarHBondContact O-N 3.29Å; D199-F201 WeakPolarHBondContact OD1-CA 3.41Å; D199-F201 WeakPolarHBondContact OD1-CB 3.29Å; D199-F201 PolarHBondContact OD1-N 2.97Å; D199-G202 PolarHBondContact O-N 2.93Å; D199-G202 PolarHBondContact OD1-N 2.76Å; D199-E203 PolarHBondContact N-O 2.92Å; D199-E203 WeakPolarHBondContact OD1-CB 3.41Å; D199-E203 PolarHBondContact OD1-N 3.03Å
200I90Very high88.3Confident121 Ų12156 Ų5662%0.62128%0.282SS*.THydrogen-bonded Turntrans-62.6-23.9179.3-70.3-177.6000111.9K166 F167 G202K166-I200 WeakPolarHBondContact O-CD1 3.37Å; F167-I200 WeakPolarHBondContact O-CB 3.46Å; F167-I200 WeakPolarHBondContact O-CG1 3.39Å; F167-I200 PolarHBondContact O-N 3.05Å; I200-G202 PolarHBondContact O-N 3.35Å
201F86Confident88.1Confident86 Ų8656.5 Ų56.538%0.37728%0.276SS..THydrogen-bonded Turntrans-84.20.5176.4-50.1-69.7000112.4K40 F167 D199 E203K40-F201 HydrophobicContact CB-CZ 4.3Å; K40-F201 HydrophobicContact CD-CD1 4.41Å; K40-F201 HydrophobicContact CD-CD2 4.1Å; K40-F201 HydrophobicContact CD-CE1 4.17Å; K40-F201 HydrophobicContact CD-CE2 3.85Å; K40-F201 HydrophobicContact CD-CG 4.37Å; K40-F201 HydrophobicContact CD-CZ 3.89Å; K40-F201 HydrophobicContact CG-CD2 4.34Å; K40-F201 HydrophobicContact CG-CE2 3.73Å; K40-F201 HydrophobicContact CG-CZ 3.92Å; F167-F201 HydrophobicContact CB-CE2 3.96Å; F167-F201 AromaticContact CD1-CE2 3.96Å; F167-F201 HydrophobicContact CD1-CE2 3.96Å; F167-F201 AromaticContact CD1-CZ 3.73Å; F167-F201 HydrophobicContact CD1-CZ 3.73Å; F167-F201 HydrophobicContact CD2-CE2 4.47Å; F167-F201 HydrophobicContact CE1-CZ 4.06Å; F167-F201 AromaticContact CG-CE2 3.88Å; F167-F201 HydrophobicContact CG-CE2 3.88Å; F167-F201 HydrophobicContact CG-CZ 4.11Å; D199-F201 PolarHBondContact O-N 3.29Å; D199-F201 WeakPolarHBondContact OD1-CA 3.41Å; D199-F201 WeakPolarHBondContact OD1-CB 3.29Å; D199-F201 PolarHBondContact OD1-N 2.97Å; F201-E203 VanDerWaalsContact C-N 3.26Å; F201-E203 HydrophobicContact CB-CG 3.98Å; F201-E203 PolarHBondContact O-N 3.2Å
202G88.5Confident87.9Confident36 Ų3653.2 Ų53.237%0.37126%0.264SS..SBendtrans78.59.3-178.500000113.8D199 I200D199-G202 PolarHBondContact O-N 2.93Å; D199-G202 PolarHBondContact OD1-N 2.76Å; I200-G202 PolarHBondContact O-N 3.35Å
203E89.5Confident87.6Confident23 Ų2353.1 Ų53.111%0.10726%0.263CS..  trans-85.3131.1-176.3-55.9174.6174.100109.4K40 H173 K198 D199 F201 D207 I208 R211K40-E203 IonicContact NZ-OE1 2.83Å; K40-E203 PolarHBondContact NZ-OE1 3.41Å; K40-E203 IonicContact NZ-OE2 3.18Å; H173-E203 PolarHBondContact NE2-O 3.08Å; K198-E203 WeakPolarHBondContact CA-O 3.32Å; D199-E203 PolarHBondContact N-O 2.92Å; D199-E203 WeakPolarHBondContact OD1-CB 3.41Å; D199-E203 PolarHBondContact OD1-N 3.03Å; F201-E203 VanDerWaalsContact C-N 3.26Å; F201-E203 HydrophobicContact CB-CG 3.98Å; F201-E203 PolarHBondContact O-N 3.2Å; E203-D207 HydrophobicContact CB-CB 4.48Å; E203-I208 HydrophobicContact CB-CG1 4.17Å; E203-R211 IonicContact OE1-CZ 3.41Å; E203-R211 IonicContact OE1-NH1 3.6Å; E203-R211 PolarHBondContact OE1-NH1 2.94Å; E203-R211 IonicContact OE1-NH2 2.65Å; E203-R211 PolarHBondContact OE1-NH2 2.94Å; E203-R211 IonicContact OE2-CZ 3.12Å; E203-R211 VanDerWaalsContact OE2-CZ 3.3Å; E203-R211 IonicContact OE2-NH1 2.68Å; E203-R211 PolarHBondContact OE2-NH1 3.43Å; E203-R211 IonicContact OE2-NH2 3.58Å; E203-R211 PolarHBondContact OE2-NH2 3.06Å
204T91.1Very high87.2Confident22 Ų2253.3 Ų53.314%0.13526%0.264CS..BIsolated β-bridgetrans-88.2163.1167.265.10000110.2K198 L206 D207 I208K198-T204 HydrophobicContact CG-CG2 3.79Å; T204-L206 PolarHBondContact O-N 2.89Å; T204-L206 VanDerWaalsContact O-N 3.09Å; T204-D207 WeakPolarHBondContact CB-OD2 3.25Å; T204-D207 PolarHBondContact N-OD2 2.5Å; T204-D207 WeakPolarHBondContact O-CB 3.08Å; T204-D207 PolarHBondContact O-N 3.09Å; T204-D207 VanDerWaalsContact OG1-CG 3.25Å; T204-D207 PolarHBondContact OG1-N 3.41Å; T204-D207 PolarHBondContact OG1-OD2 2.81Å; T204-I208 PolarHBondContact O-N 2.64Å
205A89Confident86.9Confident0 Ų059.8 Ų59.80%028%0.283CS..Hα-helixtrans-53.1-31.6171.500000112.9L172 A176 A209 I221L172-A205 HydrophobicContact CB-CB 4.4Å; L172-A205 HydrophobicContact CD2-CB 3.92Å; L172-A205 HydrophobicContact CG-CB 3.77Å; A176-A205 HydrophobicContact CB-CB 4.13Å; A176-A205 VanDerWaalsContact CB-O 3.23Å; A176-A205 WeakPolarHBondContact CB-O 3.28Å; A205-A209 WeakPolarHBondContact O-CB 3.49Å; A205-A209 PolarHBondContact O-N 3.04Å; A205-I221 HydrophobicContact CB-CD1 4.27Å
206L87.8Confident86.8Confident29 Ų2964.9 Ų64.915%0.15231%0.306CS..Hα-helixtrans-67.3-38.1174.4-177.166000112.4T204 A209 R210 I218 I221 L222T204-L206 PolarHBondContact O-N 2.89Å; T204-L206 VanDerWaalsContact O-N 3.09Å; L206-A209 PolarHBondContact O-N 3.03Å; L206-R210 VanDerWaalsContact O-CG 3.32Å; L206-R210 WeakPolarHBondContact O-CG 3.43Å; L206-R210 PolarHBondContact O-N 3.47Å; L206-I218 HydrophobicContact CD1-CG2 4.03Å; L206-I221 HydrophobicContact CB-CG2 4.16Å; L206-I221 HydrophobicContact CD1-CB 4.36Å; L206-I221 HydrophobicContact CD1-CG2 4.12Å; L206-L222 HydrophobicContact CD1-CD2 4.32Å; L206-L222 HydrophobicContact CD1-CG 4.15Å; L206-L222 HydrophobicContact CD2-CD2 4.04Å
207D89Confident86.8Confident56 Ų5657.3 Ų57.330%0.29927%0.273SS..Hα-helixtrans-71.5-39.4-179.5-57.8-46.2000111.2E203 T204 R210 R211E203-D207 HydrophobicContact CB-CB 4.48Å; T204-D207 WeakPolarHBondContact CB-OD2 3.25Å; T204-D207 PolarHBondContact N-OD2 2.5Å; T204-D207 WeakPolarHBondContact O-CB 3.08Å; T204-D207 PolarHBondContact O-N 3.09Å; T204-D207 VanDerWaalsContact OG1-CG 3.25Å; T204-D207 PolarHBondContact OG1-N 3.41Å; T204-D207 PolarHBondContact OG1-OD2 2.81Å; D207-R210 WeakPolarHBondContact O-CB 3.42Å; D207-R210 PolarHBondContact O-N 3.01Å; D207-R210 IonicContact OD1-NH1 3.73Å; D207-R211 PolarHBondContact O-N 3.37Å
