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Cytochrome b

Component of the ubiquinol-cytochrome c reductase complex (complex III or cytochrome b-c1 complex) that is part of the mitochondrial respiratory chain. The b-c1 complex mediates electron transfer from ubiquinol to cytochrome c. Contributes to the generation of a proton gradient across the mitochondrial membrane that is then used for ATP synthesis.

AlphaFold DB , UniProt , Accession A0A068IUX4, Species HUMAN (Homo sapiens, Human), Gene CYTB, Length 380 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
1M81.5Confident92.3Very high242 Ų242110.9 Ų110.9100%1.19257%0.573SS**  01330-71.9176.2172.700108.6
2T88.3Confident92.4Very high96 Ų96109.8 Ų109.859%0.58956%0.561SS**  trans-66.8131.9176.1-23.80000108.8K6 I7T2-K6 HydrophobicContact CG2-CB 4.29Å; T2-I7 WeakPolarHBondContact O-CD1 3.45Å
3P93.4Very high92.5Very high60 Ų60110.7 Ų110.739%0.3957%0.566SS.*  trans-68148.9-175.227.8-36000111.3R5 K6P3-R5 HydrophobicContact CB-CG 4.17Å; P3-R5 HydrophobicContact CG-CG 4.11Å; P3-R5 PolarHBondContact O-N 3.12Å; P3-K6 HydrophobicContact CG-CB 4.43Å; P3-K6 HydrophobicContact CG-CD 4.01Å; P3-K6 HydrophobicContact CG-CG 4.03Å; P3-K6 PolarHBondContact O-N 3.41Å
4M93.5Very high92.6Very high137 Ų137109.5 Ų109.568%0.67556%0.56SS**Hα-helixtrans-52.5-34.2179.1-78.4-64.7-176.400113K6 I7 N8 M11M4-K6 PolarHBondContact O-N 3.11Å; M4-I7 PolarHBondContact O-N 3.27Å; M4-N8 PolarHBondContact O-N 2.89Å; M4-M11 HydrophobicContact CB-SD 4.5Å
5R94.8Very high92.8Very high100 Ų100102.2 Ų102.238%0.37752%0.523SS..Hα-helixtrans-59.1-19.1176.980-176.3-161.4-1613.5114.7P3 M11 K12 N15 D20P3-R5 HydrophobicContact CB-CG 4.17Å; P3-R5 HydrophobicContact CG-CG 4.11Å; P3-R5 PolarHBondContact O-N 3.12Å; R5-M11 CarbonylContact O-C 2.9Å; R5-K12 VanDerWaalsContact O-CA 3.31Å; R5-K12 WeakPolarHBondContact O-CA 3.11Å; R5-K12 PolarHBondContact O-N 3.2Å; R5-N15 HydrophobicContact CB-CB 4.41Å; R5-N15 WeakPolarHBondContact CD-OD1 3.17Å; R5-N15 HydrophobicContact CG-CB 4.45Å; R5-N15 WeakPolarHBondContact CG-OD1 3.37Å; R5-N15 PolarHBondContact NE-OD1 3.45Å; R5-N15 VanDerWaalsContact O-CB 3.24Å; R5-N15 WeakPolarHBondContact O-CB 3.39Å; R5-D20 IonicContact CZ-OD1 3.63Å; R5-D20 IonicContact NE-OD2 3.87Å; R5-D20 IonicContact NH2-OD1 2.77Å; R5-D20 PolarHBondContact NH2-OD1 3.43Å; R5-D20 IonicContact NH2-OD2 3.48Å; R5-D20 PolarHBondContact NH2-OD2 2.98Å
6K93.7Very high92.9Very high93 Ų93102.1 Ų102.140%0.40452%0.519SS..Hα-helixtrans-102.3-13177.3-66.5-173.5177.9-170.70113.4T2 P3 M4 D20T2-K6 HydrophobicContact CG2-CB 4.29Å; P3-K6 HydrophobicContact CG-CB 4.43Å; P3-K6 HydrophobicContact CG-CD 4.01Å; P3-K6 HydrophobicContact CG-CG 4.03Å; P3-K6 PolarHBondContact O-N 3.41Å; M4-K6 PolarHBondContact O-N 3.11Å; K6-D20 WeakPolarHBondContact CE-OD2 3.47Å; K6-D20 IonicContact NZ-OD2 3.37Å; K6-D20 PolarHBondContact NZ-OD2 2.8Å
7I94.5Very high92.9Very high98 Ų9897.2 Ų97.250%0.50350%0.497SS..Hα-helixtrans-104.2-50.5-174.8-56.2173000110.9T2 M4T2-I7 WeakPolarHBondContact O-CD1 3.45Å; M4-I7 PolarHBondContact O-N 3.27Å
8N95.7Very high92.8Very high61 Ų6198.3 Ų98.333%0.32650%0.497SS..SBendtrans-63.5128-176175.3-79.9000109.9M4 L10 M11 K12M4-N8 PolarHBondContact O-N 2.89Å; N8-L10 VanDerWaalsContact C-N 3.3Å; N8-L10 PolarHBondContact O-N 3.29Å; N8-L10 PolarHBondContact OD1-N 2.93Å; N8-L10 VanDerWaalsContact OD1-N 3.09Å; N8-M11 HydrophobicContact CB-CB 4.05Å; N8-M11 HydrophobicContact CB-CG 4.08Å; N8-M11 HydrophobicContact CB-SD 4.2Å; N8-M11 PolarHBondContact O-N 3.23Å; N8-M11 PolarHBondContact OD1-N 3.32Å; N8-K12 WeakPolarHBondContact O-CB 3.4Å; N8-K12 PolarHBondContact O-N 2.92Å
9P93.8Very high93Very high106 Ų10695.5 Ų95.569%0.68848%0.483SS*.Hα-helixtrans-55.2-39.4-173-29.235.4000114.8L13P9-L13 PolarHBondContact O-N 2.72Å
10L92.4Very high93.2Very high131 Ų13192.5 Ų92.569%0.68647%0.469SS*.Hα-helixtrans-75.7-47.9178.8-65.4176.2000111.4N8 K12 L13 I14N8-L10 VanDerWaalsContact C-N 3.3Å; N8-L10 PolarHBondContact O-N 3.29Å; N8-L10 PolarHBondContact OD1-N 2.93Å; N8-L10 VanDerWaalsContact OD1-N 3.09Å; L10-K12 PolarHBondContact O-N 2.97Å; L10-L13 WeakPolarHBondContact O-CB 3.35Å; L10-L13 PolarHBondContact O-N 2.93Å; L10-I14 PolarHBondContact O-N 3.14Å
11M93.5Very high93.4Very high96 Ų9689.3 Ų89.347%0.47345%0.453SS..Hα-helixtrans-64.7-29.8179.1-61.4-176.717100112M4 R5 N8 I14 N15M4-M11 HydrophobicContact CB-SD 4.5Å; R5-M11 CarbonylContact O-C 2.9Å; N8-M11 HydrophobicContact CB-CB 4.05Å; N8-M11 HydrophobicContact CB-CG 4.08Å; N8-M11 HydrophobicContact CB-SD 4.2Å; N8-M11 PolarHBondContact O-N 3.23Å; N8-M11 PolarHBondContact OD1-N 3.32Å; M11-I14 PolarHBondContact O-N 3.02Å; M11-N15 VanDerWaalsContact O-CB 3.24Å; M11-N15 WeakPolarHBondContact O-CB 3.45Å; M11-N15 PolarHBondContact O-N 3.2Å
12K93.8Very high94.2Very high98 Ų9881.1 Ų81.143%0.42642%0.418SS..Hα-helixtrans-62-43.7175.5-179.4175.4179.5-173.80111.2R5 N8 L10 N15 H16R5-K12 VanDerWaalsContact O-CA 3.31Å; R5-K12 WeakPolarHBondContact O-CA 3.11Å; R5-K12 PolarHBondContact O-N 3.2Å; N8-K12 WeakPolarHBondContact O-CB 3.4Å; N8-K12 PolarHBondContact O-N 2.92Å; L10-K12 PolarHBondContact O-N 2.97Å; K12-N15 PolarHBondContact O-N 3.11Å; K12-H16 WeakPolarHBondContact CE-NE2 3.45Å; K12-H16 VanDerWaalsContact CG-CD2 3.47Å; K12-H16 WeakPolarHBondContact CG-CD2 3.36Å; K12-H16 PolarHBondContact O-CD2 3Å; K12-H16 PolarHBondContact O-N 3.3Å
13L93.2Very high94.7Very high121 Ų12176.7 Ų76.763%0.63439%0.39SS*.Hα-helixtrans-60.1-47.1175.2-178.167.5000111.3P9 L10 N15 H16 S17P9-L13 PolarHBondContact O-N 2.72Å; L10-L13 WeakPolarHBondContact O-CB 3.35Å; L10-L13 PolarHBondContact O-N 2.93Å; L13-N15 VanDerWaalsContact C-N 3.34Å; L13-N15 PolarHBondContact O-N 3.13Å; L13-H16 PolarHBondContact O-N 3.43Å; L13-S17 VanDerWaalsContact O-CB 3.25Å; L13-S17 WeakPolarHBondContact O-CB 3.36Å; L13-S17 PolarHBondContact O-N 2.86Å; L13-S17 PolarHBondContact O-OG 3.06Å
14I93.8Very high94.9Very high94 Ų9473.8 Ų73.848%0.48237%0.372SS..Hα-helixtrans-61.6-44.5176.6-61.9171.9000110.3L10 M11 H16 S17 F18L10-I14 PolarHBondContact O-N 3.14Å; M11-I14 PolarHBondContact O-N 3.02Å; I14-H16 PolarHBondContact O-N 3.36Å; I14-S17 PolarHBondContact O-N 2.9Å; I14-F18 WeakPolarHBondContact O-CB 3.5Å; I14-F18 PolarHBondContact O-N 3.1Å
15N96Very high95.1Very high0 Ų069.3 Ų69.30%035%0.354CS..Iπ-helixtrans-62.2-46.7-178.4-17679.1000111.9R5 M11 K12 L13 S17 I19 D20R5-N15 HydrophobicContact CB-CB 4.41Å; R5-N15 WeakPolarHBondContact CD-OD1 3.17Å; R5-N15 HydrophobicContact CG-CB 4.45Å; R5-N15 WeakPolarHBondContact CG-OD1 3.37Å; R5-N15 PolarHBondContact NE-OD1 3.45Å; R5-N15 VanDerWaalsContact O-CB 3.24Å; R5-N15 WeakPolarHBondContact O-CB 3.39Å; M11-N15 VanDerWaalsContact O-CB 3.24Å; M11-N15 WeakPolarHBondContact O-CB 3.45Å; M11-N15 PolarHBondContact O-N 3.2Å; K12-N15 PolarHBondContact O-N 3.11Å; L13-N15 VanDerWaalsContact C-N 3.34Å; L13-N15 PolarHBondContact O-N 3.13Å; N15-S17 VanDerWaalsContact C-N 3.3Å; N15-S17 PolarHBondContact O-N 3.42Å; N15-I19 PolarHBondContact O-N 3.5Å; N15-D20 PolarHBondContact ND2-OD2 2.66Å; N15-D20 PolarHBondContact O-N 3.49Å; N15-D20 PolarHBondContact OD1-OD2 3.15Å
16H94.3Very high95.3Very high100 Ų10067.1 Ų67.146%0.46335%0.35SS..Iπ-helixtrans-70.6-25.6178.9-74.1-66.5000113.5K12 L13 I14 L21K12-H16 WeakPolarHBondContact CE-NE2 3.45Å; K12-H16 VanDerWaalsContact CG-CD2 3.47Å; K12-H16 WeakPolarHBondContact CG-CD2 3.36Å; K12-H16 PolarHBondContact O-CD2 3Å; K12-H16 PolarHBondContact O-N 3.3Å; L13-H16 PolarHBondContact O-N 3.43Å; I14-H16 PolarHBondContact O-N 3.36Å; H16-L21 WeakPolarHBondContact O-CB 3.41Å
17S92.7Very high95.5Very high19 Ų1963.4 Ų63.413%0.13333%0.334CS..Iπ-helixtrans-93.7-26.7-176.7-57.30000113.9L13 I14 N15 L21L13-S17 VanDerWaalsContact O-CB 3.25Å; L13-S17 WeakPolarHBondContact O-CB 3.36Å; L13-S17 PolarHBondContact O-N 2.86Å; L13-S17 PolarHBondContact O-OG 3.06Å; I14-S17 PolarHBondContact O-N 2.9Å; N15-S17 VanDerWaalsContact C-N 3.3Å; N15-S17 PolarHBondContact O-N 3.42Å; S17-L21 WeakPolarHBondContact O-CD2 3.35Å
18F92.4Very high95.7Very high117 Ų11760.5 Ų60.551%0.51332%0.323SS..Iπ-helixtrans-134.7-17.5-170.4-70.1-80.2000115.5I14 F220I14-F18 WeakPolarHBondContact O-CB 3.5Å; I14-F18 PolarHBondContact O-N 3.1Å; F18-F220 WeakPolarHBondContact O-CD1 3.25Å
19I96.6Very high95.8Very high45 Ų4560.9 Ų60.923%0.23133%0.334CS..Iπ-helixtrans-110-69.3-174.4-54.3177.9000110.3N15 L21 F220 H221N15-I19 PolarHBondContact O-N 3.5Å; I19-L21 VanDerWaalsContact C-N 3.28Å; I19-L21 PolarHBondContact O-N 2.98Å; I19-F220 PolarHBondContact O-N 3.07Å; I19-H221 HydrophobicContact CG2-CB 4.07Å; I19-H221 PolarHBondContact O-N 3.21Å
20D97.4Very high96.1Very high35 Ų3560.4 Ų60.419%0.18732%0.319CS..SBendtrans-9113.3-176.6-66.5-13.6000111.7R5 K6 N15 P22R5-D20 IonicContact CZ-OD1 3.63Å; R5-D20 IonicContact NE-OD2 3.87Å; R5-D20 IonicContact NH2-OD1 2.77Å; R5-D20 PolarHBondContact NH2-OD1 3.43Å; R5-D20 IonicContact NH2-OD2 3.48Å; R5-D20 PolarHBondContact NH2-OD2 2.98Å; K6-D20 WeakPolarHBondContact CE-OD2 3.47Å; K6-D20 IonicContact NZ-OD2 3.37Å; K6-D20 PolarHBondContact NZ-OD2 2.8Å; N15-D20 PolarHBondContact ND2-OD2 2.66Å; N15-D20 PolarHBondContact O-N 3.49Å; N15-D20 PolarHBondContact OD1-OD2 3.15Å; D20-P22 WeakPolarHBondContact O-CD 3.32Å
21L97.4Very high96.4Very high26 Ų2655.2 Ų55.214%0.13629%0.29CS..  trans-60.9117.5178.7176.167.5000110.3H16 S17 I19 T23 F220H16-L21 WeakPolarHBondContact O-CB 3.41Å; S17-L21 WeakPolarHBondContact O-CD2 3.35Å; I19-L21 VanDerWaalsContact C-N 3.28Å; I19-L21 PolarHBondContact O-N 2.98Å; L21-T23 PolarHBondContact O-N 3.15Å; L21-T23 PolarHBondContact O-OG1 3.45Å; L21-F220 HydrophobicContact CB-CB 3.93Å; L21-F220 HydrophobicContact CD2-CD2 4.25Å; L21-F220 PolarHBondContact O-N 3.34Å
22P97.5Very high96.6Very high70 Ų7051.1 Ų51.146%0.45527%0.27SS..EExtended strand (participates in β ladder)trans-72.2113.5178-17.633000111D20 K217D20-P22 WeakPolarHBondContact O-CD 3.32Å; P22-K217 HydrophobicContact CB-CB 4.13Å; P22-K217 HydrophobicContact CB-CD 3.64Å
23T98.1Very high96.9Very high3 Ų348 Ų482%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-119.1139.8-174.3-520000109.5L21 S25 I27 K217 I218 Y224L21-T23 PolarHBondContact O-N 3.15Å; L21-T23 PolarHBondContact O-OG1 3.45Å; T23-S25 PolarHBondContact O-N 3.04Å; T23-I27 HydrophobicContact CG2-CD1 3.54Å; T23-I27 HydrophobicContact CG2-CG1 4.32Å; T23-K217 WeakPolarHBondContact O-CA 3.37Å; T23-I218 PolarHBondContact N-O 3.32Å; T23-I218 PolarHBondContact O-N 3.22Å; T23-Y224 HydrophobicContact CG2-CD2 3.51Å; T23-Y224 HydrophobicContact CG2-CE2 3.31Å; T23-Y224 HydrophobicContact CG2-CG 4.34Å