208I87.3Confident86.5Confident0 Ų058.1 Ų58.10%028%0.276CS..Hα-helixtrans-60.2-50.8171.3-63.5178.2000109.8L44 H173 A176 A177 E203 T204 R210 R211 Y212L44-I208 HydrophobicContact CD2-CD1 4.09Å; L44-I208 HydrophobicContact CD2-CG2 4.44Å; H173-I208 HydrophobicContact CB-CD1 3.7Å; A176-I208 HydrophobicContact CB-CB 4.45Å; A176-I208 HydrophobicContact CB-CG2 4.36Å; A177-I208 HydrophobicContact CB-CG2 4.14Å; E203-I208 HydrophobicContact CB-CG1 4.17Å; T204-I208 PolarHBondContact O-N 2.64Å; I208-R210 PolarHBondContact O-N 3.16Å; I208-R210 VanDerWaalsContact O-N 3.17Å; I208-R211 WeakPolarHBondContact O-CB 3.29Å; I208-R211 PolarHBondContact O-N 3.17Å; I208-Y212 HydrophobicContact CG2-CD2 3.82Å; I208-Y212 HydrophobicContact CG2-CE2 3.67Å; I208-Y212 VanDerWaalsContact O-CD2 3.29Å; I208-Y212 WeakPolarHBondContact O-CD2 3.42Å; I208-Y212 PolarHBondContact O-N 3.28Å; I208-Y212 VanDerWaalsContact O-N 3.16Å
209A87.7Confident86Confident0 Ų059 Ų590%028%0.281CS..Hα-helixtrans-57.3-34.5178.200000113.3A176 A205 L206 G213 N214 V217 I218 I221A176-A209 HydrophobicContact CB-CB 4.18Å; A205-A209 WeakPolarHBondContact O-CB 3.49Å; A205-A209 PolarHBondContact O-N 3.04Å; L206-A209 PolarHBondContact O-N 3.03Å; A209-G213 PolarHBondContact O-N 3.49Å; A209-G213 VanDerWaalsContact O-N 3.14Å; A209-N214 PolarHBondContact O-N 2.79Å; A209-V217 HydrophobicContact CB-CB 4.42Å; A209-V217 HydrophobicContact CB-CG1 3.64Å; A209-I218 HydrophobicContact CB-CG1 3.73Å; A209-I221 HydrophobicContact CB-CD1 4.45Å
210R85.9Confident85.5Confident142 Ų14260.5 Ų60.554%0.53629%0.287SS..Hα-helixtrans-67.4-42174.4-77.6169.3170.2170.1-5.9112.3L206 D207 I208 Y212 G213 I218L206-R210 VanDerWaalsContact O-CG 3.32Å; L206-R210 WeakPolarHBondContact O-CG 3.43Å; L206-R210 PolarHBondContact O-N 3.47Å; D207-R210 WeakPolarHBondContact O-CB 3.42Å; D207-R210 PolarHBondContact O-N 3.01Å; D207-R210 IonicContact OD1-NH1 3.73Å; I208-R210 PolarHBondContact O-N 3.16Å; I208-R210 VanDerWaalsContact O-N 3.17Å; R210-Y212 VanDerWaalsContact C-N 3.35Å; R210-Y212 PolarHBondContact O-N 3.4Å; R210-G213 PolarHBondContact O-N 2.93Å; R210-G213 VanDerWaalsContact O-N 3.1Å; R210-I218 HydrophobicContact CG-CD1 3.98Å; R210-I218 HydrophobicContact CG-CG1 4.35Å
211R84.9Confident85.2Confident118 Ų11854.9 Ų54.945%0.44526%0.258SS..Hα-helixtrans-58.8-46.1177.2-175.6-176.5-57.3135.318.6111.7E203 D207 I208 G213E203-R211 IonicContact OE1-CZ 3.41Å; E203-R211 IonicContact OE1-NH1 3.6Å; E203-R211 PolarHBondContact OE1-NH1 2.94Å; E203-R211 IonicContact OE1-NH2 2.65Å; E203-R211 PolarHBondContact OE1-NH2 2.94Å; E203-R211 IonicContact OE2-CZ 3.12Å; E203-R211 VanDerWaalsContact OE2-CZ 3.3Å; E203-R211 IonicContact OE2-NH1 2.68Å; E203-R211 PolarHBondContact OE2-NH1 3.43Å; E203-R211 IonicContact OE2-NH2 3.58Å; E203-R211 PolarHBondContact OE2-NH2 3.06Å; D207-R211 PolarHBondContact O-N 3.37Å; I208-R211 WeakPolarHBondContact O-CB 3.29Å; I208-R211 PolarHBondContact O-N 3.17Å; R211-G213 PolarHBondContact O-N 3.13Å
212Y83.9Confident84.8Confident34 Ų3455 Ų5513%0.13326%0.262CS..THydrogen-bonded Turntrans-78.1-6.4177.7-69.4-80.5000113.9H5 E41 L44 A177 I208 R210 N214H5-Y212 AromaticContact CE1-CD1 3.89Å; E41-Y212 WeakPolarHBondContact OE1-CE1 3.32Å; E41-Y212 VanDerWaalsContact OE1-CZ 3.23Å; E41-Y212 PolarHBondContact OE1-OH 3.14Å; E41-Y212 PolarHBondContact OE2-OH 3.41Å; L44-Y212 WeakPolarHBondContact CB-OH 3.26Å; L44-Y212 HydrophobicContact CD1-CE2 4.14Å; L44-Y212 WeakPolarHBondContact CD1-OH 3.04Å; A177-Y212 HydrophobicContact CB-CD2 3.89Å; A177-Y212 HydrophobicContact CB-CE2 3.46Å; A177-Y212 VanDerWaalsContact CB-CE2 3.46Å; I208-Y212 HydrophobicContact CG2-CD2 3.82Å; I208-Y212 HydrophobicContact CG2-CE2 3.67Å; I208-Y212 VanDerWaalsContact O-CD2 3.29Å; I208-Y212 WeakPolarHBondContact O-CD2 3.42Å; I208-Y212 PolarHBondContact O-N 3.28Å; I208-Y212 VanDerWaalsContact O-N 3.16Å; R210-Y212 VanDerWaalsContact C-N 3.35Å; R210-Y212 PolarHBondContact O-N 3.4Å; Y212-N214 VanDerWaalsContact C-N 3.28Å; Y212-N214 PolarHBondContact O-N 3.1Å
213G81.5Confident84.3Confident45 Ų4561.8 Ų61.846%0.46428%0.277SS..THydrogen-bonded Turntrans69.922.4-179.200000114A209 R210 R211 R215A209-G213 PolarHBondContact O-N 3.49Å; A209-G213 VanDerWaalsContact O-N 3.14Å; R210-G213 PolarHBondContact O-N 2.93Å; R210-G213 VanDerWaalsContact O-N 3.1Å; R211-G213 PolarHBondContact O-N 3.13Å; G213-R215 VanDerWaalsContact C-N 3.3Å; G213-R215 PolarHBondContact O-N 3.23Å
214N82.8Confident83.8Confident8 Ų861.4 Ų61.44%0.04328%0.275CS..  trans-74.176.2-175.2-70.1-20.6000111.6A176 A177 L179 A209 Y212 H216 V217 I218A176-N214 PolarHBondContact O-ND2 3.13Å; A177-N214 VanDerWaalsContact C-ND2 3.29Å; A177-N214 PolarHBondContact O-ND2 2.98Å; L179-N214 WeakPolarHBondContact CD1-OD1 3.37Å; A209-N214 PolarHBondContact O-N 2.79Å; Y212-N214 VanDerWaalsContact C-N 3.28Å; Y212-N214 PolarHBondContact O-N 3.1Å; N214-H216 VanDerWaalsContact C-N 3.27Å; N214-H216 PolarHBondContact O-N 2.95Å; N214-V217 HydrophobicContact CB-CB 3.92Å; N214-V217 HydrophobicContact CB-CG2 4.18Å; N214-V217 PolarHBondContact O-N 3.26Å; N214-I218 VanDerWaalsContact O-CG1 3.26Å; N214-I218 WeakPolarHBondContact O-CG1 3.3Å; N214-I218 PolarHBondContact O-N 3.25Å
215R81.1Confident83.1Confident206 Ų20662.5 Ų62.578%0.77728%0.284SS*.Hα-helixtrans-54.4-38.8-174.5-65.9-176-177.6-173.60.6113.8G213 K219G213-R215 VanDerWaalsContact C-N 3.3Å; G213-R215 PolarHBondContact O-N 3.23Å; R215-K219 WeakPolarHBondContact O-CG 3.45Å; R215-K219 PolarHBondContact O-N 3.07Å; R215-K219 VanDerWaalsContact O-N 3.1Å
216H82.4Confident82.1Confident119 Ų11969.5 Ų69.555%0.55131%0.311SS*.Hα-helixtrans-65.9-50.4179.7-17573.6000111.3N214 I218 K219 Q220N214-H216 VanDerWaalsContact C-N 3.27Å; N214-H216 PolarHBondContact O-N 2.95Å; H216-I218 PolarHBondContact O-N 3.14Å; H216-K219 PolarHBondContact O-N 3.34Å; H216-Q220 PolarHBondContact O-N 3.1Å
217V84.9Confident81.4Confident0 Ų071.7 Ų71.70%032%0.322CS..Hα-helixtrans-58.2-45.3175.3166.70000111.7A176 I185 A209 N214 K219 Q220 I221A176-V217 HydrophobicContact CB-CG1 4.31Å; I185-V217 HydrophobicContact CD1-CB 4.05Å; I185-V217 HydrophobicContact CD1-CG1 3.35Å; I185-V217 HydrophobicContact CD1-CG2 3.82Å; A209-V217 HydrophobicContact CB-CB 4.42Å; A209-V217 HydrophobicContact CB-CG1 3.64Å; N214-V217 HydrophobicContact CB-CB 3.92Å; N214-V217 HydrophobicContact CB-CG2 4.18Å; N214-V217 PolarHBondContact O-N 3.26Å; V217-K219 VanDerWaalsContact C-N 3.35Å; V217-K219 PolarHBondContact O-N 2.91Å; V217-Q220 PolarHBondContact O-N 3.43Å; V217-Q220 VanDerWaalsContact O-N 3.13Å; V217-I221 HydrophobicContact CG1-CD1 3.59Å; V217-I221 HydrophobicContact CG1-CG1 4.19Å; V217-I221 WeakPolarHBondContact O-CG1 3.06Å; V217-I221 PolarHBondContact O-N 3.34Å
218I82.7Confident80.6Confident31 Ų3173 Ų7316%0.15933%0.326CS..Hα-helixtrans-56.9-48.9177.7-67.5165.3000110.6L206 A209 R210 N214 H216 Q220 I221 L222L206-I218 HydrophobicContact CD1-CG2 4.03Å; A209-I218 HydrophobicContact CB-CG1 3.73Å; R210-I218 HydrophobicContact CG-CD1 3.98Å; R210-I218 HydrophobicContact CG-CG1 4.35Å; N214-I218 VanDerWaalsContact O-CG1 3.26Å; N214-I218 WeakPolarHBondContact O-CG1 3.3Å; N214-I218 PolarHBondContact O-N 3.25Å; H216-I218 PolarHBondContact O-N 3.14Å; I218-Q220 VanDerWaalsContact C-N 3.29Å; I218-Q220 PolarHBondContact O-N 2.9Å; I218-I221 PolarHBondContact O-N 2.98Å; I218-L222 HydrophobicContact CG2-CD1 3.81Å; I218-L222 HydrophobicContact CG2-CG 4.44Å; I218-L222 WeakPolarHBondContact O-CB 3.48Å; I218-L222 VanDerWaalsContact O-CG 3.23Å; I218-L222 WeakPolarHBondContact O-CG 3.12Å; I218-L222 PolarHBondContact O-N 3.46Å
219K79.8Confident79.6Confident155 Ų15578.8 Ų78.867%0.67435%0.348SS*.Hα-helixtrans-59.6-42177.4-75.3179.4178.9-175.40111.3R215 H216 V217 R223R215-K219 WeakPolarHBondContact O-CG 3.45Å; R215-K219 PolarHBondContact O-N 3.07Å; R215-K219 VanDerWaalsContact O-N 3.1Å; H216-K219 PolarHBondContact O-N 3.34Å; V217-K219 VanDerWaalsContact C-N 3.35Å; V217-K219 PolarHBondContact O-N 2.91Å; K219-R223 WeakPolarHBondContact O-CB 3.38Å; K219-R223 PolarHBondContact O-N 2.68Å
220Q80.6Confident78.4Confident39 Ų3980.3 Ų80.318%0.18236%0.358CS..Hα-helixtrans-67.4-47.3-178.6-158.370.8-19.700112.1I185 T186 H216 V217 I218 L222 R223 L224I185-Q220 HydrophobicContact CG2-CG 4.46Å; T186-Q220 HydrophobicContact CG2-CG 3.96Å; H216-Q220 PolarHBondContact O-N 3.1Å; V217-Q220 PolarHBondContact O-N 3.43Å; V217-Q220 VanDerWaalsContact O-N 3.13Å; I218-Q220 VanDerWaalsContact C-N 3.29Å; I218-Q220 PolarHBondContact O-N 2.9Å; Q220-L222 VanDerWaalsContact C-N 3.34Å; Q220-L222 PolarHBondContact O-N 3.04Å; Q220-R223 PolarHBondContact O-N 3.43Å; Q220-L224 HydrophobicContact CG-CD1 4.23Å; Q220-L224 WeakPolarHBondContact O-CB 3.47Å; Q220-L224 VanDerWaalsContact O-CG 3.29Å; Q220-L224 WeakPolarHBondContact O-CG 3.39Å; Q220-L224 PolarHBondContact O-N 3.35Å
221I82.8Confident77.4Confident4 Ų479.7 Ų79.72%0.02136%0.359CS..Hα-helixtrans-61.1-43.2176.4-67.2173.1000110.8A176 I185 I195 A205 L206 A209 V217 I218 L224 S225A176-I221 HydrophobicContact CB-CD1 4.41Å; I185-I221 HydrophobicContact CD1-CD1 4.34Å; I185-I221 HydrophobicContact CD1-CG1 4.34Å; I185-I221 HydrophobicContact CG2-CG1 3.87Å; I195-I221 HydrophobicContact CG2-CG2 3.76Å; A205-I221 HydrophobicContact CB-CD1 4.27Å; L206-I221 HydrophobicContact CB-CG2 4.16Å; L206-I221 HydrophobicContact CD1-CB 4.36Å; L206-I221 HydrophobicContact CD1-CG2 4.12Å; A209-I221 HydrophobicContact CB-CD1 4.45Å; V217-I221 HydrophobicContact CG1-CD1 3.59Å; V217-I221 HydrophobicContact CG1-CG1 4.19Å; V217-I221 WeakPolarHBondContact O-CG1 3.06Å; V217-I221 PolarHBondContact O-N 3.34Å; I218-I221 PolarHBondContact O-N 2.98Å; I221-L224 PolarHBondContact O-N 3Å; I221-S225 VanDerWaalsContact O-CB 3.23Å; I221-S225 WeakPolarHBondContact O-CB 3.5Å; I221-S225 PolarHBondContact O-N 2.71Å
222L78.4Confident76.4Confident87 Ų8778.7 Ų78.746%0.45537%0.37SS..Hα-helixtrans-62.2-44.3177.1-74.2171.2000111.9L206 I218 Q220 S225 W226L206-L222 HydrophobicContact CD1-CD2 4.32Å; L206-L222 HydrophobicContact CD1-CG 4.15Å; L206-L222 HydrophobicContact CD2-CD2 4.04Å; I218-L222 HydrophobicContact CG2-CD1 3.81Å; I218-L222 HydrophobicContact CG2-CG 4.44Å; I218-L222 WeakPolarHBondContact O-CB 3.48Å; I218-L222 VanDerWaalsContact O-CG 3.23Å; I218-L222 WeakPolarHBondContact O-CG 3.12Å; I218-L222 PolarHBondContact O-N 3.46Å; Q220-L222 VanDerWaalsContact C-N 3.34Å; Q220-L222 PolarHBondContact O-N 3.04Å; L222-S225 PolarHBondContact O-N 3.21Å; L222-W226 WeakPolarHBondContact O-CB 3.27Å; L222-W226 PolarHBondContact O-N 3.3Å
223R77.8Confident75.2Confident179 Ų17979.9 Ų79.968%0.67539%0.387SS*.Hα-helixtrans-60.7-44.7175.9-177.7-178.8179.1-176.50.3111.7K219 Q220 W226 L227K219-R223 WeakPolarHBondContact O-CB 3.38Å; K219-R223 PolarHBondContact O-N 2.68Å; Q220-R223 PolarHBondContact O-N 3.43Å; R223-W226 PolarHBondContact O-N 2.84Å; R223-L227 PolarHBondContact O-N 3.37Å
224L78.4Confident73.7Confident15 Ų1585.3 Ų85.38%0.07940%0.398CS..Hα-helixtrans-68.9-42-179.9-72.7170000112.5I185 T186 V189 I195 Q220 I221 W226 L227 Q228I185-L224 HydrophobicContact CG2-CD1 3.74Å; T186-L224 HydrophobicContact CG2-CD1 4.04Å; T186-L224 HydrophobicContact CG2-CD2 4.36Å; V189-L224 HydrophobicContact CB-CD1 4.04Å; V189-L224 HydrophobicContact CG1-CB 4.2Å; V189-L224 HydrophobicContact CG1-CD1 4.34Å; V189-L224 HydrophobicContact CG1-CD2 4.18Å; V189-L224 HydrophobicContact CG1-CG 4.48Å; V189-L224 HydrophobicContact CG2-CD1 3.95Å; I195-L224 HydrophobicContact CD1-CB 3.96Å; Q220-L224 HydrophobicContact CG-CD1 4.23Å; Q220-L224 WeakPolarHBondContact O-CB 3.47Å; Q220-L224 VanDerWaalsContact O-CG 3.29Å; Q220-L224 WeakPolarHBondContact O-CG 3.39Å; Q220-L224 PolarHBondContact O-N 3.35Å; I221-L224 PolarHBondContact O-N 3Å; L224-W226 VanDerWaalsContact C-N 3.3Å; L224-W226 PolarHBondContact O-N 3.3Å; L224-L227 PolarHBondContact O-N 2.85Å; L224-Q228 PolarHBondContact O-N 2.85Å
225S76.1Confident72.1Confident45 Ų4587.6 Ų87.632%0.31541%0.414SS..Hα-helixtrans-59.3-42.9173.7179.50000111.4I221 L222 Q228 R229I221-S225 VanDerWaalsContact O-CB 3.23Å; I221-S225 WeakPolarHBondContact O-CB 3.5Å; I221-S225 PolarHBondContact O-N 2.71Å; L222-S225 PolarHBondContact O-N 3.21Å; S225-Q228 PolarHBondContact O-N 3.07Å; S225-R229 WeakPolarHBondContact O-CB 3.41Å; S225-R229 PolarHBondContact O-N 3.23Å