24P98.3Very high97.1Very high0 Ų043.8 Ų43.80%024%0.243CC..EExtended strand (participates in β ladder)trans-53138.4175.9-1825.6000110.6N26 I27 S205 N207 S213 Y224P24-N26 PolarHBondContact O-N 2.68Å; P24-I27 HydrophobicContact CB-CG2 4.01Å; P24-I27 HydrophobicContact CG-CG2 4.06Å; P24-S205 VanDerWaalsContact CG-O 3.22Å; P24-S205 WeakPolarHBondContact CG-O 2.96Å; P24-N207 HydrophobicContact CB-CB 3.85Å; P24-N207 HydrophobicContact CG-CB 4.15Å; P24-S213 WeakPolarHBondContact CB-OG 3.31Å; P24-S213 WeakPolarHBondContact CG-OG 3.47Å; P24-Y224 PolarHBondContact O-OH 2.67Å
25S98.2Very high97.3Very high42 Ų4241.5 Ų41.529%0.29424%0.235SC..THydrogen-bonded Turntrans-66.2-20.4-177.1630000114.4T23 D216 Y224T23-S25 PolarHBondContact O-N 3.04Å; S25-D216 VanDerWaalsContact CB-OD2 3.3Å; S25-D216 WeakPolarHBondContact CB-OD2 3.38Å; S25-D216 PolarHBondContact N-O 3.47Å; S25-D216 PolarHBondContact OG-OD2 2.99Å; S25-Y224 VanDerWaalsContact C-OH 3.25Å; S25-Y224 PolarHBondContact O-OH 3.29Å; S25-Y224 VanDerWaalsContact O-OH 3.13Å
26N98.3Very high97.4Very high54 Ų5442.2 Ų42.229%0.28924%0.239SC..THydrogen-bonded Turntrans-110.515.5-167.169.8-29.5000114.6P24 S28 N207 P208 L209P24-N26 PolarHBondContact O-N 2.68Å; N26-S28 PolarHBondContact O-N 2.91Å; N26-N207 PolarHBondContact ND2-OD1 2.91Å; N26-N207 WeakPolarHBondContact OD1-CB 3.49Å; N26-P208 VanDerWaalsContact O-CD 3.27Å; N26-P208 WeakPolarHBondContact O-CD 3.32Å; N26-P208 WeakPolarHBondContact O-CG 3.43Å; N26-L209 WeakPolarHBondContact ND2-CD1 3.48Å
27I98.4Very high97.7Very high16 Ų1638.8 Ų38.88%0.08222%0.224CC..  trans-68.2129.4177.660.2170.3000111.1T23 P24 W31 N206 N207 Y224 K227T23-I27 HydrophobicContact CG2-CD1 3.54Å; T23-I27 HydrophobicContact CG2-CG1 4.32Å; P24-I27 HydrophobicContact CB-CG2 4.01Å; P24-I27 HydrophobicContact CG-CG2 4.06Å; I27-W31 HydrophobicContact CB-CB 4.07Å; I27-W31 HydrophobicContact CB-CD2 3.76Å; I27-W31 HydrophobicContact CB-CE3 4.23Å; I27-W31 HydrophobicContact CB-CG 3.66Å; I27-W31 HydrophobicContact CD1-CB 3.83Å; I27-W31 HydrophobicContact CD1-CG 3.93Å; I27-W31 HydrophobicContact CG1-CB 4.3Å; I27-W31 HydrophobicContact CG1-CG 4.29Å; I27-W31 HydrophobicContact CG2-CD2 3.94Å; I27-W31 HydrophobicContact CG2-CG 3.97Å; I27-W31 HydrophobicContact CG2-CZ2 4.43Å; I27-N206 WeakPolarHBondContact CG2-O 3.38Å; I27-N207 HydrophobicContact CG2-CB 4.13Å; I27-Y224 HydrophobicContact CD1-CD1 3.83Å; I27-Y224 HydrophobicContact CD1-CD2 4.49Å; I27-Y224 HydrophobicContact CD1-CE1 3.54Å; I27-Y224 HydrophobicContact CD1-CE2 4.19Å; I27-Y224 HydrophobicContact CD1-CG 4.33Å; I27-Y224 HydrophobicContact CG1-CD1 4.02Å; I27-Y224 HydrophobicContact CG1-CE1 3.22Å; I27-Y224 HydrophobicContact CG1-CE2 4.2Å; I27-Y224 VanDerWaalsContact CG1-OH 3.28Å; I27-Y224 WeakPolarHBondContact CG1-OH 3.31Å; I27-K227 PolarHBondContact O-NZ 3.36Å
28S98.4Very high98Very high37 Ų3739.5 Ų39.526%0.25923%0.233SC..  trans-83-177.5-175.565.30000112.5N26 W30 W31 K227N26-S28 PolarHBondContact O-N 2.91Å; S28-W30 PolarHBondContact O-N 3Å; S28-W30 VanDerWaalsContact O-N 3.14Å; S28-W31 PolarHBondContact O-N 3.46Å; S28-W31 VanDerWaalsContact O-N 3.13Å; S28-K227 VanDerWaalsContact C-NZ 3.26Å; S28-K227 PolarHBondContact O-NZ 2.9Å
29A98.4Very high98.3Very high69 Ų6935 Ų3557%0.5722%0.218SC*.G310 helixtrans-57.7-24.4177.600000113.4W31 N32A29-W31 PolarHBondContact O-N 3.5Å; A29-W31 VanDerWaalsContact O-N 3.12Å; A29-N32 WeakPolarHBondContact CA-OD1 3.43Å; A29-N32 VanDerWaalsContact O-CB 3.27Å; A29-N32 WeakPolarHBondContact O-CB 3.18Å; A29-N32 PolarHBondContact O-N 2.95Å; A29-N32 PolarHBondContact O-OD1 3.48Å
30W98.7Very high98.4Very high96 Ų9632.9 Ų32.936%0.36421%0.207SC..G310 helixtrans-61.3-20.9177-60.1116.1000113.6S28 N32 F33 L96 R100 Y104S28-W30 PolarHBondContact O-N 3Å; S28-W30 VanDerWaalsContact O-N 3.14Å; W30-N32 VanDerWaalsContact C-N 3.34Å; W30-F33 HydrophobicContact CE3-CD2 4.15Å; W30-F33 AromaticContact CE3-CE2 3.58Å; W30-F33 HydrophobicContact CE3-CE2 3.58Å; W30-F33 AromaticContact CZ3-CE2 3.91Å; W30-F33 HydrophobicContact CZ3-CE2 3.91Å; W30-F33 WeakPolarHBondContact O-CD2 3.42Å; W30-L96 HydrophobicContact CZ3-CD2 4.12Å; W30-R100 HydrophobicContact CB-CB 4.08Å; W30-R100 HydrophobicContact CB-CG 3.53Å; W30-Y104 HydrophobicContact CB-CE2 4.26Å; W30-Y104 AromaticContact CD1-CE2 3.82Å; W30-Y104 HydrophobicContact CG-CE2 4.19Å
31W98.7Very high98.4Very high21 Ų2132 Ų328%0.0820%0.203CC..G310 helixtrans-77.7-17.9175.7-85.7-114000113.8I27 S28 A29 F33 G34 R100 Y104 N206 P208I27-W31 HydrophobicContact CB-CB 4.07Å; I27-W31 HydrophobicContact CB-CD2 3.76Å; I27-W31 HydrophobicContact CB-CE3 4.23Å; I27-W31 HydrophobicContact CB-CG 3.66Å; I27-W31 HydrophobicContact CD1-CB 3.83Å; I27-W31 HydrophobicContact CD1-CG 3.93Å; I27-W31 HydrophobicContact CG1-CB 4.3Å; I27-W31 HydrophobicContact CG1-CG 4.29Å; I27-W31 HydrophobicContact CG2-CD2 3.94Å; I27-W31 HydrophobicContact CG2-CG 3.97Å; I27-W31 HydrophobicContact CG2-CZ2 4.43Å; S28-W31 PolarHBondContact O-N 3.46Å; S28-W31 VanDerWaalsContact O-N 3.13Å; A29-W31 PolarHBondContact O-N 3.5Å; A29-W31 VanDerWaalsContact O-N 3.12Å; W31-F33 PolarHBondContact O-N 2.76Å; W31-G34 PolarHBondContact O-N 3.44Å; W31-R100 VanDerWaalsContact CE2-NH1 3.34Å; W31-R100 HydrophobicContact CE3-CG 4.32Å; W31-R100 HydrophobicContact CZ3-CG 4.24Å; W31-Y104 HydrophobicContact CH2-CD1 4.11Å; W31-Y104 AromaticContact CH2-CD2 3.54Å; W31-Y104 HydrophobicContact CH2-CD2 3.54Å; W31-Y104 HydrophobicContact CH2-CE1 4.5Å; W31-Y104 AromaticContact CH2-CE2 3.96Å; W31-Y104 HydrophobicContact CH2-CE2 3.96Å; W31-Y104 AromaticContact CH2-CG 3.6Å; W31-Y104 HydrophobicContact CH2-CG 3.6Å; W31-Y104 AromaticContact CZ3-CD2 3.65Å; W31-Y104 HydrophobicContact CZ3-CD2 3.65Å; W31-Y104 AromaticContact CZ3-CE2 3.6Å; W31-Y104 HydrophobicContact CZ3-CE2 3.6Å; W31-Y104 HydrophobicContact CZ3-CG 4.13Å; W31-N206 VanDerWaalsContact CE2-O 3.29Å; W31-N206 HydrophobicContact CZ2-CB 4.36Å; W31-N206 VanDerWaalsContact CZ2-O 3.3Å; W31-N206 WeakPolarHBondContact CZ2-O 3.33Å; W31-N206 PolarHBondContact NE1-O 3.3Å; W31-P208 HydrophobicContact CH2-CG 4Å; W31-P208 HydrophobicContact CZ3-CG 3.8Å
32N98.7Very high98.5Very high10 Ų1036.2 Ų36.25%0.05322%0.224CC..G310 helixtrans-66.3-23.3178.2-67.465.7000112.7A29 W30 G34 S35 L36 K227 D228A29-N32 WeakPolarHBondContact CA-OD1 3.43Å; A29-N32 VanDerWaalsContact O-CB 3.27Å; A29-N32 WeakPolarHBondContact O-CB 3.18Å; A29-N32 PolarHBondContact O-N 2.95Å; A29-N32 PolarHBondContact O-OD1 3.48Å; W30-N32 VanDerWaalsContact C-N 3.34Å; N32-G34 PolarHBondContact O-N 3.43Å; N32-G34 VanDerWaalsContact O-N 3.08Å; N32-S35 PolarHBondContact O-N 2.89Å; N32-S35 VanDerWaalsContact O-N 3.11Å; N32-S35 PolarHBondContact O-OG 2.9Å; N32-L36 WeakPolarHBondContact O-CG 3.5Å; N32-L36 PolarHBondContact O-N 2.69Å; N32-K227 PolarHBondContact ND2-O 3.48Å; N32-K227 VanDerWaalsContact ND2-O 3.09Å; N32-K227 WeakPolarHBondContact OD1-CE 3.38Å; N32-K227 PolarHBondContact OD1-NZ 2.95Å; N32-D228 PolarHBondContact ND2-OD1 3.01Å
33F98.8Very high98.6Very high33 Ų3334.4 Ų34.415%0.14521%0.21CC..Hα-helixtrans-62.6-19.8-179.1-70-68.5000113.4W30 W31 L36 L37 C93 L96 H97W30-F33 HydrophobicContact CE3-CD2 4.15Å; W30-F33 AromaticContact CE3-CE2 3.58Å; W30-F33 HydrophobicContact CE3-CE2 3.58Å; W30-F33 AromaticContact CZ3-CE2 3.91Å; W30-F33 HydrophobicContact CZ3-CE2 3.91Å; W30-F33 WeakPolarHBondContact O-CD2 3.42Å; W31-F33 PolarHBondContact O-N 2.76Å; F33-L36 HydrophobicContact CD1-CD1 3.98Å; F33-L36 HydrophobicContact CE1-CD1 4.11Å; F33-L37 WeakPolarHBondContact O-CB 3.27Å; F33-L37 WeakPolarHBondContact O-CD1 3.37Å; F33-L37 WeakPolarHBondContact O-CG 3.44Å; F33-L37 PolarHBondContact O-N 2.76Å; F33-L37 VanDerWaalsContact O-N 3.08Å; F33-C93 HydrophobicContact CD1-CB 4.03Å; F33-L96 HydrophobicContact CD1-CB 4.08Å; F33-L96 HydrophobicContact CD1-CD1 4.39Å; F33-L96 HydrophobicContact CD2-CB 3.93Å; F33-L96 HydrophobicContact CE1-CB 3.94Å; F33-L96 HydrophobicContact CE1-CD1 3.49Å; F33-L96 VanDerWaalsContact CE1-CD1 3.49Å; F33-L96 HydrophobicContact CE1-CG 4.35Å; F33-L96 HydrophobicContact CE2-CB 3.8Å; F33-L96 HydrophobicContact CE2-CD1 4.08Å; F33-L96 HydrophobicContact CG-CB 4.09Å; F33-L96 HydrophobicContact CZ-CB 3.81Å; F33-L96 HydrophobicContact CZ-CD1 3.31Å; F33-L96 HydrophobicContact CZ-CG 4.17Å; F33-H97 HydrophobicContact CB-CB 3.93Å
34G98.2Very high98.6Very high33 Ų3335.3 Ų35.334%0.3421%0.214SC..Hα-helixtrans-65.2-50.5170.900000112.6W31 N32 L37 G38 H97W31-G34 PolarHBondContact O-N 3.44Å; N32-G34 PolarHBondContact O-N 3.43Å; N32-G34 VanDerWaalsContact O-N 3.08Å; G34-L37 PolarHBondContact O-N 3.4Å; G34-G38 PolarHBondContact O-N 2.72Å; G34-H97 PolarHBondContact N-ND1 3.18Å
35S98.3Very high98.6Very high46 Ų4637.2 Ų37.232%0.32222%0.224SC..Hα-helixtrans-70.4-34.6177.846.80000112.4N32 L37 G38 A39 D228N32-S35 PolarHBondContact O-N 2.89Å; N32-S35 VanDerWaalsContact O-N 3.11Å; N32-S35 PolarHBondContact O-OG 2.9Å; S35-L37 PolarHBondContact O-N 3.15Å; S35-G38 PolarHBondContact O-N 3.45Å; S35-A39 PolarHBondContact O-N 2.6Å; S35-D228 WeakPolarHBondContact CB-OD2 3.39Å; S35-D228 PolarHBondContact OG-OD2 3.39Å
36L98.8Very high98.7Very high15 Ų1538.3 Ų38.38%0.07923%0.229CC..Hα-helixtrans-63.6-37.6173.4-65.6-178.2000112.9N32 F33 G38 A39 C40 F235N32-L36 WeakPolarHBondContact O-CG 3.5Å; N32-L36 PolarHBondContact O-N 2.69Å; F33-L36 HydrophobicContact CD1-CD1 3.98Å; F33-L36 HydrophobicContact CE1-CD1 4.11Å; L36-G38 VanDerWaalsContact C-N 3.33Å; L36-A39 WeakPolarHBondContact O-CB 3.42Å; L36-A39 PolarHBondContact O-N 3.41Å; L36-C40 PolarHBondContact O-N 2.85Å; L36-C40 PolarHBondContact O-SG 3.19Å; L36-F235 HydrophobicContact CD2-CB 3.67Å; L36-F235 HydrophobicContact CD2-CD2 4.42Å; L36-F235 HydrophobicContact CD2-CG 4.08Å
37L98.9Very high98.7Very high28 Ų2836.2 Ų36.215%0.14722%0.218CC..Hα-helixtrans-64.2-38.7173.1-75.2167.8000111.9F33 G34 S35 C40 L41 F90 C93 L94 H97F33-L37 WeakPolarHBondContact O-CB 3.27Å; F33-L37 WeakPolarHBondContact O-CD1 3.37Å; F33-L37 WeakPolarHBondContact O-CG 3.44Å; F33-L37 PolarHBondContact O-N 2.76Å; F33-L37 VanDerWaalsContact O-N 3.08Å; G34-L37 PolarHBondContact O-N 3.4Å; S35-L37 PolarHBondContact O-N 3.15Å; L37-C40 PolarHBondContact O-N 3.48Å; L37-L41 PolarHBondContact O-N 3.22Å; L37-F90 HydrophobicContact CD2-CD1 3.49Å; L37-F90 VanDerWaalsContact CD2-CD1 3.49Å; L37-F90 HydrophobicContact CD2-CE1 3.46Å; L37-F90 VanDerWaalsContact CD2-CE1 3.46Å; L37-C93 HydrophobicContact CD2-CB 3.75Å; L37-C93 HydrophobicContact CG-CB 4.03Å; L37-L94 HydrophobicContact CD2-CB 3.88Å; L37-L94 HydrophobicContact CD2-CG 4.39Å; L37-H97 HydrophobicContact CD1-CB 3.77Å