226W68.4Low70.7Confident148 Ų14886.1 Ų86.156%0.56142%0.415SS*.Hα-helixtrans-61.1-47.4173.4179.284.3000111.9L222 R223 L224 Q228 R229 C230L222-W226 WeakPolarHBondContact O-CB 3.27Å; L222-W226 PolarHBondContact O-N 3.3Å; R223-W226 PolarHBondContact O-N 2.84Å; L224-W226 VanDerWaalsContact C-N 3.3Å; L224-W226 PolarHBondContact O-N 3.3Å; W226-Q228 VanDerWaalsContact C-N 3.33Å; W226-Q228 PolarHBondContact O-N 2.97Å; W226-R229 WeakPolarHBondContact O-CB 3.39Å; W226-R229 PolarHBondContact O-N 3.23Å; W226-C230 VanDerWaalsContact CZ2-SG 3.59Å; W226-C230 PolarHBondContact O-N 2.76Å; W226-C230 PolarHBondContact O-SG 3.41Å; W226-C230 VanDerWaalsContact O-SG 3.37Å
227L73.9Confident69.1Low74 Ų7486.4 Ų86.439%0.38741%0.413SS..Hα-helixtrans-60.1-42.2178.2-174.468.3000112R223 L224 C230 K231R223-L227 PolarHBondContact O-N 3.37Å; L224-L227 PolarHBondContact O-N 2.85Å; L227-C230 PolarHBondContact O-N 2.72Å; L227-K231 WeakPolarHBondContact O-CG 3.35Å; L227-K231 PolarHBondContact O-N 3.01Å
228Q71Confident67.6Low83 Ų8391 Ų9139%0.38844%0.444SS..Hα-helixtrans-63-42.8176.8-170.2178.3600111.3L224 S225 W226 C230 K231 S232L224-Q228 PolarHBondContact O-N 2.85Å; S225-Q228 PolarHBondContact O-N 3.07Å; W226-Q228 VanDerWaalsContact C-N 3.33Å; W226-Q228 PolarHBondContact O-N 2.97Å; Q228-C230 VanDerWaalsContact C-N 3.34Å; Q228-C230 PolarHBondContact O-N 2.82Å; Q228-K231 PolarHBondContact O-N 2.97Å; Q228-S232 PolarHBondContact O-N 2.8Å; Q228-S232 PolarHBondContact O-OG 2.96Å
229R65.7Low65.5Low123 Ų12396.4 Ų96.446%0.46447%0.474SS..Hα-helixtrans-62.2-40174.8-174.7178.4177.9-173.9-3.2112S225 W226 S232 A233 Y252S225-R229 WeakPolarHBondContact O-CB 3.41Å; S225-R229 PolarHBondContact O-N 3.23Å; W226-R229 WeakPolarHBondContact O-CB 3.39Å; W226-R229 PolarHBondContact O-N 3.23Å; R229-S232 WeakPolarHBondContact CA-OG 3.39Å; R229-S232 PolarHBondContact O-N 3.05Å; R229-S232 PolarHBondContact O-OG 2.88Å; R229-A233 WeakPolarHBondContact O-CB 3.44Å; R229-A233 PolarHBondContact O-N 3.44Å; R229-Y252 VanDerWaalsContact NH1-CD1 3.29Å; R229-Y252 VanDerWaalsContact NH2-CD2 3.33Å
230C62.5Low63.8Low31 Ų3194.4 Ų94.421%0.20947%0.469CS..Hα-helixtrans-64.4-38.9175.6-70.30000112.3W226 L227 Q228 A233 K234W226-C230 VanDerWaalsContact CZ2-SG 3.59Å; W226-C230 PolarHBondContact O-N 2.76Å; W226-C230 PolarHBondContact O-SG 3.41Å; W226-C230 VanDerWaalsContact O-SG 3.37Å; L227-C230 PolarHBondContact O-N 2.72Å; Q228-C230 VanDerWaalsContact C-N 3.34Å; Q228-C230 PolarHBondContact O-N 2.82Å; C230-A233 PolarHBondContact O-N 2.83Å; C230-K234 PolarHBondContact O-N 2.89Å
231K64.9Low61.7Low130 Ų13098 Ų9857%0.56550%0.496SS*.Hα-helixtrans-63.5-44.2174.4-71.4177.2-178.8-179.50111.6L227 Q228 K234L227-K231 WeakPolarHBondContact O-CG 3.35Å; L227-K231 PolarHBondContact O-N 3.01Å; Q228-K231 PolarHBondContact O-N 2.97Å; K231-K234 WeakPolarHBondContact O-CG 3.01Å; K231-K234 PolarHBondContact O-N 3.07Å
232S64.1Low59.7Low96 Ų96105.8 Ų105.867%0.67154%0.537SS*.Hα-helixtrans-71.7-29.4178.9630000113.4Q228 R229 K234Q228-S232 PolarHBondContact O-N 2.8Å; Q228-S232 PolarHBondContact O-OG 2.96Å; R229-S232 WeakPolarHBondContact CA-OG 3.39Å; R229-S232 PolarHBondContact O-N 3.05Å; R229-S232 PolarHBondContact O-OG 2.88Å; S232-K234 PolarHBondContact O-N 3.35Å
233A58.4Low57.6Low60 Ų60112.3 Ų112.350%0.49656%0.555SS.*THydrogen-bonded Turntrans-82.54.4179.700000113.6R229 C230 P235R229-A233 WeakPolarHBondContact O-CB 3.44Å; R229-A233 PolarHBondContact O-N 3.44Å; C230-A233 PolarHBondContact O-N 2.83Å; A233-P235 VanDerWaalsContact O-CD 3.26Å; A233-P235 WeakPolarHBondContact O-CD 3.46Å
234K51.5Low55.5Low158 Ų158107.5 Ų107.569%0.68755%0.554SS**  trans-53.9115.5172.6-80.8-174.4177.5-1760108C230 K231 S232 Q236C230-K234 PolarHBondContact O-N 2.89Å; K231-K234 WeakPolarHBondContact O-CG 3.01Å; K231-K234 PolarHBondContact O-N 3.07Å; S232-K234 PolarHBondContact O-N 3.35Å; K234-Q236 PolarHBondContact O-N 2.99Å
235P49.7Very low53.2Low57 Ų57116.1 Ų116.137%0.3759%0.591SS.*  trans-62126.7-175.422.6-31.8000109.6A233 Y237A233-P235 VanDerWaalsContact O-CD 3.26Å; A233-P235 WeakPolarHBondContact O-CD 3.46Å; P235-Y237 HydrophobicContact CB-CE1 4.37Å; P235-Y237 HydrophobicContact CG-CD2 4.42Å; P235-Y237 HydrophobicContact CG-CE1 3.94Å; P235-Y237 HydrophobicContact CG-CE2 3.75Å; P235-Y237 VanDerWaalsContact CG-CZ 3.47Å; P235-Y237 WeakPolarHBondContact CG-OH 3.33Å; P235-Y237 VanDerWaalsContact O-CD2 3.29Å; P235-Y237 WeakPolarHBondContact O-CD2 3.35Å; P235-Y237 PolarHBondContact O-N 2.8Å; P235-Y237 VanDerWaalsContact O-N 3.1Å
236Q51.7Low51Low174 Ų174122.4 Ų122.481%0.81362%0.615SS**  trans-71100.5165.5-69.4-179-9.300106.7K234 S238K234-Q236 PolarHBondContact O-N 2.99Å; Q236-S238 PolarHBondContact O-N 2.95Å
237Y48.7Very low49Very low126 Ų126121.8 Ų121.849%0.49462%0.62SS.*THydrogen-bonded Turntrans-71.117.3-175.8-70.1-76.5000114.2P235 I240P235-Y237 HydrophobicContact CB-CE1 4.37Å; P235-Y237 HydrophobicContact CG-CD2 4.42Å; P235-Y237 HydrophobicContact CG-CE1 3.94Å; P235-Y237 HydrophobicContact CG-CE2 3.75Å; P235-Y237 VanDerWaalsContact CG-CZ 3.47Å; P235-Y237 WeakPolarHBondContact CG-OH 3.33Å; P235-Y237 VanDerWaalsContact O-CD2 3.29Å; P235-Y237 WeakPolarHBondContact O-CD2 3.35Å; P235-Y237 PolarHBondContact O-N 2.8Å; P235-Y237 VanDerWaalsContact O-N 3.1Å; Y237-I240 HydrophobicContact CD1-CG1 4.47Å; Y237-I240 WeakPolarHBondContact O-CD1 3.43Å
238S51.6Low46.8Very low95 Ų95122.7 Ų122.766%0.66463%0.631SS**THydrogen-bonded Turntrans-73.7-29.5-17954.50000113.2Q236Q236-S238 PolarHBondContact O-N 2.95Å
239N40.2Very low44.9Very low146 Ų146124.2 Ų124.278%0.78164%0.642SS**  trans-136.189.8178.3-82.3-32.3000110.5P241N239-P241 VanDerWaalsContact O-CD 3.22Å; N239-P241 WeakPolarHBondContact O-CD 3.44Å
240I44.3Very low43.2Very low113 Ų113120.9 Ų120.958%0.57964%0.638SS**  trans-79.7111.8170-60.297.1000107.9Y237 L242Y237-I240 HydrophobicContact CD1-CG1 4.47Å; Y237-I240 WeakPolarHBondContact O-CD1 3.43Å; I240-L242 PolarHBondContact O-N 3.04Å; I240-L242 VanDerWaalsContact O-N 3.13Å
241P36Very low42.1Very low113 Ų113122.7 Ų122.773%0.73466%0.655SS**  trans-68.4115.4171.524.7-26.9000109.1N239 R243N239-P241 VanDerWaalsContact O-CD 3.22Å; N239-P241 WeakPolarHBondContact O-CD 3.44Å; P241-R243 PolarHBondContact O-N 2.91Å
242L40Very low41Very low169 Ų169123 Ų12389%0.88565%0.654SS**SBendtrans-67.517.4-171.2-88.7164.4000116.2I240I240-L242 PolarHBondContact O-N 3.04Å; I240-L242 VanDerWaalsContact O-N 3.13Å
243R35.5Very low40Very low224 Ų224121.1 Ų121.185%0.84564%0.639SS**  trans-133.489.9177-68.6-167.9-168.3-143.14.4111.8P241 F245P241-R243 PolarHBondContact O-N 2.91Å; R243-F245 PolarHBondContact O-N 3.12Å
244A32.2Very low39.1Very low77 Ų77122.5 Ų122.564%0.63663%0.634SS**THydrogen-bonded Turntrans-71.30.2-177.400000115.4
245F30.6Very low38.8Very low196 Ų196120.5 Ų120.586%0.8662%0.622SS**THydrogen-bonded Turntrans-86.9-8.7-170.9-151.7-95.7000115.4R243R243-F245 PolarHBondContact O-N 3.12Å
246Q29.3Very low38.4Very low177 Ų177122.3 Ų122.383%0.82762%0.622SS**SBendtrans-113.411.8-169.2-81.9-174.8-23.500117.1
247M26.8Very low37.8Very low136 Ų136122.2 Ų122.267%0.6761%0.614SS**  trans-133.842-173.4-67.2-169.614900114.4D249M247-D249 VanDerWaalsContact C-N 3.3Å; M247-D249 PolarHBondContact O-N 3.13Å; M247-D249 VanDerWaalsContact O-N 3.17Å
248C28Very low37.5Very low92 Ų92118.2 Ų118.262%0.62260%0.601SS**  trans-82.160.7175.8-64.90000112.1
249D30.7Very low37.1Very low115 Ų115122.3 Ų122.362%0.61562%0.615SS**  trans-159.2109.4169.8-95-34.3000110.4M247M247-D249 VanDerWaalsContact C-N 3.3Å; M247-D249 PolarHBondContact O-N 3.13Å; M247-D249 VanDerWaalsContact O-N 3.17Å
250S30.4Very low37.1Very low53 Ų53121.8 Ų121.837%0.37161%0.612SS.*  trans168.5140.2145.441.80000111.3Y252 L268S250-Y252 PolarHBondContact O-N 3.15Å; S250-L268 CarbonylContact C-O 3.45Å; S250-L268 VanDerWaalsContact O-O 3.06Å
251A40Very low36.9Very low69 Ų69117.3 Ų117.357%0.5759%0.593SS**SBendtrans-63.223.1-173.900000116.7
252Y41.2Very low36.8Very low137 Ų137117.9 Ų117.954%0.53759%0.586SS.*SBendtrans-137.7124.7179.2-62.4-76.8000110.9R229 S250 K254R229-Y252 VanDerWaalsContact NH1-CD1 3.29Å; R229-Y252 VanDerWaalsContact NH2-CD2 3.33Å; S250-Y252 PolarHBondContact O-N 3.15Å; Y252-K254 PolarHBondContact O-N 3.42Å
253P42.3Very low36.6Very low56 Ų56114.4 Ų114.436%0.36457%0.567SS.*PPolyproline II helixtrans-61.9129-170.321-30.7000112.1L265P253-L265 HydrophobicContact CB-CD1 3.78Å; P253-L265 HydrophobicContact CB-CD2 3.74Å; P253-L265 HydrophobicContact CB-CG 3.52Å; P253-L265 HydrophobicContact CG-CD1 4.05Å; P253-L265 HydrophobicContact CG-CD2 3.92Å; P253-L265 HydrophobicContact CG-CG 4.11Å
254K41.1Very low36.7Very low89 Ų89109.4 Ų109.439%0.38755%0.549SS..EExtended strand (participates in β ladder)trans-92.2133.5168.3-70-179.7-178.9173.80108.9Y252 Q266 L268Y252-K254 PolarHBondContact O-N 3.42Å; K254-Q266 PolarHBondContact O-N 2.83Å; K254-L268 HydrophobicContact CB-CD1 4.49Å
255W43.6Very low37.1Very low116 Ų116110.2 Ų110.244%0.43954%0.543SS..EExtended strand (participates in β ladder)trans-66.3128.8171-69.293.4000109.7I263 L265W255-I263 HydrophobicContact CB-CG2 4.23Å; W255-I263 HydrophobicContact CD2-CG2 4.35Å; W255-I263 HydrophobicContact CE3-CG2 3.53Å; W255-I263 HydrophobicContact CZ3-CG2 4.22Å; W255-L265 HydrophobicContact CD2-CD1 4.29Å; W255-L265 HydrophobicContact CZ2-CD1 4.27Å
256R42.1Very low37.6Very low96 Ų96104.9 Ų104.936%0.36252%0.521SS..EExtended strand (participates in β ladder)trans-119.9152.1175.3-71.3-73.3-171.8-150.32.4109.7I263 Y264 Q266R256-I263 CarbonylContact O-C 3.6Å; R256-I263 VanDerWaalsContact O-CA 3.25Å; R256-I263 WeakPolarHBondContact O-CA 3.44Å; R256-I263 WeakPolarHBondContact O-CG2 3.22Å; R256-Y264 PolarHBondContact N-O 3.39Å; R256-Y264 PolarHBondContact O-N 3.43Å; R256-Q266 HydrophobicContact CG-CB 4.38Å
257R40.1Very low37.8Very low172 Ų172105 Ų10565%0.64952%0.518SS*.EExtended strand (participates in β ladder)trans-111.2127.8173-175.9172.8164.8149.412.1107.9Q262R257-Q262 CarbonylContact C-O 3.56Å; R257-Q262 VanDerWaalsContact CA-O 3.29Å; R257-Q262 WeakPolarHBondContact CA-O 3.45Å
258N42.4Very low38.4Very low42 Ų42100 Ų10023%0.22549%0.494CS..  trans-73.7172171.364.212.1000110.7N260 G261 Q262 Y264N258-N260 PolarHBondContact O-N 3.21Å; N258-N260 VanDerWaalsContact OD1-C 3.3Å; N258-N260 WeakPolarHBondContact OD1-CA 3.42Å; N258-N260 PolarHBondContact OD1-N 3.21Å; N258-N260 VanDerWaalsContact OD1-N 3.17Å; N258-G261 PolarHBondContact O-N 2.76Å; N258-G261 PolarHBondContact OD1-N 3.02Å; N258-Q262 PolarHBondContact N-O 3.42Å; N258-Q262 PolarHBondContact ND2-OE1 2.91Å; N258-Q262 WeakPolarHBondContact OD1-CA 3.49Å; N258-Q262 WeakPolarHBondContact OD1-CB 3.2Å; N258-Q262 PolarHBondContact OD1-N 3.14Å; N258-Q262 PolarHBondContact OD1-O 3.44Å; N258-Y264 HydrophobicContact CB-CE1 3.87Å
259L43Very low38.6Very low181 Ų18199.5 Ų99.595%0.94849%0.488SS*.THydrogen-bonded Turntrans-55.9-30.6175.4-67.9166.7000112.2G261L259-G261 PolarHBondContact O-N 3.44Å
260N40.1Very low38.9Very low135 Ų13596.9 Ų96.972%0.72248%0.478SS*.THydrogen-bonded Turntrans-81.41.3179.1-57.3-1.2000113.3N258 Q262N258-N260 PolarHBondContact O-N 3.21Å; N258-N260 VanDerWaalsContact OD1-C 3.3Å; N258-N260 WeakPolarHBondContact OD1-CA 3.42Å; N258-N260 PolarHBondContact OD1-N 3.21Å; N258-N260 VanDerWaalsContact OD1-N 3.17Å; N260-Q262 PolarHBondContact O-N 3.44Å
261G39.7Very low39.1Very low19 Ų19106.8 Ų106.820%0.19651%0.507CS..SBendtrans82.53.5176.900000117.5N258 L259N258-G261 PolarHBondContact O-N 2.76Å; N258-G261 PolarHBondContact OD1-N 3.02Å; L259-G261 PolarHBondContact O-N 3.44Å
262Q33.2Very low39Very low124 Ų124104.3 Ų104.358%0.57949%0.488SS*.  trans-77.2135.1175.4-58.3167.5-23.300110.4R257 N258 N260R257-Q262 CarbonylContact C-O 3.56Å; R257-Q262 VanDerWaalsContact CA-O 3.29Å; R257-Q262 WeakPolarHBondContact CA-O 3.45Å; N258-Q262 PolarHBondContact N-O 3.42Å; N258-Q262 PolarHBondContact ND2-OE1 2.91Å; N258-Q262 WeakPolarHBondContact OD1-CA 3.49Å; N258-Q262 WeakPolarHBondContact OD1-CB 3.2Å; N258-Q262 PolarHBondContact OD1-N 3.14Å; N258-Q262 PolarHBondContact OD1-O 3.44Å; N260-Q262 PolarHBondContact O-N 3.44Å
263I36.6Very low38.7Very low96 Ų96104.9 Ų104.949%0.49250%0.495SS..EExtended strand (participates in β ladder)trans-96.1124.2-178.5-45.1178.9000108.7W255 R256W255-I263 HydrophobicContact CB-CG2 4.23Å; W255-I263 HydrophobicContact CD2-CG2 4.35Å; W255-I263 HydrophobicContact CE3-CG2 3.53Å; W255-I263 HydrophobicContact CZ3-CG2 4.22Å; R256-I263 CarbonylContact O-C 3.6Å; R256-I263 VanDerWaalsContact O-CA 3.25Å; R256-I263 WeakPolarHBondContact O-CA 3.44Å; R256-I263 WeakPolarHBondContact O-CG2 3.22Å