38G98.7Very high98.7Very high33 Ų3336.3 Ų36.334%0.3422%0.223SC..Hα-helixtrans-60.2-43.917100000112.4G34 S35 L36 L41 I42G34-G38 PolarHBondContact O-N 2.72Å; S35-G38 PolarHBondContact O-N 3.45Å; L36-G38 VanDerWaalsContact C-N 3.33Å; G38-L41 PolarHBondContact O-N 3.41Å; G38-I42 WeakPolarHBondContact O-CG1 3.39Å; G38-I42 PolarHBondContact O-N 2.98Å; G38-I42 VanDerWaalsContact O-N 3.07Å
39A98.8Very high98.7Very high23 Ų2338.2 Ų38.219%0.1923%0.23CC..Hα-helixtrans-63.9-41.3175.200000112.4S35 L36 L41 I42 L43 L232S35-A39 PolarHBondContact O-N 2.6Å; L36-A39 WeakPolarHBondContact O-CB 3.42Å; L36-A39 PolarHBondContact O-N 3.41Å; A39-L41 PolarHBondContact O-N 3.04Å; A39-I42 PolarHBondContact O-N 3.25Å; A39-L43 WeakPolarHBondContact O-CB 3.39Å; A39-L43 PolarHBondContact O-N 3.29Å; A39-L232 HydrophobicContact CB-CD1 3.72Å
40C98.9Very high98.7Very high0 Ų040.2 Ų40.20%023%0.226CC..Hα-helixtrans-59.5-45.9173.9-66.40000111L36 L37 I42 L43 Q44 F90 F235L36-C40 PolarHBondContact O-N 2.85Å; L36-C40 PolarHBondContact O-SG 3.19Å; L37-C40 PolarHBondContact O-N 3.48Å; C40-I42 PolarHBondContact O-N 3.02Å; C40-L43 WeakPolarHBondContact O-CB 3.32Å; C40-L43 PolarHBondContact O-N 3.48Å; C40-Q44 WeakPolarHBondContact O-CG 3.13Å; C40-Q44 PolarHBondContact O-N 3.49Å; C40-F90 HydrophobicContact CB-CB 4.05Å; C40-F90 HydrophobicContact CB-CD1 4.31Å; C40-F90 HydrophobicContact CB-CD2 3.56Å; C40-F90 HydrophobicContact CB-CE2 4.04Å; C40-F90 HydrophobicContact CB-CG 3.7Å; C40-F235 WeakPolarHBondContact SG-CE2 3.47Å; C40-F235 WeakPolarHBondContact SG-CZ 3.48Å
41L98.9Very high98.8Very high18 Ų1836.8 Ų36.89%0.09421%0.214CC..Hα-helixtrans-61.4-45179.4-177.160.8000112L37 G38 A39 Q44 I45 F90 P186 I189L37-L41 PolarHBondContact O-N 3.22Å; G38-L41 PolarHBondContact O-N 3.41Å; A39-L41 PolarHBondContact O-N 3.04Å; L41-Q44 PolarHBondContact O-N 2.97Å; L41-I45 HydrophobicContact CD1-CD1 3.93Å; L41-I45 HydrophobicContact CD1-CG1 4.29Å; L41-I45 HydrophobicContact CG-CD1 3.93Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.35Å; L41-F90 HydrophobicContact CB-CE2 4.09Å; L41-F90 HydrophobicContact CB-CZ 4.27Å; L41-F90 HydrophobicContact CD1-CE2 4.26Å; L41-P186 HydrophobicContact CD1-CB 4.5Å; L41-I189 HydrophobicContact CD1-CB 4.4Å; L41-I189 HydrophobicContact CD1-CG2 3.87Å; L41-I189 HydrophobicContact CD2-CG2 3.96Å
42I98.8Very high98.8Very high113 Ų11336.9 Ų36.958%0.57922%0.22SC*.Hα-helixtrans-62.1-44.9175.7-66.7167.3000110.6G38 A39 C40 Q44 I45 T46G38-I42 WeakPolarHBondContact O-CG1 3.39Å; G38-I42 PolarHBondContact O-N 2.98Å; G38-I42 VanDerWaalsContact O-N 3.07Å; A39-I42 PolarHBondContact O-N 3.25Å; C40-I42 PolarHBondContact O-N 3.02Å; I42-Q44 PolarHBondContact O-N 3.33Å; I42-I45 PolarHBondContact O-N 3Å; I42-T46 HydrophobicContact CG2-CG2 4.25Å; I42-T46 WeakPolarHBondContact O-CB 3.37Å; I42-T46 VanDerWaalsContact O-CG2 3.27Å; I42-T46 WeakPolarHBondContact O-CG2 3.49Å; I42-T46 PolarHBondContact O-N 3.39Å; I42-T46 PolarHBondContact O-OG1 3.3Å
43L98.9Very high98.8Very high33 Ų3342.2 Ų42.217%0.17325%0.246CC..Hα-helixtrans-57.6-48.4176177.273000111.4A39 C40 T46 T47 L239A39-L43 WeakPolarHBondContact O-CB 3.39Å; A39-L43 PolarHBondContact O-N 3.29Å; C40-L43 WeakPolarHBondContact O-CB 3.32Å; C40-L43 PolarHBondContact O-N 3.48Å; L43-T46 WeakPolarHBondContact CA-OG1 3.42Å; L43-T46 PolarHBondContact O-N 3.27Å; L43-T46 PolarHBondContact O-OG1 2.88Å; L43-T47 HydrophobicContact CD1-CG2 3.98Å; L43-T47 HydrophobicContact CG-CG2 4.48Å; L43-T47 WeakPolarHBondContact O-CB 3.32Å; L43-T47 WeakPolarHBondContact O-CG2 3.4Å; L43-T47 PolarHBondContact O-N 3.46Å; L43-T47 PolarHBondContact O-OG1 3.1Å; L43-L239 HydrophobicContact CD2-CD2 3.41Å; L43-L239 VanDerWaalsContact CD2-CD2 3.41Å
44Q98.9Very high98.8Very high22 Ų2244.5 Ų44.510%0.10326%0.257CS..Hα-helixtrans-65.7-42.7-178.8-67.5-48.4105.200112.1C40 L41 I42 T47 G48 H83 G86 F90C40-Q44 WeakPolarHBondContact O-CG 3.13Å; C40-Q44 PolarHBondContact O-N 3.49Å; L41-Q44 PolarHBondContact O-N 2.97Å; I42-Q44 PolarHBondContact O-N 3.33Å; Q44-T47 PolarHBondContact O-OG1 3.48Å; Q44-G48 WeakPolarHBondContact O-CA 3.44Å; Q44-G48 PolarHBondContact O-N 3.14Å; Q44-H83 PolarHBondContact NE2-O 3.43Å; Q44-H83 PolarHBondContact O-CE1 3.03Å; Q44-H83 VanDerWaalsContact O-CE1 3.25Å; Q44-H83 PolarHBondContact O-ND1 3.49Å; Q44-H83 PolarHBondContact OE1-O 3.35Å; Q44-G86 VanDerWaalsContact OE1-CA 3.3Å; Q44-F90 HydrophobicContact CG-CD2 3.98Å
45I98.9Very high98.8Very high39 Ų3944.1 Ų44.120%0.225%0.245CC..Hα-helixtrans-64.1-46.6178.1-69.5169.6000110.5L41 I42 L49 P186 F187L41-I45 HydrophobicContact CD1-CD1 3.93Å; L41-I45 HydrophobicContact CD1-CG1 4.29Å; L41-I45 HydrophobicContact CG-CD1 3.93Å; L41-I45 VanDerWaalsContact O-CG1 3.31Å; L41-I45 WeakPolarHBondContact O-CG1 3.35Å; L41-I45 PolarHBondContact O-N 3.35Å; I42-I45 PolarHBondContact O-N 3Å; I45-L49 VanDerWaalsContact O-CB 3.27Å; I45-L49 WeakPolarHBondContact O-CB 3.39Å; I45-L49 PolarHBondContact O-N 2.82Å; I45-P186 HydrophobicContact CD1-CB 4.17Å; I45-P186 HydrophobicContact CG1-CB 3.69Å; I45-F187 HydrophobicContact CG2-CE1 4.12Å; I45-F187 HydrophobicContact CG2-CZ 4.3Å
46T98.9Very high98.8Very high65 Ų6544.3 Ų44.340%0.39925%0.247SC..Hα-helixtrans-65.1-55.8-178.3510000111.4I42 L43 G48 L49 F50I42-T46 HydrophobicContact CG2-CG2 4.25Å; I42-T46 WeakPolarHBondContact O-CB 3.37Å; I42-T46 VanDerWaalsContact O-CG2 3.27Å; I42-T46 WeakPolarHBondContact O-CG2 3.49Å; I42-T46 PolarHBondContact O-N 3.39Å; I42-T46 PolarHBondContact O-OG1 3.3Å; L43-T46 WeakPolarHBondContact CA-OG1 3.42Å; L43-T46 PolarHBondContact O-N 3.27Å; L43-T46 PolarHBondContact O-OG1 2.88Å; T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 2.88Å; T46-L49 PolarHBondContact O-N 3.42Å; T46-F50 VanDerWaalsContact O-CD2 3.31Å; T46-F50 WeakPolarHBondContact O-CD2 3.47Å; T46-F50 PolarHBondContact O-N 3.29Å
47T98.9Very high98.7Very high11 Ų1145.1 Ų45.17%0.06725%0.253CS..Hα-helixtrans-60.9-41.5178.154.40000112L43 Q44 L49 F50 L51 I79 L82 H83L43-T47 HydrophobicContact CD1-CG2 3.98Å; L43-T47 HydrophobicContact CG-CG2 4.48Å; L43-T47 WeakPolarHBondContact O-CB 3.32Å; L43-T47 WeakPolarHBondContact O-CG2 3.4Å; L43-T47 PolarHBondContact O-N 3.46Å; L43-T47 PolarHBondContact O-OG1 3.1Å; Q44-T47 PolarHBondContact O-OG1 3.48Å; T47-L49 PolarHBondContact O-N 3.46Å; T47-F50 PolarHBondContact O-N 3.08Å; T47-L51 VanDerWaalsContact O-CG 3.29Å; T47-L51 WeakPolarHBondContact O-CG 3.23Å; T47-L51 PolarHBondContact O-N 2.86Å; T47-I79 HydrophobicContact CG2-CG2 4.29Å; T47-L82 HydrophobicContact CG2-CB 4.07Å; T47-H83 PolarHBondContact OG1-ND1 3.29Å
48G98.8Very high98.6Very high17 Ų1746.5 Ų46.518%0.17526%0.26CS..Hα-helixtrans-62.8-39.6178.500000112.9Q44 T46 L51 A52 H83Q44-G48 WeakPolarHBondContact O-CA 3.44Å; Q44-G48 PolarHBondContact O-N 3.14Å; T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 2.88Å; G48-L51 PolarHBondContact O-N 2.91Å; G48-A52 VanDerWaalsContact O-CB 3.32Å; G48-A52 WeakPolarHBondContact O-CB 3.35Å; G48-A52 PolarHBondContact O-N 2.71Å; G48-H83 VanDerWaalsContact CA-CE1 3.46Å; G48-H83 WeakPolarHBondContact CA-CE1 3.32Å; G48-H83 PolarHBondContact N-ND1 3.3Å
49L98.8Very high98.5Very high77 Ų7745.8 Ų45.840%0.40325%0.252SS..Hα-helixtrans-62.4-44.7175.3-178.964.9000111.7I45 T46 T47 A52 M53 F183I45-L49 VanDerWaalsContact O-CB 3.27Å; I45-L49 WeakPolarHBondContact O-CB 3.39Å; I45-L49 PolarHBondContact O-N 2.82Å; T46-L49 PolarHBondContact O-N 3.42Å; T47-L49 PolarHBondContact O-N 3.46Å; L49-A52 PolarHBondContact O-N 3.27Å; L49-M53 HydrophobicContact CD1-CE 4.5Å; L49-M53 HydrophobicContact CD2-CE 4.49Å; L49-M53 HydrophobicContact CG-CE 4.04Å; L49-M53 WeakPolarHBondContact O-CG 3.25Å; L49-M53 PolarHBondContact O-N 3.42Å; L49-F183 HydrophobicContact CD1-CE2 4.28Å; L49-F183 HydrophobicContact CD1-CZ 4.1Å
50F98.8Very high98.4Very high111 Ų11149.4 Ų49.449%0.48728%0.275SS..Hα-helixtrans-65.6-38.2176.2-82.6-82.8000112.3T46 T47 M53 H54 I79T46-F50 VanDerWaalsContact O-CD2 3.31Å; T46-F50 WeakPolarHBondContact O-CD2 3.47Å; T46-F50 PolarHBondContact O-N 3.29Å; T47-F50 PolarHBondContact O-N 3.08Å; F50-M53 HydrophobicContact CD1-SD 4.27Å; F50-M53 PolarHBondContact O-N 2.89Å; F50-H54 PolarHBondContact O-CD2 3.45Å; F50-I79 HydrophobicContact CB-CD1 4.35Å; F50-I79 HydrophobicContact CB-CG2 4.21Å
51L98.9Very high98.4Very high24 Ų2451.6 Ų51.613%0.12629%0.289CS..Hα-helixtrans-64.6-42174.4-67.6170.3000111.7T47 G48 M53 H54 Y55 I69 I79 R80 H83T47-L51 VanDerWaalsContact O-CG 3.29Å; T47-L51 WeakPolarHBondContact O-CG 3.23Å; T47-L51 PolarHBondContact O-N 2.86Å; G48-L51 PolarHBondContact O-N 2.91Å; L51-M53 PolarHBondContact O-N 3.4Å; L51-H54 PolarHBondContact O-N 3.26Å; L51-Y55 WeakPolarHBondContact O-CB 3.49Å; L51-Y55 PolarHBondContact O-N 3.29Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; L51-I69 HydrophobicContact CD2-CD1 4.26Å; L51-I69 HydrophobicContact CD2-CG2 3.55Å; L51-I79 HydrophobicContact CD2-CG2 3.97Å; L51-I79 HydrophobicContact CG-CG2 3.87Å; L51-R80 HydrophobicContact CD2-CB 4.1Å; L51-H83 HydrophobicContact CD1-CB 3.5Å
52A98.7Very high98.4Very high24 Ų2450.8 Ų50.820%0.19828%0.284CS..Hα-helixtrans-62-27.2-179.600000113.2G48 L49 H54 F179 F183G48-A52 VanDerWaalsContact O-CB 3.32Å; G48-A52 WeakPolarHBondContact O-CB 3.35Å; G48-A52 PolarHBondContact O-N 2.71Å; L49-A52 PolarHBondContact O-N 3.27Å; A52-H54 PolarHBondContact O-N 2.89Å; A52-F179 HydrophobicContact CB-CE2 4.23Å; A52-F179 HydrophobicContact CB-CZ 4.13Å; A52-F183 HydrophobicContact CB-CD2 4.29Å; A52-F183 HydrophobicContact CB-CE2 4Å
53M98.7Very high98.4Very high121 Ų12148 Ų4860%0.59627%0.269SS*.THydrogen-bonded Turntrans-64.6-17.9174.8-66.9171.3-174.700113.5L49 F50 L51L49-M53 HydrophobicContact CD1-CE 4.5Å; L49-M53 HydrophobicContact CD2-CE 4.49Å; L49-M53 HydrophobicContact CG-CE 4.04Å; L49-M53 WeakPolarHBondContact O-CG 3.25Å; L49-M53 PolarHBondContact O-N 3.42Å; F50-M53 HydrophobicContact CD1-SD 4.27Å; F50-M53 PolarHBondContact O-N 2.89Å; L51-M53 PolarHBondContact O-N 3.4Å
54H98.6Very high98.4Very high82 Ų8249.5 Ų49.538%0.3828%0.282SS..THydrogen-bonded Turntrans-123.1-3.7-175-61.3-67.8000113.7F50 L51 A52 I69 V73F50-H54 PolarHBondContact O-CD2 3.45Å; L51-H54 PolarHBondContact O-N 3.26Å; A52-H54 PolarHBondContact O-N 2.89Å; H54-I69 HydrophobicContact CB-CD1 3.89Å; H54-I69 HydrophobicContact CB-CG1 3.51Å; H54-V73 HydrophobicContact CB-CG2 4.35Å