264Y37.7Very low38.7Very low119 Ų119105.3 Ų105.347%0.46749%0.49SS..EExtended strand (participates in β ladder)trans-138.5161.9178.168.1-79.4000112.6R256 N258R256-Y264 PolarHBondContact N-O 3.39Å; R256-Y264 PolarHBondContact O-N 3.43Å; N258-Y264 HydrophobicContact CB-CE1 3.87Å
265L41.2Very low38.5Very low94 Ų94109.6 Ų109.649%0.49252%0.516SS..EExtended strand (participates in β ladder)trans-96111.7-170.1-161.696.5000110.5P253 W255P253-L265 HydrophobicContact CB-CD1 3.78Å; P253-L265 HydrophobicContact CB-CD2 3.74Å; P253-L265 HydrophobicContact CB-CG 3.52Å; P253-L265 HydrophobicContact CG-CD1 4.05Å; P253-L265 HydrophobicContact CG-CD2 3.92Å; P253-L265 HydrophobicContact CG-CG 4.11Å; W255-L265 HydrophobicContact CD2-CD1 4.29Å; W255-L265 HydrophobicContact CZ2-CD1 4.27Å
266Q39.8Very low38.2Very low85 Ų85106 Ų10640%0.39752%0.516SS..EExtended strand (participates in β ladder)trans-92.8127.4177.9-165.9174.112.400111.5K254 R256K254-Q266 PolarHBondContact O-N 2.83Å; R256-Q266 HydrophobicContact CG-CB 4.38Å
267K33.8Very low38Very low179 Ų179104.3 Ų104.378%0.77852%0.519SS*.  trans-83.2120.8-179.6-144.8172.9-174.7177.30109.4
268L39.7Very low37.9Very low31 Ų31100.9 Ų100.916%0.16251%0.506CS..  trans-12558.6-169.4-73.7163.4000112.5S250 K254S250-L268 CarbonylContact C-O 3.45Å; S250-L268 VanDerWaalsContact O-O 3.06Å; K254-L268 HydrophobicContact CB-CD1 4.49Å
269T32.8Very low37.8Very low81 Ų81106.8 Ų106.850%0.49754%0.536SS..  trans-81.3138167.447.50000110.4
270P36.8Very low37.6Very low61 Ų61103.9 Ų103.940%0.39652%0.522SS..  trans-60.7159.7171.8-15.928.8000111.3G272P270-G272 PolarHBondContact O-N 3.14Å
271R33.8Very low37.6Very low261 Ų26197.8 Ų97.899%0.98549%0.491SS*.THydrogen-bonded Turntrans-65.890.3-175.2-123.2-172.6-175.2-174.42.3111.3
272G38.4Very low37.6Very low17 Ų1798.9 Ų98.918%0.17549%0.494CS..THydrogen-bonded Turntrans112.919.4161.600000118.5P270 Y285P270-G272 PolarHBondContact O-N 3.14Å; G272-Y285 WeakPolarHBondContact O-CE2 3.36Å; G272-Y285 PolarHBondContact O-OH 2.73Å
273E35.4Very low38.2Very low148 Ų148101 Ų10169%0.69250%0.501SS*.  trans-124130.5170.4-70.1-174.6172.700111.9
274Y41.8Very low38.5Very low65 Ų65105 Ų10526%0.25551%0.51SS..  trans-129.7121.2176.7170.9-99.7000109G276 S277 D280 A281 Y285Y274-G276 VanDerWaalsContact CE1-CA 3.42Å; Y274-G276 WeakPolarHBondContact CE1-O 3.2Å; Y274-G276 VanDerWaalsContact CZ-CA 3.46Å; Y274-G276 WeakPolarHBondContact OH-CA 3.44Å; Y274-S277 VanDerWaalsContact CE1-O 3.25Å; Y274-S277 WeakPolarHBondContact CE1-O 3.44Å; Y274-S277 PolarHBondContact OH-O 2.71Å; Y274-D280 WeakPolarHBondContact OH-CA 3.18Å; Y274-D280 WeakPolarHBondContact OH-CB 3.38Å; Y274-D280 PolarHBondContact OH-O 2.9Å; Y274-A281 HydrophobicContact CD1-CB 3.78Å; Y274-A281 HydrophobicContact CE1-CB 3.37Å; Y274-A281 HydrophobicContact CE2-CB 4.35Å; Y274-A281 HydrophobicContact CG-CB 4.41Å; Y274-A281 VanDerWaalsContact CZ-CA 3.44Å; Y274-A281 PolarHBondContact OH-N 3.17Å; Y274-A281 VanDerWaalsContact OH-N 3.14Å; Y274-Y285 HydrophobicContact CD1-CD1 4.38Å; Y274-Y285 HydrophobicContact CD1-CE1 4.44Å; Y274-Y285 HydrophobicContact CG-CD1 4.3Å; Y274-Y285 HydrophobicContact CG-CE1 4.38Å; Y274-Y285 PolarHBondContact N-OH 2.65Å
275L37.3Very low38.7Very low179 Ų179100.5 Ų100.594%0.93749%0.493SS*.  trans-101.525.6-172.3-90.4152000113.7
276G37.3Very low38.9Very low42 Ų42100.7 Ų100.743%0.43349%0.487SS..SBendtrans-117.7-178.217800000113.5Y274Y274-G276 VanDerWaalsContact CE1-CA 3.42Å; Y274-G276 WeakPolarHBondContact CE1-O 3.2Å; Y274-G276 VanDerWaalsContact CZ-CA 3.46Å; Y274-G276 WeakPolarHBondContact OH-CA 3.44Å
277S37.1Very low39.3Very low59 Ų59100.9 Ų100.941%0.41350%0.495SS..  trans-71.1149.3173.7840000111Y274 L279 D280 A281Y274-S277 VanDerWaalsContact CE1-O 3.25Å; Y274-S277 WeakPolarHBondContact CE1-O 3.44Å; Y274-S277 PolarHBondContact OH-O 2.71Å; S277-L279 PolarHBondContact O-N 2.69Å; S277-L279 VanDerWaalsContact O-N 3.13Å; S277-D280 PolarHBondContact O-N 3.5Å; S277-D280 PolarHBondContact OG-OD2 3.41Å; S277-A281 PolarHBondContact O-N 2.93Å
278R38.6Very low39.9Very low100 Ų10097.7 Ų97.738%0.37748%0.482SS..G310 helixtrans-55.4-30.4179.6-177.5173.7-178.7160.93112.4D280 A281 L289 E290R278-D280 VanDerWaalsContact C-N 3.29Å; R278-D280 PolarHBondContact O-N 3.44Å; R278-A281 VanDerWaalsContact O-CB 3.29Å; R278-A281 WeakPolarHBondContact O-CB 3.49Å; R278-A281 PolarHBondContact O-N 3.32Å; R278-L289 HydrophobicContact CB-CD1 4.05Å; R278-L289 HydrophobicContact CG-CD1 3.88Å; R278-E290 IonicContact CZ-OE1 3.76Å; R278-E290 IonicContact NH1-OE1 3.44Å; R278-E290 IonicContact NH2-OE1 3.89Å; R278-E290 PolarHBondContact NH2-OE1 3.48Å
279L39.3Very low40.1Very low166 Ų16698.7 Ų98.787%0.86949%0.487SS*.G310 helixtrans-65.7-32.8177.9-69.9168.9000112.5S277S277-L279 PolarHBondContact O-N 2.69Å; S277-L279 VanDerWaalsContact O-N 3.13Å
280D39.3Very low40.6Very low120 Ų12098.8 Ų98.864%0.64248%0.482SS*.G310 helixtrans-89.7-5.9177.5-57.1-50.2000111.8Y274 S277 R278Y274-D280 WeakPolarHBondContact OH-CA 3.18Å; Y274-D280 WeakPolarHBondContact OH-CB 3.38Å; Y274-D280 PolarHBondContact OH-O 2.9Å; S277-D280 PolarHBondContact O-N 3.5Å; S277-D280 PolarHBondContact OG-OD2 3.41Å; R278-D280 VanDerWaalsContact C-N 3.29Å; R278-D280 PolarHBondContact O-N 3.44Å
281A39.1Very low40.8Very low8 Ų8103.4 Ų103.47%0.06650%0.5CS..SBendtrans-77.2131.7-175.400000111.4Y274 S277 R278 K283 W286 L289Y274-A281 HydrophobicContact CD1-CB 3.78Å; Y274-A281 HydrophobicContact CE1-CB 3.37Å; Y274-A281 HydrophobicContact CE2-CB 4.35Å; Y274-A281 HydrophobicContact CG-CB 4.41Å; Y274-A281 VanDerWaalsContact CZ-CA 3.44Å; Y274-A281 PolarHBondContact OH-N 3.17Å; Y274-A281 VanDerWaalsContact OH-N 3.14Å; S277-A281 PolarHBondContact O-N 2.93Å; R278-A281 VanDerWaalsContact O-CB 3.29Å; R278-A281 WeakPolarHBondContact O-CB 3.49Å; R278-A281 PolarHBondContact O-N 3.32Å; A281-K283 PolarHBondContact O-N 3.46Å; A281-W286 PolarHBondContact O-NE1 3.01Å; A281-W286 VanDerWaalsContact O-NE1 3.1Å; A281-L289 HydrophobicContact CB-CD1 4.13Å
282P40.9Very low41.2Very low42 Ų4297 Ų9727%0.27349%0.489SS..  trans-55.6136.7172-23.533000111.8W284 Y285P282-W284 HydrophobicContact CB-CD2 4.48Å; P282-W284 HydrophobicContact CB-CG 4.29Å; P282-W284 HydrophobicContact CB-CZ2 4.47Å; P282-W284 PolarHBondContact O-N 2.95Å; P282-Y285 WeakPolarHBondContact O-CB 3.48Å; P282-Y285 PolarHBondContact O-N 3.49Å
283K44.5Very low41Very low167 Ų16798.9 Ų98.973%0.72650%0.495SS*.G310 helixtrans-49.1-33.2-176.2-75.8-175.7176.8-179.30114.4A281 Y285 W286A281-K283 PolarHBondContact O-N 3.46Å; K283-Y285 PolarHBondContact O-N 3Å; K283-W286 HydrophobicContact CG-CH2 4.31Å; K283-W286 HydrophobicContact CG-CZ2 3.96Å; K283-W286 WeakPolarHBondContact O-CB 3.18Å; K283-W286 PolarHBondContact O-N 2.97Å
284W44.7Very low41.2Very low180 Ų18096.4 Ų96.468%0.68249%0.49SS*.G310 helixtrans-67.8-16.2179.561.8-98.3000114.5P282P282-W284 HydrophobicContact CB-CD2 4.48Å; P282-W284 HydrophobicContact CB-CG 4.29Å; P282-W284 HydrophobicContact CB-CZ2 4.47Å; P282-W284 PolarHBondContact O-N 2.95Å
285Y41.9Very low41Very low25 Ų25103.3 Ų103.310%0.09852%0.516CS..G310 helixtrans-94.2-11179.8-166.6-100.3000113.4G272 Y274 P282 K283 P287 K288 L289G272-Y285 WeakPolarHBondContact O-CE2 3.36Å; G272-Y285 PolarHBondContact O-OH 2.73Å; Y274-Y285 HydrophobicContact CD1-CD1 4.38Å; Y274-Y285 HydrophobicContact CD1-CE1 4.44Å; Y274-Y285 HydrophobicContact CG-CD1 4.3Å; Y274-Y285 HydrophobicContact CG-CE1 4.38Å; Y274-Y285 PolarHBondContact N-OH 2.65Å; P282-Y285 WeakPolarHBondContact O-CB 3.48Å; P282-Y285 PolarHBondContact O-N 3.49Å; K283-Y285 PolarHBondContact O-N 3Å; Y285-P287 VanDerWaalsContact C-N 3.34Å; Y285-K288 HydrophobicContact CD2-CD 4.46Å; Y285-K288 HydrophobicContact CE2-CB 4.31Å; Y285-K288 HydrophobicContact CE2-CD 4.01Å; Y285-K288 PolarHBondContact O-N 3.48Å; Y285-K288 VanDerWaalsContact O-N 3.1Å; Y285-L289 HydrophobicContact CD1-CD1 3.86Å; Y285-L289 HydrophobicContact CD1-CD2 4.41Å; Y285-L289 HydrophobicContact CD1-CG 3.78Å; Y285-L289 HydrophobicContact CE1-CD1 4.18Å; Y285-L289 HydrophobicContact CE1-CD2 3.88Å; Y285-L289 HydrophobicContact CE1-CG 3.69Å
286W43.9Very low41.3Very low99 Ų99103.3 Ų103.338%0.37551%0.508SS..Hα-helixtrans-55.6-37.8-177.3-67.312.5000114.5A281 K283 K288 L289 E290A281-W286 PolarHBondContact O-NE1 3.01Å; A281-W286 VanDerWaalsContact O-NE1 3.1Å; K283-W286 HydrophobicContact CG-CH2 4.31Å; K283-W286 HydrophobicContact CG-CZ2 3.96Å; K283-W286 WeakPolarHBondContact O-CB 3.18Å; K283-W286 PolarHBondContact O-N 2.97Å; W286-K288 PolarHBondContact O-N 3.3Å; W286-L289 PolarHBondContact O-N 2.78Å; W286-E290 PolarHBondContact O-N 2.7Å
287P48.3Very low41.6Very low88 Ų88105.6 Ų105.657%0.57151%0.508SS*.Hα-helixtrans-62.9-25.4178.8-23.434.5000114.1Y285Y285-P287 VanDerWaalsContact C-N 3.34Å
288K46.4Very low41.3Very low113 Ų113106.1 Ų106.149%0.49150%0.504SS..Hα-helixtrans-83.1-27.8178.6-73.7-170.5173.6-168.60113.2Y285 W286 E290Y285-K288 HydrophobicContact CD2-CD 4.46Å; Y285-K288 HydrophobicContact CE2-CB 4.31Å; Y285-K288 HydrophobicContact CE2-CD 4.01Å; Y285-K288 PolarHBondContact O-N 3.48Å; Y285-K288 VanDerWaalsContact O-N 3.1Å; W286-K288 PolarHBondContact O-N 3.3Å; K288-E290 VanDerWaalsContact C-N 3.29Å
289L44.5Very low41.4Very low52 Ų52107.4 Ų107.427%0.27251%0.514SS..Hα-helixtrans-73.6-23.3176.3-72169.6000112.3R278 A281 Y285 W286 M291R278-L289 HydrophobicContact CB-CD1 4.05Å; R278-L289 HydrophobicContact CG-CD1 3.88Å; A281-L289 HydrophobicContact CB-CD1 4.13Å; Y285-L289 HydrophobicContact CD1-CD1 3.86Å; Y285-L289 HydrophobicContact CD1-CD2 4.41Å; Y285-L289 HydrophobicContact CD1-CG 3.78Å; Y285-L289 HydrophobicContact CE1-CD1 4.18Å; Y285-L289 HydrophobicContact CE1-CD2 3.88Å; Y285-L289 HydrophobicContact CE1-CG 3.69Å; W286-L289 PolarHBondContact O-N 2.78Å; L289-M291 VanDerWaalsContact C-N 3.29Å; L289-M291 PolarHBondContact O-N 3.37Å
290E42.9Very low41.7Very low82 Ų82105.9 Ų105.938%0.38351%0.506SS..G310 helixtrans-68.3-26.1176.9-82.4170-169.200113.1R278 W286 K288 V292 L293 M298R278-E290 IonicContact CZ-OE1 3.76Å; R278-E290 IonicContact NH1-OE1 3.44Å; R278-E290 IonicContact NH2-OE1 3.89Å; R278-E290 PolarHBondContact NH2-OE1 3.48Å; W286-E290 PolarHBondContact O-N 2.7Å; K288-E290 VanDerWaalsContact C-N 3.29Å; E290-V292 PolarHBondContact O-N 2.8Å; E290-L293 PolarHBondContact O-N 3.48Å; E290-M298 HydrophobicContact CB-CE 4.07Å; E290-M298 WeakPolarHBondContact O-CE 3.41Å
291M40.8Very low41.7Very low159 Ų159105.5 Ų105.578%0.78350%0.501SS*.G310 helixtrans-64.6-10.6-179.6-73-156.1-58.300114.7L289L289-M291 VanDerWaalsContact C-N 3.29Å; L289-M291 PolarHBondContact O-N 3.37Å
292V43.8Very low41.8Very low126 Ų126107.7 Ų107.776%0.76452%0.519SS*.G310 helixtrans-87.5-9.4177.5-172.60000112.6E290E290-V292 PolarHBondContact O-N 2.8Å
293L34Very low41.9Very low56 Ų56115.6 Ų115.629%0.29354%0.543SS..SBendtrans-103.7112.6173.7-68.4171.3000109.7E290 R295 Q297 M298E290-L293 PolarHBondContact O-N 3.48Å; L293-R295 PolarHBondContact O-N 2.88Å; L293-Q297 HydrophobicContact CB-CB 4.26Å; L293-Q297 HydrophobicContact CD2-CB 4.43Å; L293-M298 HydrophobicContact CB-CG 4.49Å; L293-M298 WeakPolarHBondContact O-CE 3.04Å
294T39Very low42Very low97 Ų97111 Ų11160%0.59553%0.532SS*.  trans-52.7141.4177.447.80000110.7K296 Q297T294-K296 CarbonylContact O-C 3.28Å; T294-K296 PolarHBondContact O-N 3.25Å; T294-Q297 WeakPolarHBondContact O-CB 3.41Å; T294-Q297 PolarHBondContact O-N 2.76Å; T294-Q297 PolarHBondContact OG1-OE1 3.49Å
295R37.9Very low41.9Very low210 Ų210105.6 Ų105.679%0.79252%0.52SS*.Hα-helixtrans-45.9-27.6-172-145.5176.8-169.4178.12.6115.1L293 H299L293-R295 PolarHBondContact O-N 2.88Å; R295-H299 PolarHBondContact O-CD2 2.66Å; R295-H299 PolarHBondContact O-N 3.41Å
296K42.7Very low41.6Very low179 Ų179106.2 Ų106.278%0.77853%0.534SS*.Hα-helixtrans-66.3-40173.2-76.6-174.7174.6-179.30113.3T294T294-K296 CarbonylContact O-C 3.28Å; T294-K296 PolarHBondContact O-N 3.25Å