55Y98.7Very high98.3Very high24 Ų2449 Ų499%0.09428%0.28CS..  trans-92.1144.5-177175.6-108.8000112L51 P57 A62 S65 I66 L133 F179L51-Y55 WeakPolarHBondContact O-CB 3.49Å; L51-Y55 PolarHBondContact O-N 3.29Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; Y55-P57 HydrophobicContact CD1-CB 4.42Å; Y55-P57 HydrophobicContact CE1-CB 3.7Å; Y55-A62 HydrophobicContact CE2-CB 3.99Å; Y55-S65 WeakPolarHBondContact CD2-OG 3.29Å; Y55-I66 HydrophobicContact CD2-CD1 3.74Å; Y55-I66 HydrophobicContact CD2-CG1 4.25Å; Y55-I66 HydrophobicContact CE2-CD1 4.15Å; Y55-I66 HydrophobicContact CE2-CG1 4.31Å; Y55-L133 HydrophobicContact CE1-CB 4.44Å; Y55-L133 HydrophobicContact CE2-CB 4.43Å; Y55-L133 WeakPolarHBondContact CE2-O 3.27Å; Y55-L133 PolarHBondContact OH-O 3.41Å; Y55-F179 AromaticContact CD1-CD2 3.65Å; Y55-F179 HydrophobicContact CD1-CD2 3.65Å; Y55-F179 AromaticContact CD1-CE2 3.66Å; Y55-F179 HydrophobicContact CD1-CE2 3.66Å; Y55-F179 HydrophobicContact CD1-CG 4.34Å; Y55-F179 HydrophobicContact CD1-CZ 4.35Å; Y55-F179 HydrophobicContact CE1-CB 4.32Å; Y55-F179 AromaticContact CE1-CD2 3.59Å; Y55-F179 HydrophobicContact CE1-CD2 3.59Å; Y55-F179 HydrophobicContact CE1-CE2 4.11Å; Y55-F179 HydrophobicContact CE1-CG 4.02Å
56S98.3Very high98.3Very high50 Ų5048.4 Ų48.435%0.3528%0.277SS..  trans-120.4113.3177.1-172.40000110.5D58 T61 A62 S65S56-D58 PolarHBondContact O-N 3.15Å; S56-T61 WeakPolarHBondContact CB-OG1 3.33Å; S56-T61 PolarHBondContact OG-OG1 2.82Å; S56-A62 VanDerWaalsContact O-CA 3.27Å; S56-A62 WeakPolarHBondContact O-CA 3.46Å; S56-S65 PolarHBondContact N-OG 2.91Å
57P96.9Very high98.3Very high33 Ų3347 Ų4721%0.21427%0.272CS..  trans-8553.6-173.636.2-38.3000113.1Y55 T176 F179Y55-P57 HydrophobicContact CD1-CB 4.42Å; Y55-P57 HydrophobicContact CE1-CB 3.7Å; P57-T176 PolarHBondContact O-OG1 3.48Å; P57-F179 HydrophobicContact CB-CB 3.8Å; P57-F179 HydrophobicContact CB-CD1 3.97Å; P57-F179 HydrophobicContact CB-CG 3.92Å; P57-F179 HydrophobicContact CG-CD1 3.93Å; P57-F179 HydrophobicContact CG-CE1 4.43Å; P57-F179 HydrophobicContact CG-CG 4.38Å
58D97.3Very high98.3Very high56 Ų5650.1 Ų50.130%0.29929%0.286SS..SBendtrans-126.1140.7173.1178.8-96.6000110.7S56 S60 T61 A62 S172S56-D58 PolarHBondContact O-N 3.15Å; D58-S60 PolarHBondContact O-N 3.04Å; D58-S60 VanDerWaalsContact O-N 3.11Å; D58-S60 VanDerWaalsContact OD1-CB 3.27Å; D58-S60 WeakPolarHBondContact OD1-CB 3.27Å; D58-S60 PolarHBondContact OD1-N 3.45Å; D58-S60 PolarHBondContact OD1-OG 2.9Å; D58-T61 PolarHBondContact O-N 3.39Å; D58-A62 WeakPolarHBondContact O-CB 3.36Å; D58-A62 PolarHBondContact O-N 2.94Å; D58-S172 PolarHBondContact OD2-OG 3.11Å
59A96.1Very high98.3Very high19 Ų1949.4 Ų49.416%0.15728%0.278CS..THydrogen-bonded Turntrans-59.1-26.8-174.900000113.5W135 S172A59-W135 HydrophobicContact CB-CZ2 3.73Å; A59-S172 VanDerWaalsContact CB-OG 3.22Å; A59-S172 WeakPolarHBondContact CB-OG 3.31Å; A59-S172 PolarHBondContact N-OG 3.47Å
60S97.6Very high98.3Very high98 Ų9847.3 Ų47.369%0.68527%0.268SS*.THydrogen-bonded Turntrans-79.4-23.817872.70000113.7D58D58-S60 PolarHBondContact O-N 3.04Å; D58-S60 VanDerWaalsContact O-N 3.11Å; D58-S60 VanDerWaalsContact OD1-CB 3.27Å; D58-S60 WeakPolarHBondContact OD1-CB 3.27Å; D58-S60 PolarHBondContact OD1-N 3.45Å; D58-S60 PolarHBondContact OD1-OG 2.9Å
61T98.3Very high98.3Very high47 Ų4752 Ų5229%0.28828%0.283SS..THydrogen-bonded Turntrans-121.3-13.1-173570000114.6S56 D58 F63 S64 S65S56-T61 WeakPolarHBondContact CB-OG1 3.33Å; S56-T61 PolarHBondContact OG-OG1 2.82Å; D58-T61 PolarHBondContact O-N 3.39Å; T61-F63 PolarHBondContact O-N 2.94Å; T61-S64 PolarHBondContact O-N 3.38Å; T61-S64 PolarHBondContact O-OG 3.4Å; T61-S65 VanDerWaalsContact O-CB 3.28Å; T61-S65 WeakPolarHBondContact O-CB 3.42Å; T61-S65 PolarHBondContact O-N 3.07Å; T61-S65 PolarHBondContact O-OG 2.74Å
62A98.6Very high98.3Very high0 Ų056 Ų560%031%0.305CS..Hα-helixtrans-60.1-53.6-173.900000112.4Y55 S56 D58 S64 S65 I66 W135 L175Y55-A62 HydrophobicContact CE2-CB 3.99Å; S56-A62 VanDerWaalsContact O-CA 3.27Å; S56-A62 WeakPolarHBondContact O-CA 3.46Å; D58-A62 WeakPolarHBondContact O-CB 3.36Å; D58-A62 PolarHBondContact O-N 2.94Å; A62-S64 PolarHBondContact O-N 3.4Å; A62-S65 PolarHBondContact O-N 3.03Å; A62-S65 PolarHBondContact O-OG 2.84Å; A62-I66 PolarHBondContact O-N 3.36Å; A62-I66 VanDerWaalsContact O-N 3.12Å; A62-W135 HydrophobicContact CB-CB 3.84Å; A62-W135 HydrophobicContact CB-CG 4.36Å; A62-L175 HydrophobicContact CB-CD2 3.53Å
63F98.6Very high98.3Very high56 Ų5656.1 Ų56.125%0.24630%0.303CS..Hα-helixtrans-60-44.3179.1-173.5-90.9000112.3T61 I66 A67 P134 W135 Y256 L258T61-F63 PolarHBondContact O-N 2.94Å; F63-I66 PolarHBondContact O-N 2.82Å; F63-A67 PolarHBondContact O-N 2.82Å; F63-A67 VanDerWaalsContact O-N 3.11Å; F63-P134 WeakPolarHBondContact CA-O 3.3Å; F63-P134 WeakPolarHBondContact CD2-O 3.48Å; F63-W135 HydrophobicContact CB-CB 4.45Å; F63-Y256 WeakPolarHBondContact CZ-O 3.47Å; F63-L258 HydrophobicContact CB-CD1 3.45Å; F63-L258 VanDerWaalsContact CB-CD1 3.45Å; F63-L258 HydrophobicContact CD1-CB 4.22Å; F63-L258 HydrophobicContact CD1-CD1 4.13Å; F63-L258 HydrophobicContact CD2-CB 4.47Å; F63-L258 HydrophobicContact CD2-CD1 4.22Å; F63-L258 HydrophobicContact CE1-CB 4.35Å; F63-L258 HydrophobicContact CG-CB 4.29Å; F63-L258 HydrophobicContact CG-CD1 3.68Å
64S98.5Very high98.3Very high64 Ų6457.2 Ų57.245%0.44831%0.311SS..Hα-helixtrans-70-31.3178.858.50000112.5T61 A62 A67 H68T61-S64 PolarHBondContact O-N 3.38Å; T61-S64 PolarHBondContact O-OG 3.4Å; A62-S64 PolarHBondContact O-N 3.4Å; S64-A67 WeakPolarHBondContact O-CB 3.2Å; S64-A67 PolarHBondContact O-N 3.4Å; S64-H68 WeakPolarHBondContact O-CB 3.28Å; S64-H68 PolarHBondContact O-N 3.29Å
65S98.6Very high98.3Very high11 Ų1161.6 Ų61.68%0.07733%0.325CS..Hα-helixtrans-66.9-36.1174.2760000112.3Y55 S56 T61 A62 H68 I69Y55-S65 WeakPolarHBondContact CD2-OG 3.29Å; S56-S65 PolarHBondContact N-OG 2.91Å; T61-S65 VanDerWaalsContact O-CB 3.28Å; T61-S65 WeakPolarHBondContact O-CB 3.42Å; T61-S65 PolarHBondContact O-N 3.07Å; T61-S65 PolarHBondContact O-OG 2.74Å; A62-S65 PolarHBondContact O-N 3.03Å; A62-S65 PolarHBondContact O-OG 2.84Å; S65-H68 PolarHBondContact O-N 3.46Å; S65-I69 WeakPolarHBondContact O-CG1 3.35Å; S65-I69 PolarHBondContact O-N 2.88Å
66I98.6Very high98.3Very high26 Ų2660.5 Ų60.513%0.13332%0.322CS..Hα-helixtrans-66.3-40.3171-65-55.6000111.4Y55 A62 F63 I69 T70 R80 P134Y55-I66 HydrophobicContact CD2-CD1 3.74Å; Y55-I66 HydrophobicContact CD2-CG1 4.25Å; Y55-I66 HydrophobicContact CE2-CD1 4.15Å; Y55-I66 HydrophobicContact CE2-CG1 4.31Å; A62-I66 PolarHBondContact O-N 3.36Å; A62-I66 VanDerWaalsContact O-N 3.12Å; F63-I66 PolarHBondContact O-N 2.82Å; I66-I69 HydrophobicContact CD1-CD1 4.19Å; I66-I69 PolarHBondContact O-N 3.08Å; I66-T70 PolarHBondContact O-N 3.47Å; I66-T70 PolarHBondContact O-OG1 2.92Å; I66-R80 VanDerWaalsContact CG2-NE 3.27Å; I66-P134 HydrophobicContact CG1-CB 4.41Å
67A98.4Very high98.3Very high35 Ų3563.3 Ų63.329%0.28933%0.325SS..Hα-helixtrans-62.6-43.4174.400000111.5F63 S64 T70 R71F63-A67 PolarHBondContact O-N 2.82Å; F63-A67 VanDerWaalsContact O-N 3.11Å; S64-A67 WeakPolarHBondContact O-CB 3.2Å; S64-A67 PolarHBondContact O-N 3.4Å; A67-T70 PolarHBondContact O-N 3.25Å; A67-T70 VanDerWaalsContact O-N 3.15Å; A67-R71 WeakPolarHBondContact O-CB 3.29Å; A67-R71 WeakPolarHBondContact O-CG 3.37Å; A67-R71 PolarHBondContact O-N 2.86Å
68H98.8Very high98.4Very high78 Ų7863.3 Ų63.336%0.36132%0.323SS..Hα-helixtrans-60.1-46.4174.4165.8-92.8000112S64 S65 T70 R71 D72 V73S64-H68 WeakPolarHBondContact O-CB 3.28Å; S64-H68 PolarHBondContact O-N 3.29Å; S65-H68 PolarHBondContact O-N 3.46Å; H68-T70 PolarHBondContact O-N 3.36Å; H68-R71 PolarHBondContact O-N 3.33Å; H68-D72 IonicContact CD2-OD2 3.33Å; H68-D72 PolarHBondContact CD2-OD2 2.87Å; H68-D72 IonicContact CG-OD2 3.92Å; H68-D72 WeakPolarHBondContact O-CB 3.42Å; H68-D72 PolarHBondContact O-N 3.44Å; H68-V73 PolarHBondContact O-N 3.43Å
69I98.8Very high98.4Very high1 Ų162.5 Ų62.51%0.00532%0.318CS..Hα-helixtrans-54.6-44.1173.1-74.2165.8000110.8L51 H54 S65 I66 G76 R80L51-I69 HydrophobicContact CD2-CD1 4.26Å; L51-I69 HydrophobicContact CD2-CG2 3.55Å; H54-I69 HydrophobicContact CB-CD1 3.89Å; H54-I69 HydrophobicContact CB-CG1 3.51Å; S65-I69 WeakPolarHBondContact O-CG1 3.35Å; S65-I69 PolarHBondContact O-N 2.88Å; I66-I69 HydrophobicContact CD1-CD1 4.19Å; I66-I69 PolarHBondContact O-N 3.08Å; I69-G76 CarbonylContact O-C 3.34Å; I69-G76 WeakPolarHBondContact O-CA 3.47Å; I69-R80 HydrophobicContact CG2-CB 4.4Å
70T98.4Very high98.6Very high33 Ų3363.5 Ų63.520%0.20232%0.318CS..Hα-helixtrans-72.9-33.6-175-51.10000112.2I66 A67 H68 W77 R80I66-T70 PolarHBondContact O-N 3.47Å; I66-T70 PolarHBondContact O-OG1 2.92Å; A67-T70 PolarHBondContact O-N 3.25Å; A67-T70 VanDerWaalsContact O-N 3.15Å; H68-T70 PolarHBondContact O-N 3.36Å; T70-W77 HydrophobicContact CG2-CB 3.97Å; T70-W77 WeakPolarHBondContact O-CB 3.41Å; T70-R80 WeakPolarHBondContact OG1-CD 3.2Å
71R98.6Very high98.6Very high209 Ų20960.3 Ų60.379%0.78929%0.291SS*.Hα-helixtrans-104.3-35.6-168.6-66178.9177.1-161.9-0.9114.3A67 H68A67-R71 WeakPolarHBondContact O-CB 3.29Å; A67-R71 WeakPolarHBondContact O-CG 3.37Å; A67-R71 PolarHBondContact O-N 2.86Å; H68-R71 PolarHBondContact O-N 3.33Å
72D98.6Very high98.7Very high109 Ų10959.4 Ų59.458%0.58328%0.284SS*.THydrogen-bonded Turntrans-114.3-27.7-165.7-52.5-42.3000112.6H68H68-D72 IonicContact CD2-OD2 3.33Å; H68-D72 PolarHBondContact CD2-OD2 2.87Å; H68-D72 IonicContact CG-OD2 3.92Å; H68-D72 WeakPolarHBondContact O-CB 3.42Å; H68-D72 PolarHBondContact O-N 3.44Å
73V98.8Very high98.7Very high27 Ų2761 Ų6116%0.16429%0.291CS..SBendtrans-78.3129176.6179.40000110.1H54 H68 Y75 G76H54-V73 HydrophobicContact CB-CG2 4.35Å; H68-V73 PolarHBondContact O-N 3.43Å; V73-Y75 PolarHBondContact O-N 2.96Å; V73-Y75 VanDerWaalsContact O-N 3.15Å; V73-G76 PolarHBondContact O-N 3.4Å
74N98.6Very high98.7Very high143 Ų14360.7 Ų60.777%0.76530%0.3SS*.THydrogen-bonded Turntrans-54.5120.4175.9-69.1-41.1000111G76N74-G76 PolarHBondContact O-N 3.21Å; N74-G76 VanDerWaalsContact O-N 3.1Å
75Y98.5Very high98.7Very high174 Ų17457.9 Ų57.968%0.68228%0.28SS*.THydrogen-bonded Turntrans57.614.9-174.6-54.6-78.5000114.8V73 W77 I78 I79V73-Y75 PolarHBondContact O-N 2.96Å; V73-Y75 VanDerWaalsContact O-N 3.15Å; Y75-W77 VanDerWaalsContact C-N 3.3Å; Y75-W77 PolarHBondContact O-N 3.12Å; Y75-I78 HydrophobicContact CD1-CG2 4.36Å; Y75-I78 WeakPolarHBondContact O-CG2 3.47Å; Y75-I78 PolarHBondContact O-N 3.17Å; Y75-I79 WeakPolarHBondContact O-CG1 3.34Å; Y75-I79 PolarHBondContact O-N 3.42Å
76G98.8Very high98.7Very high2 Ų257.4 Ų57.42%0.02128%0.276CS..Hα-helixtrans-65.6-33.1-179.200000112.8I69 V73 N74 I78 I79 R80I69-G76 CarbonylContact O-C 3.34Å; I69-G76 WeakPolarHBondContact O-CA 3.47Å; V73-G76 PolarHBondContact O-N 3.4Å; N74-G76 PolarHBondContact O-N 3.21Å; N74-G76 VanDerWaalsContact O-N 3.1Å; G76-I78 PolarHBondContact O-N 2.96Å; G76-I79 PolarHBondContact O-N 3.2Å; G76-R80 WeakPolarHBondContact O-CB 3.34Å; G76-R80 PolarHBondContact O-N 3.31Å
77W98.6Very high98.7Very high108 Ų10857.1 Ų57.141%0.40928%0.278SS..Hα-helixtrans-57.9-47.4173.369.2-90.3000112.5T70 Y75 R80 Y81 L244T70-W77 HydrophobicContact CG2-CB 3.97Å; T70-W77 WeakPolarHBondContact O-CB 3.41Å; Y75-W77 VanDerWaalsContact C-N 3.3Å; Y75-W77 PolarHBondContact O-N 3.12Å; W77-R80 PolarHBondContact O-N 3.32Å; W77-Y81 HydrophobicContact CE3-CD2 4.06Å; W77-Y81 HydrophobicContact CE3-CE2 4.48Å; W77-Y81 WeakPolarHBondContact O-CD2 3.42Å; W77-Y81 PolarHBondContact O-N 2.84Å; W77-L244 HydrophobicContact CH2-CD2 3.89Å; W77-L244 HydrophobicContact CZ3-CD2 4.21Å
78I98.8Very high98.7Very high33 Ų3355.7 Ų55.717%0.16927%0.265CS..Hα-helixtrans-71.4-37.3-177.6-173.2168.9000110.6Y75 G76 Y81 L82 M240 T243 L244Y75-I78 HydrophobicContact CD1-CG2 4.36Å; Y75-I78 WeakPolarHBondContact O-CG2 3.47Å; Y75-I78 PolarHBondContact O-N 3.17Å; G76-I78 PolarHBondContact O-N 2.96Å; I78-Y81 PolarHBondContact O-N 3.36Å; I78-L82 HydrophobicContact CG1-CD1 4.06Å; I78-L82 HydrophobicContact CG1-CG 4.19Å; I78-L82 VanDerWaalsContact O-CB 3.27Å; I78-L82 WeakPolarHBondContact O-CB 3.48Å; I78-L82 WeakPolarHBondContact O-CG 3.43Å; I78-L82 PolarHBondContact O-N 3.07Å; I78-M240 HydrophobicContact CD1-CE 4.27Å; I78-T243 HydrophobicContact CG1-CG2 4.3Å; I78-L244 HydrophobicContact CD1-CD2 3.99Å
79I98.8Very high98.7Very high39 Ų3952.9 Ų52.920%0.225%0.253CS..Hα-helixtrans-62.3-44.4174.2-62.2169.9000110.3T47 F50 L51 Y75 G76 L82 H83T47-I79 HydrophobicContact CG2-CG2 4.29Å; F50-I79 HydrophobicContact CB-CD1 4.35Å; F50-I79 HydrophobicContact CB-CG2 4.21Å; L51-I79 HydrophobicContact CD2-CG2 3.97Å; L51-I79 HydrophobicContact CG-CG2 3.87Å; Y75-I79 WeakPolarHBondContact O-CG1 3.34Å; Y75-I79 PolarHBondContact O-N 3.42Å; G76-I79 PolarHBondContact O-N 3.2Å; I79-L82 PolarHBondContact O-N 2.93Å; I79-H83 WeakPolarHBondContact O-CB 3.37Å; I79-H83 PolarHBondContact O-N 2.86Å
80R98.8Very high98.7Very high41 Ų4153.7 Ų53.716%0.15526%0.256CS..Hα-helixtrans-59.2-49.8176.4178.9-176.2174.6-105.41.4111.4L51 I66 I69 T70 G76 W77 H83 A84 Y256L51-R80 HydrophobicContact CD2-CB 4.1Å; I66-R80 VanDerWaalsContact CG2-NE 3.27Å; I69-R80 HydrophobicContact CG2-CB 4.4Å; T70-R80 WeakPolarHBondContact OG1-CD 3.2Å; G76-R80 WeakPolarHBondContact O-CB 3.34Å; G76-R80 PolarHBondContact O-N 3.31Å; W77-R80 PolarHBondContact O-N 3.32Å; R80-H83 WeakPolarHBondContact O-CB 3.28Å; R80-H83 PolarHBondContact O-N 2.99Å; R80-A84 WeakPolarHBondContact O-CB 3.33Å; R80-A84 PolarHBondContact O-N 2.89Å; R80-Y256 PolarHBondContact NH1-OH 3.38Å; R80-Y256 VanDerWaalsContact NH1-OH 3.15Å
81Y98.8Very high98.8Very high30 Ų3052.2 Ų52.212%0.11825%0.247CC..Hα-helixtrans-72.6-31.7-178.1-69.5-59.7000113.1W77 I78 H83 A84 N85 P247 Y256W77-Y81 HydrophobicContact CE3-CD2 4.06Å; W77-Y81 HydrophobicContact CE3-CE2 4.48Å; W77-Y81 WeakPolarHBondContact O-CD2 3.42Å; W77-Y81 PolarHBondContact O-N 2.84Å; I78-Y81 PolarHBondContact O-N 3.36Å; Y81-H83 VanDerWaalsContact C-N 3.3Å; Y81-A84 PolarHBondContact O-N 3.39Å; Y81-N85 VanDerWaalsContact O-CB 3.23Å; Y81-N85 WeakPolarHBondContact O-CB 3.37Å; Y81-N85 PolarHBondContact O-N 3.41Å; Y81-N85 PolarHBondContact O-ND2 3.42Å; Y81-P247 HydrophobicContact CD1-CB 3.56Å; Y81-P247 HydrophobicContact CD2-CB 4.03Å; Y81-P247 HydrophobicContact CE1-CB 3.78Å; Y81-P247 HydrophobicContact CE2-CB 4.22Å; Y81-P247 HydrophobicContact CG-CB 3.71Å; Y81-Y256 PolarHBondContact OH-OH 3.02Å
82L98.9Very high98.8Very high29 Ų2945.1 Ų45.115%0.15222%0.224CC..Hα-helixtrans-61.6-40.7168.9-77.6172.5000111.1T47 I78 I79 G86 L239 M240 T243T47-L82 HydrophobicContact CG2-CB 4.07Å; I78-L82 HydrophobicContact CG1-CD1 4.06Å; I78-L82 HydrophobicContact CG1-CG 4.19Å; I78-L82 VanDerWaalsContact O-CB 3.27Å; I78-L82 WeakPolarHBondContact O-CB 3.48Å; I78-L82 WeakPolarHBondContact O-CG 3.43Å; I78-L82 PolarHBondContact O-N 3.07Å; I79-L82 PolarHBondContact O-N 2.93Å; L82-G86 WeakPolarHBondContact O-CA 3.27Å; L82-G86 PolarHBondContact O-N 2.89Å; L82-L239 HydrophobicContact CD2-CD2 3.89Å; L82-L239 HydrophobicContact CD2-CG 4.02Å; L82-M240 HydrophobicContact CD2-SD 3.87Å; L82-T243 HydrophobicContact CD2-CG2 4.16Å; L82-T243 HydrophobicContact CG-CG2 4.15Å
83H98.9Very high98.8Very high32 Ų3240.1 Ų40.115%0.14820%0.197CC..Hα-helixtrans-68.3-44.2177.4-164.981.2000112.2Q44 T47 G48 L51 I79 R80 Y81 A87 H182Q44-H83 PolarHBondContact NE2-O 3.43Å; Q44-H83 PolarHBondContact O-CE1 3.03Å; Q44-H83 VanDerWaalsContact O-CE1 3.25Å; Q44-H83 PolarHBondContact O-ND1 3.49Å; Q44-H83 PolarHBondContact OE1-O 3.35Å; T47-H83 PolarHBondContact OG1-ND1 3.29Å; G48-H83 VanDerWaalsContact CA-CE1 3.46Å; G48-H83 WeakPolarHBondContact CA-CE1 3.32Å; G48-H83 PolarHBondContact N-ND1 3.3Å; L51-H83 HydrophobicContact CD1-CB 3.5Å; I79-H83 WeakPolarHBondContact O-CB 3.37Å; I79-H83 PolarHBondContact O-N 2.86Å; R80-H83 WeakPolarHBondContact O-CB 3.28Å; R80-H83 PolarHBondContact O-N 2.99Å; Y81-H83 VanDerWaalsContact C-N 3.3Å; H83-A87 PolarHBondContact O-N 3.35Å; H83-A87 VanDerWaalsContact O-N 3.13Å; H83-H182 AromaticContact NE2-NE2 3.96Å
84A98.8Very high98.8Very high51 Ų5139.4 Ų39.442%0.42119%0.193SC..Hα-helixtrans-68.9-51-179.700000112.3R80 Y81 A87R80-A84 WeakPolarHBondContact O-CB 3.33Å; R80-A84 PolarHBondContact O-N 2.89Å; Y81-A84 PolarHBondContact O-N 3.39Å; A84-A87 WeakPolarHBondContact O-CB 3.33Å; A84-A87 PolarHBondContact O-N 3.42Å
85N98.9Very high98.8Very high5 Ų535.6 Ų35.63%0.02717%0.17CC..Hα-helixtrans-72.2-31.5178-71-51.7000111.9Y81 A87 S88 M89 L239 L242 P247Y81-N85 VanDerWaalsContact O-CB 3.23Å; Y81-N85 WeakPolarHBondContact O-CB 3.37Å; Y81-N85 PolarHBondContact O-N 3.41Å; Y81-N85 PolarHBondContact O-ND2 3.42Å; N85-A87 VanDerWaalsContact C-N 3.29Å; N85-A87 PolarHBondContact O-N 2.86Å; N85-S88 WeakPolarHBondContact O-CB 3.49Å; N85-S88 PolarHBondContact O-N 3.15Å; N85-S88 VanDerWaalsContact O-N 3.13Å; N85-M89 WeakPolarHBondContact O-CG 3.33Å; N85-M89 PolarHBondContact O-N 2.8Å; N85-L239 HydrophobicContact CB-CD1 3.91Å; N85-L242 HydrophobicContact CB-CD2 3.76Å; N85-L242 HydrophobicContact CB-CG 4.16Å; N85-L242 WeakPolarHBondContact OD1-CD2 3.38Å; N85-P247 PolarHBondContact ND2-O 3.29Å; N85-P247 PolarHBondContact OD1-O 3.43Å
86G98.9Very high98.8Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-60.6-36.1172.400000112.7Q44 L82 M89 F90Q44-G86 VanDerWaalsContact OE1-CA 3.3Å; L82-G86 WeakPolarHBondContact O-CA 3.27Å; L82-G86 PolarHBondContact O-N 2.89Å; G86-M89 PolarHBondContact O-N 2.97Å; G86-F90 WeakPolarHBondContact O-CB 3.5Å; G86-F90 PolarHBondContact O-N 3.14Å
87A98.8Very high98.8Very high21 Ų2132.1 Ų32.117%0.17416%0.16CC..Hα-helixtrans-62-43.9171.600000112H83 A84 N85 F90 F91H83-A87 PolarHBondContact O-N 3.35Å; H83-A87 VanDerWaalsContact O-N 3.13Å; A84-A87 WeakPolarHBondContact O-CB 3.33Å; A84-A87 PolarHBondContact O-N 3.42Å; N85-A87 VanDerWaalsContact C-N 3.29Å; N85-A87 PolarHBondContact O-N 2.86Å; A87-F90 VanDerWaalsContact O-CB 3.25Å; A87-F90 WeakPolarHBondContact O-CB 3.48Å; A87-F90 PolarHBondContact O-N 3.17Å; A87-F91 WeakPolarHBondContact O-CD2 3.43Å; A87-F91 PolarHBondContact O-N 3.39Å
88S98.8Very high98.8Very high4 Ų428.4 Ų28.43%0.02815%0.149CC..Hα-helixtrans-62.1-45.2173.9-72.60000112N85 F90 F91 I92 L250 W272N85-S88 WeakPolarHBondContact O-CB 3.49Å; N85-S88 PolarHBondContact O-N 3.15Å; N85-S88 VanDerWaalsContact O-N 3.13Å; S88-F90 PolarHBondContact O-N 2.95Å; S88-F91 PolarHBondContact O-N 3.04Å; S88-F91 VanDerWaalsContact O-N 3.14Å; S88-I92 WeakPolarHBondContact O-CG1 3.48Å; S88-I92 PolarHBondContact O-N 2.67Å; S88-L250 VanDerWaalsContact CB-CD1 3.5Å; S88-W272 WeakPolarHBondContact O-CZ2 3.31Å; S88-W272 PolarHBondContact OG-NE1 3.06Å
89M98.8Very high98.9Very high19 Ų1927.3 Ų27.39%0.09415%0.145CC..Hα-helixtrans-62.4-32.8176.8-66.9-57.8-64.200112.4N85 G86 I92 C93 F235 S238 L239N85-M89 WeakPolarHBondContact O-CG 3.33Å; N85-M89 PolarHBondContact O-N 2.8Å; G86-M89 PolarHBondContact O-N 2.97Å; M89-I92 PolarHBondContact O-N 2.97Å; M89-I92 HydrophobicContact SD-CD1 3.93Å; M89-C93 WeakPolarHBondContact O-CB 3.39Å; M89-C93 PolarHBondContact O-N 3.29Å; M89-C93 PolarHBondContact O-SG 2.8Å; M89-F235 HydrophobicContact CB-CE2 3.71Å; M89-F235 HydrophobicContact CB-CZ 4.12Å; M89-F235 HydrophobicContact CE-CD2 3.98Å; M89-F235 HydrophobicContact CE-CE2 4.06Å; M89-F235 HydrophobicContact CG-CE2 4.44Å; M89-S238 WeakPolarHBondContact CE-OG 3.38Å; M89-L239 HydrophobicContact CG-CB 4.36Å; M89-L239 HydrophobicContact CG-CD1 3.89Å
90F98.9Very high98.9Very high19 Ų1926.5 Ų26.58%0.08314%0.139CC..Hα-helixtrans-59-52.6171.8-153.8-43.5000110.1L37 C40 L41 Q44 G86 A87 S88 I92 C93 L94 T123L37-F90 HydrophobicContact CD2-CD1 3.49Å; L37-F90 VanDerWaalsContact CD2-CD1 3.49Å; L37-F90 HydrophobicContact CD2-CE1 3.46Å; L37-F90 VanDerWaalsContact CD2-CE1 3.46Å; C40-F90 HydrophobicContact CB-CB 4.05Å; C40-F90 HydrophobicContact CB-CD1 4.31Å; C40-F90 HydrophobicContact CB-CD2 3.56Å; C40-F90 HydrophobicContact CB-CE2 4.04Å; C40-F90 HydrophobicContact CB-CG 3.7Å; L41-F90 HydrophobicContact CB-CE2 4.09Å; L41-F90 HydrophobicContact CB-CZ 4.27Å; L41-F90 HydrophobicContact CD1-CE2 4.26Å; Q44-F90 HydrophobicContact CG-CD2 3.98Å; G86-F90 WeakPolarHBondContact O-CB 3.5Å; G86-F90 PolarHBondContact O-N 3.14Å; A87-F90 VanDerWaalsContact O-CB 3.25Å; A87-F90 WeakPolarHBondContact O-CB 3.48Å; A87-F90 PolarHBondContact O-N 3.17Å; S88-F90 PolarHBondContact O-N 2.95Å; F90-I92 PolarHBondContact O-N 3.44Å; F90-C93 PolarHBondContact O-N 3.47Å; F90-L94 HydrophobicContact CD1-CD1 4.28Å; F90-L94 HydrophobicContact CE1-CD1 4.19Å; F90-L94 VanDerWaalsContact O-CB 3.26Å; F90-L94 WeakPolarHBondContact O-CB 3.37Å; F90-L94 PolarHBondContact O-N 3.39Å; F90-T123 HydrophobicContact CD1-CG2 4.05Å; F90-T123 HydrophobicContact CE1-CG2 3.91Å; F90-T123 HydrophobicContact CG-CG2 4.47Å; F90-T123 HydrophobicContact CZ-CG2 4.19Å