297Q44.3Very low41.4Very low90 Ų90108.1 Ų108.142%0.42155%0.551SS.*Hα-helixtrans-69-38.5176.9-71.5165.1-34.700111.3L293 T294 H299 L300 E301L293-Q297 HydrophobicContact CB-CB 4.26Å; L293-Q297 HydrophobicContact CD2-CB 4.43Å; T294-Q297 WeakPolarHBondContact O-CB 3.41Å; T294-Q297 PolarHBondContact O-N 2.76Å; T294-Q297 PolarHBondContact OG1-OE1 3.49Å; Q297-H299 PolarHBondContact O-N 3.07Å; Q297-L300 PolarHBondContact O-N 2.98Å; Q297-E301 PolarHBondContact O-N 3.46Å; Q297-E301 VanDerWaalsContact O-N 3.14Å
298M31Very low40.9Very low69 Ų69113.4 Ų113.434%0.3456%0.56SS.*Hα-helixtrans-61.3-39.5176.5-65-162.4-157.900113.4E290 L293 L300 E301 A302E290-M298 HydrophobicContact CB-CE 4.07Å; E290-M298 WeakPolarHBondContact O-CE 3.41Å; L293-M298 HydrophobicContact CB-CG 4.49Å; L293-M298 WeakPolarHBondContact O-CE 3.04Å; M298-L300 VanDerWaalsContact C-N 3.3Å; M298-L300 PolarHBondContact O-N 3.24Å; M298-E301 PolarHBondContact O-N 2.99Å; M298-A302 WeakPolarHBondContact O-CB 3.44Å; M298-A302 PolarHBondContact O-N 3Å
299H40.7Very low40.2Very low127 Ų127113.3 Ų113.359%0.58856%0.563SS**Hα-helixtrans-67.6-30.3178.8-84.9-56.2000113.3R295 Q297 R303R295-H299 PolarHBondContact O-CD2 2.66Å; R295-H299 PolarHBondContact O-N 3.41Å; Q297-H299 PolarHBondContact O-N 3.07Å; H299-R303 PolarHBondContact O-N 3.5Å
300L44.9Very low39.8Very low134 Ų134120.5 Ų120.570%0.70259%0.592SS**Hα-helixtrans-71.2-46.1174.7-80.7157.6000111.1Q297 M298 S304Q297-L300 PolarHBondContact O-N 2.98Å; M298-L300 VanDerWaalsContact C-N 3.3Å; M298-L300 PolarHBondContact O-N 3.24Å; L300-S304 PolarHBondContact O-N 3.38Å
301E39.6Very low39.6Very low113 Ų113121.5 Ų121.553%0.52861%0.608SS.*Hα-helixtrans-71.8-38.8-179-70.5-170.8166.900112.8Q297 M298 R303 S304 T305Q297-E301 PolarHBondContact O-N 3.46Å; Q297-E301 VanDerWaalsContact O-N 3.14Å; M298-E301 PolarHBondContact O-N 2.99Å; E301-R303 VanDerWaalsContact C-N 3.35Å; E301-R303 PolarHBondContact O-N 3.27Å; E301-S304 WeakPolarHBondContact O-CA 3.19Å; E301-S304 WeakPolarHBondContact O-CB 3.36Å; E301-S304 PolarHBondContact O-N 3.12Å; E301-S304 PolarHBondContact O-OG 3.24Å; E301-T305 PolarHBondContact O-N 3.4Å; E301-T305 PolarHBondContact O-OG1 3.28Å
302A40.2Very low39.1Very low54 Ų54116.9 Ų116.945%0.44660%0.595SS.*Hα-helixtrans-65.4-34.1178.500000113M298 S304 T305 G306M298-A302 WeakPolarHBondContact O-CB 3.44Å; M298-A302 PolarHBondContact O-N 3Å; A302-S304 VanDerWaalsContact C-N 3.27Å; A302-S304 PolarHBondContact O-N 3.2Å; A302-T305 PolarHBondContact O-N 3.28Å; A302-T305 PolarHBondContact O-OG1 3.17Å; A302-G306 PolarHBondContact O-N 2.74Å
303R44Very low38.3Very low207 Ų207118.4 Ų118.478%0.78160%0.599SS**Hα-helixtrans-65.4-31.5170.8-81.3-176.6175.2-178.9-0.5112H299 E301H299-R303 PolarHBondContact O-N 3.5Å; E301-R303 VanDerWaalsContact C-N 3.35Å; E301-R303 PolarHBondContact O-N 3.27Å
304S47.4Very low38.2Very low71 Ų71120.3 Ų120.350%0.49761%0.614SS.*Hα-helixtrans-74.4-36.1176.788.40000112.7L300 E301 A302L300-S304 PolarHBondContact O-N 3.38Å; E301-S304 WeakPolarHBondContact O-CA 3.19Å; E301-S304 WeakPolarHBondContact O-CB 3.36Å; E301-S304 PolarHBondContact O-N 3.12Å; E301-S304 PolarHBondContact O-OG 3.24Å; A302-S304 VanDerWaalsContact C-N 3.27Å; A302-S304 PolarHBondContact O-N 3.2Å
305T41.7Very low37.8Very low67 Ų67126 Ų12641%0.41163%0.626SS.*Hα-helixtrans-86-32.9-175.155.20000113.1E301 A302 N307 R308 I309E301-T305 PolarHBondContact O-N 3.4Å; E301-T305 PolarHBondContact O-OG1 3.28Å; A302-T305 PolarHBondContact O-N 3.28Å; A302-T305 PolarHBondContact O-OG1 3.17Å; T305-N307 PolarHBondContact O-N 3.42Å; T305-R308 WeakPolarHBondContact O-CA 3.27Å; T305-R308 PolarHBondContact O-N 2.61Å; T305-I309 PolarHBondContact O-N 3.08Å; T305-I309 VanDerWaalsContact O-N 3.07Å
306G35.2Very low37.6Very low38 Ų38122 Ų12239%0.39263%0.63SS.*Hα-helixtrans-57.8-34.1173.400000112.9A302 R308A302-G306 PolarHBondContact O-N 2.74Å; G306-R308 VanDerWaalsContact C-N 3.3Å; G306-R308 PolarHBondContact O-N 2.82Å
307N40.7Very low36.9Very low139 Ų139119.1 Ų119.174%0.74363%0.632SS**Hα-helixtrans-73.4-19.8174.3-74.7-8.3000113.4T305T305-N307 PolarHBondContact O-N 3.42Å
308R37.5Very low36.1Very low199 Ų199119.4 Ų119.475%0.75165%0.649SS**Hα-helixtrans-92.6-25.7178.3-80-175.1173.2-179.9-1114.3T305 G306 S311T305-R308 WeakPolarHBondContact O-CA 3.27Å; T305-R308 PolarHBondContact O-N 2.61Å; G306-R308 VanDerWaalsContact C-N 3.3Å; G306-R308 PolarHBondContact O-N 2.82Å; R308-S311 PolarHBondContact O-OG 3.33Å; R308-S311 VanDerWaalsContact O-OG 3.04Å
309I32.3Very low36.4Very low111 Ų111129.8 Ų129.857%0.56969%0.692SS**Hα-helixtrans-86.6-30.8-174.6-62.4171.6000111.9T305 S311 A312T305-I309 PolarHBondContact O-N 3.08Å; T305-I309 VanDerWaalsContact O-N 3.07Å; I309-S311 PolarHBondContact O-N 3.3Å; I309-S311 VanDerWaalsContact O-N 3.12Å; I309-A312 PolarHBondContact O-N 3.19Å; I309-A312 VanDerWaalsContact O-N 3.12Å
310K34.5Very low36.1Very low202 Ų202129.9 Ų129.988%0.87870%0.697SS**THydrogen-bonded Turntrans-62.5-19.3176.1-79.7-169.9176.4-1760113.9
311S39.6Very low35.7Very low103 Ų103129.7 Ų129.772%0.7270%0.697SS**THydrogen-bonded Turntrans-89.2-2.7177.4560000114.6R308 I309R308-S311 PolarHBondContact O-OG 3.33Å; R308-S311 VanDerWaalsContact O-OG 3.04Å; I309-S311 PolarHBondContact O-N 3.3Å; I309-S311 VanDerWaalsContact O-N 3.12Å
312A31.2Very low35.5Very low62 Ų62130.6 Ų130.651%0.51271%0.706SS.*SBendtrans-122.112.7-162.400000117.1I309I309-A312 PolarHBondContact O-N 3.19Å; I309-A312 VanDerWaalsContact O-N 3.12Å
313L25.9Very low35.2Very low159 Ų159135.1 Ų135.183%0.83272%0.722SS**  trans-131.194.9172.7-73.5173.1000112.4
314P33.1Very low34.6Very low95 Ų95130.6 Ų130.662%0.61772%0.718SS**  trans-97.5142.5162.339.2-30.8000110.5
315Y30.5Very low33.8Very low218 Ų218134.6 Ų134.686%0.85573%0.733SS**  trans74.488.7164.5-50.8-70.8000118.6
316S32.8Very low33.2Very low125 Ų125139.4 Ų139.487%0.87476%0.756SS**  trans-85.1112.1144.855.90000109.2
317C27Very low33.1Very low119 Ų119147.2 Ų147.280%0.80478%0.784SS**  trans-75.3134.3168.7-78.20000111.7
318A29.3Very low32.4Very low95 Ų95147.9 Ų147.979%0.78579%0.787SS**  trans57.3109.5140.400000119.9
319K35.6Very low32Very low287 Ų287143.3 Ų143.3100%1.24879%0.791SS**  -150.5095.7-95.5-177.4-177.3-178.70109.9

Retrieved 319 of 319 residues in 831.6 ms (Link to these results)

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