91F98.9Very high98.9Very high2 Ų224.7 Ų24.71%0.00913%0.133CC..Hα-helixtrans-65.8-36.1179.7-81.7-80.8000113.5A87 S88 L94 F95 T123 M124 A127 W272 Y273A87-F91 WeakPolarHBondContact O-CD2 3.43Å; A87-F91 PolarHBondContact O-N 3.39Å; S88-F91 PolarHBondContact O-N 3.04Å; S88-F91 VanDerWaalsContact O-N 3.14Å; F91-L94 PolarHBondContact O-N 2.93Å; F91-F95 HydrophobicContact CB-CD2 4.45Å; F91-F95 HydrophobicContact CB-CE2 4Å; F91-F95 HydrophobicContact CB-CZ 4.42Å; F91-F95 HydrophobicContact CD1-CE1 4.27Å; F91-F95 HydrophobicContact CD1-CE2 4.23Å; F91-F95 AromaticContact CD1-CZ 3.79Å; F91-F95 HydrophobicContact CD1-CZ 3.79Å; F91-F95 WeakPolarHBondContact O-CD2 3.43Å; F91-F95 VanDerWaalsContact O-CG 3.28Å; F91-F95 WeakPolarHBondContact O-CG 3.5Å; F91-F95 PolarHBondContact O-N 3.4Å; F91-T123 HydrophobicContact CE2-CG2 4.37Å; F91-T123 HydrophobicContact CZ-CG2 4.08Å; F91-M124 HydrophobicContact CE1-CG 3.85Å; F91-M124 HydrophobicContact CZ-CG 4.19Å; F91-A127 HydrophobicContact CE2-CB 3.49Å; F91-A127 VanDerWaalsContact CE2-CB 3.49Å; F91-A127 HydrophobicContact CZ-CB 3.86Å; F91-W272 HydrophobicContact CB-CH2 4.1Å; F91-W272 HydrophobicContact CB-CZ2 4.15Å; F91-Y273 HydrophobicContact CB-CD1 4.26Å; F91-Y273 HydrophobicContact CB-CG 3.98Å; F91-Y273 AromaticContact CD1-CD2 3.99Å; F91-Y273 HydrophobicContact CD1-CD2 3.99Å; F91-Y273 HydrophobicContact CD1-CG 4.03Å; F91-Y273 AromaticContact CD2-CD1 3.77Å; F91-Y273 HydrophobicContact CD2-CD1 3.77Å; F91-Y273 AromaticContact CD2-CD2 3.53Å; F91-Y273 HydrophobicContact CD2-CD2 3.53Å; F91-Y273 HydrophobicContact CD2-CE1 4.08Å; F91-Y273 AromaticContact CD2-CE2 3.8Å; F91-Y273 HydrophobicContact CD2-CE2 3.8Å; F91-Y273 AromaticContact CD2-CG 3.5Å; F91-Y273 HydrophobicContact CD2-CG 3.5Å; F91-Y273 AromaticContact CE1-CD2 3.93Å; F91-Y273 HydrophobicContact CE1-CD2 3.93Å; F91-Y273 HydrophobicContact CE1-CG 4.44Å; F91-Y273 HydrophobicContact CE2-CD1 4.41Å; F91-Y273 AromaticContact CE2-CD2 3.47Å; F91-Y273 HydrophobicContact CE2-CD2 3.47Å; F91-Y273 VanDerWaalsContact CE2-CD2 3.47Å; F91-Y273 HydrophobicContact CE2-CE1 4.44Å; F91-Y273 AromaticContact CE2-CE2 3.45Å; F91-Y273 HydrophobicContact CE2-CE2 3.45Å; F91-Y273 VanDerWaalsContact CE2-CE2 3.45Å; F91-Y273 AromaticContact CE2-CG 3.98Å; F91-Y273 HydrophobicContact CE2-CG 3.98Å; F91-Y273 AromaticContact CE2-CZ 4Å; F91-Y273 HydrophobicContact CG-CD1 4.09Å; F91-Y273 AromaticContact CG-CD2 3.8Å; F91-Y273 HydrophobicContact CG-CD2 3.8Å; F91-Y273 AromaticContact CG-CG 3.54Å; F91-Y273 HydrophobicContact CG-CG 3.54Å; F91-Y273 AromaticContact CZ-CD2 3.68Å; F91-Y273 HydrophobicContact CZ-CD2 3.68Å; F91-Y273 AromaticContact CZ-CE2 3.89Å; F91-Y273 HydrophobicContact CZ-CE2 3.89Å; F91-Y273 HydrophobicContact CZ-CG 4.42Å
92I98.9Very high98.9Very high60 Ų6024.4 Ų24.431%0.30813%0.134SC..Hα-helixtrans-57.8-52.3171.3-67169.2000109.7S88 M89 F90 L94 F95 L96 W272S88-I92 WeakPolarHBondContact O-CG1 3.48Å; S88-I92 PolarHBondContact O-N 2.67Å; M89-I92 PolarHBondContact O-N 2.97Å; M89-I92 HydrophobicContact SD-CD1 3.93Å; F90-I92 PolarHBondContact O-N 3.44Å; I92-L94 PolarHBondContact O-N 3.37Å; I92-F95 PolarHBondContact O-N 2.85Å; I92-L96 HydrophobicContact CG2-CD1 3.93Å; I92-L96 VanDerWaalsContact O-CG 3.26Å; I92-L96 WeakPolarHBondContact O-CG 3.4Å; I92-L96 PolarHBondContact O-N 2.95Å; I92-L96 VanDerWaalsContact O-N 3.08Å; I92-W272 HydrophobicContact CD1-CH2 4.49Å; I92-W272 HydrophobicContact CD1-CZ2 4.29Å; I92-W272 HydrophobicContact CG1-CH2 3.54Å; I92-W272 HydrophobicContact CG1-CZ2 3.71Å
93C98.9Very high98.9Very high3 Ų324.7 Ų24.72%0.0213%0.133CC..Hα-helixtrans-60.4-37.5178.2-67.40000111.8F33 L37 M89 F90 H97F33-C93 HydrophobicContact CD1-CB 4.03Å; L37-C93 HydrophobicContact CD2-CB 3.75Å; L37-C93 HydrophobicContact CG-CB 4.03Å; M89-C93 WeakPolarHBondContact O-CB 3.39Å; M89-C93 PolarHBondContact O-N 3.29Å; M89-C93 PolarHBondContact O-SG 2.8Å; F90-C93 PolarHBondContact O-N 3.47Å; C93-H97 WeakPolarHBondContact O-CB 3.29Å; C93-H97 PolarHBondContact O-N 2.9Å
94L98.8Very high98.9Very high12 Ų1224.3 Ų24.36%0.06313%0.131CC..Hα-helixtrans-69.3-47.6-176.7-161.4156000110.8L37 F90 F91 I92 L96 H97 I98 L120 T123L37-L94 HydrophobicContact CD2-CB 3.88Å; L37-L94 HydrophobicContact CD2-CG 4.39Å; F90-L94 HydrophobicContact CD1-CD1 4.28Å; F90-L94 HydrophobicContact CE1-CD1 4.19Å; F90-L94 VanDerWaalsContact O-CB 3.26Å; F90-L94 WeakPolarHBondContact O-CB 3.37Å; F90-L94 PolarHBondContact O-N 3.39Å; F91-L94 PolarHBondContact O-N 2.93Å; I92-L94 PolarHBondContact O-N 3.37Å; L94-L96 PolarHBondContact O-N 3.48Å; L94-H97 WeakPolarHBondContact O-CB 3.49Å; L94-H97 PolarHBondContact O-N 3.48Å; L94-I98 HydrophobicContact CD2-CD1 3.43Å; L94-I98 VanDerWaalsContact CD2-CD1 3.43Å; L94-I98 HydrophobicContact CD2-CG1 4.15Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 3.34Å; L94-L120 HydrophobicContact CD1-CD1 4.33Å; L94-L120 HydrophobicContact CD2-CB 4.29Å; L94-L120 HydrophobicContact CD2-CD1 3.33Å; L94-L120 HydrophobicContact CD2-CG 4.3Å; L94-L120 HydrophobicContact CG-CD1 4.49Å; L94-T123 HydrophobicContact CD1-CG2 4.04Å
95F98.9Very high98.8Very high64 Ų6421.9 Ų21.928%0.28111%0.111SC..Hα-helixtrans-64-39.4176.7-62.7-37.9000112.3F91 I92 I98 G99 W272 Y273 F276F91-F95 HydrophobicContact CB-CD2 4.45Å; F91-F95 HydrophobicContact CB-CE2 4Å; F91-F95 HydrophobicContact CB-CZ 4.42Å; F91-F95 HydrophobicContact CD1-CE1 4.27Å; F91-F95 HydrophobicContact CD1-CE2 4.23Å; F91-F95 AromaticContact CD1-CZ 3.79Å; F91-F95 HydrophobicContact CD1-CZ 3.79Å; F91-F95 WeakPolarHBondContact O-CD2 3.43Å; F91-F95 VanDerWaalsContact O-CG 3.28Å; F91-F95 WeakPolarHBondContact O-CG 3.5Å; F91-F95 PolarHBondContact O-N 3.4Å; I92-F95 PolarHBondContact O-N 2.85Å; F95-I98 PolarHBondContact O-N 2.9Å; F95-G99 PolarHBondContact O-N 3.15Å; F95-W272 HydrophobicContact CD2-CH2 4.23Å; F95-W272 HydrophobicContact CD2-CZ3 4.17Å; F95-W272 HydrophobicContact CE2-CH2 4.07Å; F95-W272 AromaticContact CE2-CZ3 3.86Å; F95-W272 HydrophobicContact CE2-CZ3 3.86Å; F95-Y273 WeakPolarHBondContact CZ-O 3.4Å; F95-F276 HydrophobicContact CE1-CE1 4.43Å; F95-F276 HydrophobicContact CZ-CE1 4.29Å
96L98.9Very high98.8Very high64 Ų6422.6 Ų22.634%0.33512%0.116SC..Hα-helixtrans-68-36.2174.9-63.3175.8000111.9W30 F33 I92 L94 G99 R100W30-L96 HydrophobicContact CZ3-CD2 4.12Å; F33-L96 HydrophobicContact CD1-CB 4.08Å; F33-L96 HydrophobicContact CD1-CD1 4.39Å; F33-L96 HydrophobicContact CD2-CB 3.93Å; F33-L96 HydrophobicContact CE1-CB 3.94Å; F33-L96 HydrophobicContact CE1-CD1 3.49Å; F33-L96 VanDerWaalsContact CE1-CD1 3.49Å; F33-L96 HydrophobicContact CE1-CG 4.35Å; F33-L96 HydrophobicContact CE2-CB 3.8Å; F33-L96 HydrophobicContact CE2-CD1 4.08Å; F33-L96 HydrophobicContact CG-CB 4.09Å; F33-L96 HydrophobicContact CZ-CB 3.81Å; F33-L96 HydrophobicContact CZ-CD1 3.31Å; F33-L96 HydrophobicContact CZ-CG 4.17Å; I92-L96 HydrophobicContact CG2-CD1 3.93Å; I92-L96 VanDerWaalsContact O-CG 3.26Å; I92-L96 WeakPolarHBondContact O-CG 3.4Å; I92-L96 PolarHBondContact O-N 2.95Å; I92-L96 VanDerWaalsContact O-N 3.08Å; L94-L96 PolarHBondContact O-N 3.48Å; L96-G99 PolarHBondContact O-N 3.26Å; L96-R100 WeakPolarHBondContact O-CB 3.33Å; L96-R100 PolarHBondContact O-N 3.25Å
97H98.9Very high98.8Very high38 Ų3823.1 Ų23.118%0.17612%0.118CC..Hα-helixtrans-64.4-43.8174.5-168.1102.7000112.2F33 G34 L37 C93 L94 R100 G101F33-H97 HydrophobicContact CB-CB 3.93Å; G34-H97 PolarHBondContact N-ND1 3.18Å; L37-H97 HydrophobicContact CD1-CB 3.77Å; C93-H97 WeakPolarHBondContact O-CB 3.29Å; C93-H97 PolarHBondContact O-N 2.9Å; L94-H97 WeakPolarHBondContact O-CB 3.49Å; L94-H97 PolarHBondContact O-N 3.48Å; H97-R100 PolarHBondContact CE1-NH2 2.9Å; H97-R100 PolarHBondContact ND1-NH2 3.2Å; H97-R100 PolarHBondContact NE2-NH2 3.1Å; H97-G101 PolarHBondContact O-N 3.44Å; H97-G101 VanDerWaalsContact O-N 3.11Å
98I98.9Very high98.8Very high31 Ų3125.3 Ų25.316%0.15913%0.126CC..Hα-helixtrans-64-49.1174.1-68174.2000109.9L94 F95 R100 G101 L102 W113 L120 L301L94-I98 HydrophobicContact CD2-CD1 3.43Å; L94-I98 VanDerWaalsContact CD2-CD1 3.43Å; L94-I98 HydrophobicContact CD2-CG1 4.15Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 3.34Å; F95-I98 PolarHBondContact O-N 2.9Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 3.47Å; I98-G101 CarbonylContact O-C 3.51Å; I98-G101 VanDerWaalsContact O-CA 3.31Å; I98-G101 WeakPolarHBondContact O-CA 3.39Å; I98-G101 PolarHBondContact O-N 2.66Å; I98-L102 HydrophobicContact CG2-CD1 4.14Å; I98-L102 HydrophobicContact CG2-CG 4.26Å; I98-L102 WeakPolarHBondContact O-CG 3.19Å; I98-L102 PolarHBondContact O-N 3.45Å; I98-W113 HydrophobicContact CG2-CH2 4.15Å; I98-L120 HydrophobicContact CD1-CD1 4.32Å; I98-L120 HydrophobicContact CD1-CD2 3.88Å; I98-L301 HydrophobicContact CD1-CD1 4.31Å; I98-L301 HydrophobicContact CG2-CD1 4.47Å; I98-L301 HydrophobicContact CG2-CD2 4.18Å
99G98.9Very high98.8Very high9 Ų927.5 Ų27.59%0.09314%0.135CC..Hα-helixtrans-56.1-43.9178.900000112.5F95 L96 G101 L102 Y103 Y325F95-G99 PolarHBondContact O-N 3.15Å; L96-G99 PolarHBondContact O-N 3.26Å; G99-G101 VanDerWaalsContact C-N 3.32Å; G99-G101 PolarHBondContact O-N 3.38Å; G99-L102 PolarHBondContact O-N 3.41Å; G99-Y103 WeakPolarHBondContact O-CB 3.23Å; G99-Y103 PolarHBondContact O-N 2.88Å; G99-Y325 WeakPolarHBondContact O-CE2 3.39Å; G99-Y325 PolarHBondContact O-OH 2.96Å
100R98.9Very high98.7Very high22 Ų2228.9 Ų28.98%0.08315%0.146CC..Hα-helixtrans-55-48.1169.5178.6-76.8-65.1-96.4-6.1111.1W30 W31 L96 H97 I98 L102 Y103 Y104W30-R100 HydrophobicContact CB-CB 4.08Å; W30-R100 HydrophobicContact CB-CG 3.53Å; W31-R100 VanDerWaalsContact CE2-NH1 3.34Å; W31-R100 HydrophobicContact CE3-CG 4.32Å; W31-R100 HydrophobicContact CZ3-CG 4.24Å; L96-R100 WeakPolarHBondContact O-CB 3.33Å; L96-R100 PolarHBondContact O-N 3.25Å; H97-R100 PolarHBondContact CE1-NH2 2.9Å; H97-R100 PolarHBondContact ND1-NH2 3.2Å; H97-R100 PolarHBondContact NE2-NH2 3.1Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 3.47Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 3.43Å; R100-Y103 PolarHBondContact O-N 3.14Å; R100-Y104 HydrophobicContact CG-CD2 3.77Å; R100-Y104 HydrophobicContact CG-CE2 4.14Å; R100-Y104 WeakPolarHBondContact O-CD2 3.43Å; R100-Y104 PolarHBondContact O-N 3.09Å
101G98.8Very high98.6Very high3 Ų332.8 Ų32.83%0.03116%0.164CC..Hα-helixtrans-60.5-39.418000000113.1H97 I98 G99 G105 S106 F107H97-G101 PolarHBondContact O-N 3.44Å; H97-G101 VanDerWaalsContact O-N 3.11Å; I98-G101 CarbonylContact O-C 3.51Å; I98-G101 VanDerWaalsContact O-CA 3.31Å; I98-G101 WeakPolarHBondContact O-CA 3.39Å; I98-G101 PolarHBondContact O-N 2.66Å; G99-G101 VanDerWaalsContact C-N 3.32Å; G99-G101 PolarHBondContact O-N 3.38Å; G101-G105 CarbonylContact O-C 3.52Å; G101-G105 PolarHBondContact O-N 3.21Å; G101-S106 PolarHBondContact O-N 3.48Å; G101-F107 WeakPolarHBondContact O-CD1 3.41Å
102L98.8Very high98.6Very high25 Ų2533.4 Ų33.413%0.13117%0.168CC..Hα-helixtrans-66.7-50.5174.7-63.1179.1000112I98 G99 R100 Y104 G105 F107 W113 L301 I304 Y325I98-L102 HydrophobicContact CG2-CD1 4.14Å; I98-L102 HydrophobicContact CG2-CG 4.26Å; I98-L102 WeakPolarHBondContact O-CG 3.19Å; I98-L102 PolarHBondContact O-N 3.45Å; G99-L102 PolarHBondContact O-N 3.41Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 3.43Å; L102-Y104 PolarHBondContact O-N 2.87Å; L102-G105 PolarHBondContact O-N 3.18Å; L102-F107 HydrophobicContact CD2-CD1 4.28Å; L102-W113 HydrophobicContact CD2-CH2 3.65Å; L102-W113 HydrophobicContact CD2-CZ2 3.92Å; L102-W113 HydrophobicContact CG-CH2 4.17Å; L102-L301 HydrophobicContact CD2-CD2 4.42Å; L102-I304 HydrophobicContact CD2-CD1 3.31Å; L102-I304 HydrophobicContact CD2-CG2 4.07Å; L102-Y325 HydrophobicContact CB-CD2 4.49Å; L102-Y325 HydrophobicContact CB-CE2 4.19Å
103Y98.9Very high98.6Very high34 Ų3431.7 Ų31.713%0.13316%0.158CC..Hα-helixtrans-65.8-42.1-174.9-171.5-89.9000112.7G99 R100 M315 Q322 Y325G99-Y103 WeakPolarHBondContact O-CB 3.23Å; G99-Y103 PolarHBondContact O-N 2.88Å; R100-Y103 PolarHBondContact O-N 3.14Å; Y103-M315 HydrophobicContact CD2-CB 4.27Å; Y103-M315 HydrophobicContact CD2-SD 4.3Å; Y103-M315 HydrophobicContact CE1-CB 4.44Å; Y103-M315 HydrophobicContact CE2-CB 4.19Å; Y103-M315 HydrophobicContact CG-CB 4.46Å; Y103-M315 VanDerWaalsContact O-CB 3.27Å; Y103-M315 WeakPolarHBondContact O-CB 3.36Å; Y103-M315 VanDerWaalsContact O-CG 3.31Å; Y103-M315 WeakPolarHBondContact O-CG 3.33Å; Y103-M315 PolarHBondContact O-N 3.28Å; Y103-Q322 HydrophobicContact CE2-CB 4.47Å; Y103-Q322 HydrophobicContact CE2-CG 3.93Å; Y103-Q322 WeakPolarHBondContact OH-CG 3.35Å; Y103-Q322 PolarHBondContact OH-OE1 3.36Å; Y103-Y325 AromaticContact CD2-CD1 3.5Å; Y103-Y325 HydrophobicContact CD2-CD1 3.5Å; Y103-Y325 HydrophobicContact CD2-CD2 4.05Å; Y103-Y325 AromaticContact CD2-CE1 3.75Å; Y103-Y325 HydrophobicContact CD2-CE1 3.75Å; Y103-Y325 HydrophobicContact CD2-CE2 4.27Å; Y103-Y325 AromaticContact CD2-CG 3.67Å; Y103-Y325 HydrophobicContact CD2-CG 3.67Å; Y103-Y325 HydrophobicContact CE2-CD1 4.05Å; Y103-Y325 HydrophobicContact CE2-CE1 4.47Å; Y103-Y325 HydrophobicContact CE2-CG 4.41Å; Y103-Y325 HydrophobicContact CG-CE1 4.5Å
104Y98.8Very high98.6Very high25 Ų2534.8 Ų34.810%0.09818%0.175CC..THydrogen-bonded Turntrans-94.13.9-176.9-63.6-69.1000113.8W30 W31 R100 L102 S106 N206 P208 S314W30-Y104 HydrophobicContact CB-CE2 4.26Å; W30-Y104 AromaticContact CD1-CE2 3.82Å; W30-Y104 HydrophobicContact CG-CE2 4.19Å; W31-Y104 HydrophobicContact CH2-CD1 4.11Å; W31-Y104 AromaticContact CH2-CD2 3.54Å; W31-Y104 HydrophobicContact CH2-CD2 3.54Å; W31-Y104 HydrophobicContact CH2-CE1 4.5Å; W31-Y104 AromaticContact CH2-CE2 3.96Å; W31-Y104 HydrophobicContact CH2-CE2 3.96Å; W31-Y104 AromaticContact CH2-CG 3.6Å; W31-Y104 HydrophobicContact CH2-CG 3.6Å; W31-Y104 AromaticContact CZ3-CD2 3.65Å; W31-Y104 HydrophobicContact CZ3-CD2 3.65Å; W31-Y104 AromaticContact CZ3-CE2 3.6Å; W31-Y104 HydrophobicContact CZ3-CE2 3.6Å; W31-Y104 HydrophobicContact CZ3-CG 4.13Å; R100-Y104 HydrophobicContact CG-CD2 3.77Å; R100-Y104 HydrophobicContact CG-CE2 4.14Å; R100-Y104 WeakPolarHBondContact O-CD2 3.43Å; R100-Y104 PolarHBondContact O-N 3.09Å; L102-Y104 PolarHBondContact O-N 2.87Å; Y104-S106 VanDerWaalsContact C-N 3.31Å; Y104-S106 PolarHBondContact O-N 2.84Å; Y104-N206 PolarHBondContact O-ND2 3.38Å; Y104-P208 VanDerWaalsContact CD1-CA 3.49Å; Y104-P208 HydrophobicContact CD1-CB 4.21Å; Y104-P208 WeakPolarHBondContact CD1-O 3.48Å; Y104-P208 VanDerWaalsContact CE1-CA 3.49Å; Y104-P208 HydrophobicContact CE1-CB 3.66Å; Y104-P208 HydrophobicContact CE1-CG 4.4Å; Y104-S314 WeakPolarHBondContact CD1-OG 3.26Å
105G98.6Very high98.6Very high0 Ų035.3 Ų35.30%018%0.177CC..THydrogen-bonded Turntrans67.129.717900000113.7G101 L102 F107 L108 Q313G101-G105 CarbonylContact O-C 3.52Å; G101-G105 PolarHBondContact O-N 3.21Å; L102-G105 PolarHBondContact O-N 3.18Å; G105-F107 PolarHBondContact O-N 3.4Å; G105-L108 PolarHBondContact O-N 3.44Å; G105-Q313 PolarHBondContact O-NE2 3.3Å
106S98.6Very high98.6Very high19 Ų1933.3 Ų33.313%0.13318%0.175CC..G310 helixtrans-73.3-13.9178.1-54.20000112.7G101 Y104 L108 Y109 N206G101-S106 PolarHBondContact O-N 3.48Å; Y104-S106 VanDerWaalsContact C-N 3.31Å; Y104-S106 PolarHBondContact O-N 2.84Å; S106-L108 PolarHBondContact O-N 2.89Å; S106-L108 VanDerWaalsContact O-N 3.17Å; S106-Y109 PolarHBondContact O-N 3.46Å; S106-Y109 VanDerWaalsContact O-N 3.14Å; S106-N206 PolarHBondContact OG-ND2 2.8Å
107F98.6Very high98.6Very high11 Ų1130.9 Ų30.95%0.04816%0.162CC..G310 helixtrans-62.5-14.8172.657.1-107000113.5G101 L102 G105 Y109 W113 I304 P305 H308G101-F107 WeakPolarHBondContact O-CD1 3.41Å; L102-F107 HydrophobicContact CD2-CD1 4.28Å; G105-F107 PolarHBondContact O-N 3.4Å; F107-Y109 PolarHBondContact O-N 3.5Å; F107-W113 HydrophobicContact CB-CB 4.43Å; F107-W113 HydrophobicContact CB-CD2 3.33Å; F107-W113 HydrophobicContact CB-CE3 3.62Å; F107-W113 HydrophobicContact CB-CG 3.72Å; F107-W113 HydrophobicContact CB-CH2 4.18Å; F107-W113 HydrophobicContact CB-CZ2 3.93Å; F107-W113 HydrophobicContact CB-CZ3 4.04Å; F107-I304 HydrophobicContact CB-CG2 4.42Å; F107-I304 HydrophobicContact CD1-CG2 3.54Å; F107-I304 HydrophobicContact CD2-CG2 3.88Å; F107-I304 HydrophobicContact CE1-CG2 3.62Å; F107-I304 HydrophobicContact CE2-CG2 3.98Å; F107-I304 HydrophobicContact CG-CG2 3.67Å; F107-I304 HydrophobicContact CZ-CG2 3.85Å; F107-P305 HydrophobicContact CB-CG 4.28Å; F107-P305 HydrophobicContact CD2-CB 4.32Å; F107-P305 HydrophobicContact CD2-CG 4.17Å; F107-P305 WeakPolarHBondContact O-CG 3.48Å; F107-H308 HydrophobicContact CE2-CB 3.82Å; F107-H308 AromaticContact CE2-CG 3.93Å; F107-H308 AromaticContact CE2-ND1 3.82Å; F107-H308 HydrophobicContact CZ-CB 4.3Å; F107-H308 AromaticContact CZ-ND1 3.59Å
108L98.3Very high98.6Very high67 Ų6732.9 Ų32.935%0.35117%0.173SC..G310 helixtrans-66.2-18.3173.5-65.5-178.2000112.8G105 S106 S110 H308 Q313G105-L108 PolarHBondContact O-N 3.44Å; S106-L108 PolarHBondContact O-N 2.89Å; S106-L108 VanDerWaalsContact O-N 3.17Å; L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 2.89Å; L108-H308 HydrophobicContact CD2-CB 4.28Å; L108-Q313 HydrophobicContact CD1-CB 4.15Å; L108-Q313 HydrophobicContact CD1-CG 3.74Å
109Y98.1Very high98.6Very high51 Ų5132.6 Ų32.620%0.217%0.172CC..SBendtrans-80.282.2166-54.8-40.8000109.1S106 F107 E111 T112 W113 T203 N206S106-Y109 PolarHBondContact O-N 3.46Å; S106-Y109 VanDerWaalsContact O-N 3.14Å; F107-Y109 PolarHBondContact O-N 3.5Å; Y109-E111 VanDerWaalsContact C-N 3.34Å; Y109-E111 PolarHBondContact O-N 3.19Å; Y109-T112 PolarHBondContact O-N 3.01Å; Y109-W113 WeakPolarHBondContact O-CB 3.4Å; Y109-W113 PolarHBondContact O-N 3.43Å; Y109-T203 HydrophobicContact CD1-CG2 4.19Å; Y109-T203 HydrophobicContact CE1-CG2 4.47Å; Y109-N206 HydrophobicContact CE2-CB 3.63Å
110S96.7Very high98.6Very high48 Ų4832.6 Ų32.634%0.33617%0.17SC..Hα-helixtrans-58.8-41.2-162.474.50000114L108 W113 N114L108-S110 VanDerWaalsContact C-N 3.29Å; L108-S110 PolarHBondContact O-N 2.89Å; S110-W113 PolarHBondContact O-N 3.03Å; S110-N114 VanDerWaalsContact O-CB 3.28Å; S110-N114 WeakPolarHBondContact O-CB 3.31Å; S110-N114 PolarHBondContact O-N 3.08Å; S110-N114 PolarHBondContact O-ND2 3.04Å
111E98.1Very high98.6Very high100 Ų10034.5 Ų34.547%0.46718%0.181SC..Hα-helixtrans-68.3-50.8-179.1-64.183.5166.200110Y109 W113 N114 I115 F199Y109-E111 VanDerWaalsContact C-N 3.34Å; Y109-E111 PolarHBondContact O-N 3.19Å; E111-W113 VanDerWaalsContact C-N 3.31Å; E111-W113 PolarHBondContact O-N 3.12Å; E111-N114 PolarHBondContact O-N 3.11Å; E111-I115 WeakPolarHBondContact O-CG1 3.45Å; E111-I115 PolarHBondContact O-N 3.01Å; E111-F199 HydrophobicContact CB-CB 4.06Å; E111-F199 HydrophobicContact CB-CD1 3.65Å; E111-F199 HydrophobicContact CB-CD2 4.02Å; E111-F199 HydrophobicContact CB-CE1 4.02Å; E111-F199 HydrophobicContact CB-CE2 4.35Å; E111-F199 HydrophobicContact CB-CG 3.65Å; E111-F199 HydrophobicContact CB-CZ 4.35Å; E111-F199 HydrophobicContact CG-CD1 4.09Å; E111-F199 HydrophobicContact CG-CE1 4.09Å
112T98.7Very high98.6Very high15 Ų1535 Ų359%0.09219%0.185CC..Hα-helixtrans-57.1-45.7174.8-54.90000110.8Y109 G116 H196 F199 L200Y109-T112 PolarHBondContact O-N 3.01Å; T112-G116 PolarHBondContact O-N 3.18Å; T112-H196 WeakPolarHBondContact CG2-CE1 3.47Å; T112-H196 PolarHBondContact O-CE1 3.45Å; T112-H196 PolarHBondContact O-ND1 3.21Å; T112-F199 WeakPolarHBondContact OG1-CB 3.35Å; T112-L200 HydrophobicContact CG2-CB 4.18Å; T112-L200 HydrophobicContact CG2-CD1 4.49Å; T112-L200 PolarHBondContact OG1-N 2.82Å
113W98.8Very high98.6Very high24 Ų2434.2 Ų34.29%0.09118%0.181CC..Hα-helixtrans-63.1-48.4179.4-176-108.1000112.7I98 L102 F107 Y109 S110 E111 G116 I117 L301I98-W113 HydrophobicContact CG2-CH2 4.15Å; L102-W113 HydrophobicContact CD2-CH2 3.65Å; L102-W113 HydrophobicContact CD2-CZ2 3.92Å; L102-W113 HydrophobicContact CG-CH2 4.17Å; F107-W113 HydrophobicContact CB-CB 4.43Å; F107-W113 HydrophobicContact CB-CD2 3.33Å; F107-W113 HydrophobicContact CB-CE3 3.62Å; F107-W113 HydrophobicContact CB-CG 3.72Å; F107-W113 HydrophobicContact CB-CH2 4.18Å; F107-W113 HydrophobicContact CB-CZ2 3.93Å; F107-W113 HydrophobicContact CB-CZ3 4.04Å; Y109-W113 WeakPolarHBondContact O-CB 3.4Å; Y109-W113 PolarHBondContact O-N 3.43Å; S110-W113 PolarHBondContact O-N 3.03Å; E111-W113 VanDerWaalsContact C-N 3.31Å; E111-W113 PolarHBondContact O-N 3.12Å; W113-G116 CarbonylContact O-C 3.59Å; W113-G116 VanDerWaalsContact O-CA 3.27Å; W113-G116 WeakPolarHBondContact O-CA 3.27Å; W113-G116 PolarHBondContact O-N 3.11Å; W113-I117 PolarHBondContact O-N 3.26Å; W113-L301 HydrophobicContact CH2-CD2 4.47Å; W113-L301 HydrophobicContact CZ2-CB 4.15Å; W113-L301 HydrophobicContact CZ2-CD2 4.04Å; W113-L301 PolarHBondContact NE1-O 2.97Å
114N98.6Very high98.6Very high69 Ų6933.4 Ų33.437%0.36918%0.179SC..Hα-helixtrans-66.2-40.3-179.2-72.1-32.2000112S110 E111 G116 I117 I118S110-N114 VanDerWaalsContact O-CB 3.28Å; S110-N114 WeakPolarHBondContact O-CB 3.31Å; S110-N114 PolarHBondContact O-N 3.08Å; S110-N114 PolarHBondContact O-ND2 3.04Å; E111-N114 PolarHBondContact O-N 3.11Å; N114-G116 PolarHBondContact O-N 3.14Å; N114-I117 PolarHBondContact O-N 3.23Å; N114-I118 WeakPolarHBondContact O-CG1 3.29Å; N114-I118 PolarHBondContact O-N 2.77Å; N114-I118 VanDerWaalsContact O-N 3.09Å
115I98.8Very high98.6Very high22 Ų2234.1 Ų34.111%0.11319%0.19CC..Hα-helixtrans-62.4-36169.7-62.9-58.9000110.6E111 I117 I118 L119 L195 H196 F199E111-I115 WeakPolarHBondContact O-CG1 3.45Å; E111-I115 PolarHBondContact O-N 3.01Å; I115-I117 VanDerWaalsContact C-N 3.33Å; I115-I117 PolarHBondContact O-N 3.41Å; I115-I118 HydrophobicContact CD1-CD1 4.23Å; I115-I118 PolarHBondContact O-N 3.02Å; I115-L119 HydrophobicContact CG2-CD1 4.18Å; I115-L119 HydrophobicContact CG2-CG 4.43Å; I115-L119 WeakPolarHBondContact O-CB 3.33Å; I115-L119 WeakPolarHBondContact O-CG 3.41Å; I115-L119 PolarHBondContact O-N 3.19Å; I115-L195 HydrophobicContact CD1-CD2 3.78Å; I115-L195 HydrophobicContact CD1-CG 4.38Å; I115-L195 HydrophobicContact CG1-CD2 4.37Å; I115-L195 HydrophobicContact CG1-CG 4.45Å; I115-H196 HydrophobicContact CB-CB 4.47Å; I115-H196 HydrophobicContact CG2-CB 3.68Å; I115-F199 HydrophobicContact CG1-CD2 4.04Å; I115-F199 HydrophobicContact CG1-CE2 4.12Å
116G98.8Very high98.6Very high23 Ų2334.8 Ų34.824%0.23719%0.194CC..Hα-helixtrans-59.2-39.6172.900000113.5T112 W113 N114 L119 L120T112-G116 PolarHBondContact O-N 3.18Å; W113-G116 CarbonylContact O-C 3.59Å; W113-G116 VanDerWaalsContact O-CA 3.27Å; W113-G116 WeakPolarHBondContact O-CA 3.27Å; W113-G116 PolarHBondContact O-N 3.11Å; N114-G116 PolarHBondContact O-N 3.14Å; G116-L119 WeakPolarHBondContact O-CB 3.28Å; G116-L119 PolarHBondContact O-N 3.44Å; G116-L120 PolarHBondContact O-N 3.06Å
117I98.8Very high98.6Very high12 Ų1234.5 Ų34.56%0.06219%0.193CC..Hα-helixtrans-66-42.1174.3-62.8168.3000110.7W113 N114 I115 L119 L120 L121 L301 A302W113-I117 PolarHBondContact O-N 3.26Å; N114-I117 PolarHBondContact O-N 3.23Å; I115-I117 VanDerWaalsContact C-N 3.33Å; I115-I117 PolarHBondContact O-N 3.41Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 3.48Å; I117-L120 WeakPolarHBondContact O-CB 3.36Å; I117-L120 PolarHBondContact O-N 3.05Å; I117-L121 HydrophobicContact CG2-CD1 4.24Å; I117-L121 WeakPolarHBondContact O-CG 3.33Å; I117-L121 PolarHBondContact O-N 2.87Å; I117-L301 HydrophobicContact CD1-CB 3.85Å; I117-L301 HydrophobicContact CG1-CB 3.99Å; I117-A302 HydrophobicContact CD1-CB 3.87Å
118I98.8Very high98.6Very high81 Ų8135.9 Ų35.942%0.41520%0.199SC..Hα-helixtrans-63.4-41.3176.1-62.6170.5000110.5N114 I115 L121 A122 L192N114-I118 WeakPolarHBondContact O-CG1 3.29Å; N114-I118 PolarHBondContact O-N 2.77Å; N114-I118 VanDerWaalsContact O-N 3.09Å; I115-I118 HydrophobicContact CD1-CD1 4.23Å; I115-I118 PolarHBondContact O-N 3.02Å; I118-L121 PolarHBondContact O-N 2.94Å; I118-A122 WeakPolarHBondContact O-CB 3.27Å; I118-A122 PolarHBondContact O-N 3.43Å; I118-L192 HydrophobicContact CG2-CD1 3.87Å; I118-L192 HydrophobicContact CG2-CD2 4.26Å
119L98.9Very high98.6Very high24 Ų2433.6 Ų33.613%0.12619%0.187CC..Hα-helixtrans-60.7-43.5174.1-80.1167.5000112.1I115 G116 I117 A122 T123 I189 L192 A193 H196I115-L119 HydrophobicContact CG2-CD1 4.18Å; I115-L119 HydrophobicContact CG2-CG 4.43Å; I115-L119 WeakPolarHBondContact O-CB 3.33Å; I115-L119 WeakPolarHBondContact O-CG 3.41Å; I115-L119 PolarHBondContact O-N 3.19Å; G116-L119 WeakPolarHBondContact O-CB 3.28Å; G116-L119 PolarHBondContact O-N 3.44Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 3.48Å; L119-A122 PolarHBondContact O-N 2.99Å; L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 PolarHBondContact O-N 3.39Å; L119-T123 PolarHBondContact O-OG1 3.27Å; L119-I189 HydrophobicContact CD2-CG2 3.83Å; L119-L192 HydrophobicContact CD2-CB 3.54Å; L119-L192 HydrophobicContact CD2-CD1 4.48Å; L119-L192 HydrophobicContact CG-CB 4.05Å; L119-A193 HydrophobicContact CD2-CB 4.4Å; L119-H196 HydrophobicContact CD1-CB 3.79Å
120L98.8Very high98.6Very high9 Ų931.9 Ų31.95%0.04719%0.185CC..Hα-helixtrans-57.6-52.6174166.366.5000110.5L94 I98 G116 I117 A122 T123 M124 I298 L301L94-L120 HydrophobicContact CD1-CD1 4.33Å; L94-L120 HydrophobicContact CD2-CB 4.29Å; L94-L120 HydrophobicContact CD2-CD1 3.33Å; L94-L120 HydrophobicContact CD2-CG 4.3Å; L94-L120 HydrophobicContact CG-CD1 4.49Å; I98-L120 HydrophobicContact CD1-CD1 4.32Å; I98-L120 HydrophobicContact CD1-CD2 3.88Å; G116-L120 PolarHBondContact O-N 3.06Å; I117-L120 WeakPolarHBondContact O-CB 3.36Å; I117-L120 PolarHBondContact O-N 3.05Å; L120-A122 PolarHBondContact O-N 3.05Å; L120-T123 PolarHBondContact O-N 3.38Å; L120-M124 HydrophobicContact CD1-CG 3.96Å; L120-M124 HydrophobicContact CD1-SD 3.68Å; L120-M124 HydrophobicContact CG-CG 4.48Å; L120-M124 HydrophobicContact CG-SD 3.87Å; L120-M124 WeakPolarHBondContact O-CB 3.28Å; L120-M124 VanDerWaalsContact O-CG 3.25Å; L120-M124 WeakPolarHBondContact O-CG 2.98Å; L120-M124 PolarHBondContact O-N 3.4Å; L120-I298 HydrophobicContact CD2-CG2 3.75Å; L120-I298 HydrophobicContact CG-CG2 4.43Å; L120-L301 HydrophobicContact CD2-CD1 3.72Å
121L98.8Very high98.7Very high62 Ų6231.4 Ų31.433%0.32518%0.176SC..Hα-helixtrans-61.4-42.7-179.2-70.9170.1000112.3I117 I118 M124 A125 I298 L299I117-L121 HydrophobicContact CG2-CD1 4.24Å; I117-L121 WeakPolarHBondContact O-CG 3.33Å; I117-L121 PolarHBondContact O-N 2.87Å; I118-L121 PolarHBondContact O-N 2.94Å; L121-M124 PolarHBondContact O-N 3.48Å; L121-A125 WeakPolarHBondContact O-CB 3.47Å; L121-A125 PolarHBondContact O-N 3.09Å; L121-I298 HydrophobicContact CD2-CG2 3.78Å; L121-I298 HydrophobicContact CG-CG2 4.44Å; L121-L299 HydrophobicContact CD1-CD2 4.17Å
122A98.9Very high98.8Very high13 Ų1326.7 Ų26.711%0.10715%0.154CC..Hα-helixtrans-64.3-40.5176.500000111.8I118 L119 L120 A125 T126 I189 L192I118-A122 WeakPolarHBondContact O-CB 3.27Å; I118-A122 PolarHBondContact O-N 3.43Å; L119-A122 PolarHBondContact O-N 2.99Å; L120-A122 PolarHBondContact O-N 3.05Å; A122-A125 PolarHBondContact O-N 3.3Å; A122-T126 WeakPolarHBondContact O-CB 3.49Å; A122-T126 PolarHBondContact O-N 3.45Å; A122-T126 PolarHBondContact O-OG1 2.84Å; A122-I189 HydrophobicContact CB-CD1 4.14Å; A122-I189 HydrophobicContact CB-CG1 3.73Å; A122-L192 HydrophobicContact CB-CD1 4.5Å
123T98.9Very high98.8Very high9 Ų926.7 Ų26.76%0.05515%0.153CC..Hα-helixtrans-66.7-41.8176.7-54.30000111.2F90 F91 L94 L119 L120 T126 A127F90-T123 HydrophobicContact CD1-CG2 4.05Å; F90-T123 HydrophobicContact CE1-CG2 3.91Å; F90-T123 HydrophobicContact CG-CG2 4.47Å; F90-T123 HydrophobicContact CZ-CG2 4.19Å; F91-T123 HydrophobicContact CE2-CG2 4.37Å; F91-T123 HydrophobicContact CZ-CG2 4.08Å; L94-T123 HydrophobicContact CD1-CG2 4.04Å; L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 PolarHBondContact O-N 3.39Å; L119-T123 PolarHBondContact O-OG1 3.27Å; L120-T123 PolarHBondContact O-N 3.38Å; T123-T126 PolarHBondContact O-N 3.26Å; T123-A127 WeakPolarHBondContact O-CB 3.45Å; T123-A127 PolarHBondContact O-N 3.3Å
124M98.8Very high98.7Very high17 Ų1727 Ų278%0.08416%0.158CC..Hα-helixtrans-58.6-49.4172.7-72177.187.900111.8F91 L120 L121 T126 A127 F128 F274 I298F91-M124 HydrophobicContact CE1-CG 3.85Å; F91-M124 HydrophobicContact CZ-CG 4.19Å; L120-M124 HydrophobicContact CD1-CG 3.96Å; L120-M124 HydrophobicContact CD1-SD 3.68Å; L120-M124 HydrophobicContact CG-CG 4.48Å; L120-M124 HydrophobicContact CG-SD 3.87Å; L120-M124 WeakPolarHBondContact O-CB 3.28Å; L120-M124 VanDerWaalsContact O-CG 3.25Å; L120-M124 WeakPolarHBondContact O-CG 2.98Å; L120-M124 PolarHBondContact O-N 3.4Å; L121-M124 PolarHBondContact O-N 3.48Å; M124-T126 VanDerWaalsContact C-N 3.34Å; M124-T126 PolarHBondContact O-N 3.44Å; M124-A127 PolarHBondContact O-N 2.88Å; M124-F128 WeakPolarHBondContact O-CB 3.47Å; M124-F128 PolarHBondContact O-N 2.85Å; M124-F274 HydrophobicContact CB-CE1 3.81Å; M124-F274 HydrophobicContact CB-CZ 4.22Å; M124-F274 HydrophobicContact CE-CD1 3.64Å; M124-F274 HydrophobicContact CE-CE1 3.49Å; M124-F274 VanDerWaalsContact CE-CE1 3.49Å; M124-F274 HydrophobicContact CG-CE1 3.82Å; M124-F274 WeakPolarHBondContact O-CZ 3.45Å; M124-I298 HydrophobicContact CE-CD1 3.41Å; M124-I298 VanDerWaalsContact CE-CD1 3.41Å; M124-I298 HydrophobicContact CE-CG1 4.15Å; M124-I298 HydrophobicContact SD-CD1 3.85Å; M124-I298 HydrophobicContact SD-CG1 4.43Å; M124-I298 HydrophobicContact SD-CG2 4.39Å
125A98.7Very high98.7Very high40 Ų4024.3 Ų24.333%0.33114%0.143SC..Hα-helixtrans-60.3-44.517700000111.7L121 A122 F128 M129 L185L121-A125 WeakPolarHBondContact O-CB 3.47Å; L121-A125 PolarHBondContact O-N 3.09Å; A122-A125 PolarHBondContact O-N 3.3Å; A125-F128 PolarHBondContact O-N 2.85Å; A125-M129 HydrophobicContact CB-CE 4.18Å; A125-M129 WeakPolarHBondContact O-CE 3.4Å; A125-M129 PolarHBondContact O-N 3.2Å; A125-M129 VanDerWaalsContact O-N 3.07Å; A125-L185 HydrophobicContact CB-CD1 4.25Å
126T98.9Very high98.7Very high14 Ų1423.2 Ų23.29%0.08614%0.137CC..Hα-helixtrans-60.1-49.1178.7-56.50000111.3A122 T123 M124 M129 G130 H182 L185 P186 I189A122-T126 WeakPolarHBondContact O-CB 3.49Å; A122-T126 PolarHBondContact O-N 3.45Å; A122-T126 PolarHBondContact O-OG1 2.84Å; T123-T126 PolarHBondContact O-N 3.26Å; M124-T126 VanDerWaalsContact C-N 3.34Å; M124-T126 PolarHBondContact O-N 3.44Å; T126-M129 PolarHBondContact O-N 3.17Å; T126-G130 PolarHBondContact O-N 3.29Å; T126-H182 PolarHBondContact O-CE1 3.17Å; T126-H182 PolarHBondContact O-ND1 3.14Å; T126-L185 HydrophobicContact CG2-CB 4.47Å; T126-L185 WeakPolarHBondContact OG1-CB 3.26Å; T126-P186 HydrophobicContact CG2-CG 3.89Å; T126-I189 WeakPolarHBondContact OG1-CD1 3.4Å
127A98.8Very high98.7Very high13 Ų1322.7 Ų22.711%0.10713%0.129CC..Hα-helixtrans-67.1-41.2-178.600000112.5F91 T123 M124 M129 G130 Y131 Y273F91-A127 HydrophobicContact CE2-CB 3.49Å; F91-A127 VanDerWaalsContact CE2-CB 3.49Å; F91-A127 HydrophobicContact CZ-CB 3.86Å; T123-A127 WeakPolarHBondContact O-CB 3.45Å; T123-A127 PolarHBondContact O-N 3.3Å; M124-A127 PolarHBondContact O-N 2.88Å; A127-M129 PolarHBondContact O-N 2.91Å; A127-G130 PolarHBondContact O-N 2.93Å; A127-Y131 WeakPolarHBondContact O-CB 3.49Å; A127-Y131 PolarHBondContact O-N 2.98Å; A127-Y273 HydrophobicContact CB-CE2 3.98Å
128F98.7Very high98.6Very high41 Ų4122.2 Ų22.218%0.1813%0.126CC..Hα-helixtrans-56.5-51.9174.2169.5-104.1000111.3M124 A125 G130 Y131 V132 I146 T147 F178 F274M124-F128 WeakPolarHBondContact O-CB 3.47Å; M124-F128 PolarHBondContact O-N 2.85Å; A125-F128 PolarHBondContact O-N 2.85Å; F128-G130 VanDerWaalsContact C-N 3.34Å; F128-G130 PolarHBondContact O-N 3.21Å; F128-Y131 PolarHBondContact O-N 3.27Å; F128-V132 WeakPolarHBondContact O-CG2 3.37Å; F128-V132 PolarHBondContact O-N 2.66Å; F128-I146 HydrophobicContact CD2-CG2 4.38Å; F128-I146 HydrophobicContact CE2-CB 3.75Å; F128-I146 HydrophobicContact CE2-CG1 4.07Å; F128-I146 HydrophobicContact CE2-CG2 3.73Å; F128-I146 HydrophobicContact CZ-CB 3.97Å; F128-I146 HydrophobicContact CZ-CG2 3.88Å; F128-T147 HydrophobicContact CE1-CG2 4.27Å; F128-T147 HydrophobicContact CZ-CG2 4.14Å; F128-F178 AromaticContact CE1-CE2 3.89Å; F128-F178 HydrophobicContact CE1-CE2 3.89Å; F128-F178 HydrophobicContact CE1-CZ 4.18Å; F128-F178 HydrophobicContact CZ-CE2 4.45Å; F128-F274 HydrophobicContact CB-CE2 4.25Å; F128-F274 HydrophobicContact CB-CZ 4.21Å
129M98.6Very high98.5Very high19 Ų1918.4 Ų18.49%0.09411%0.106CC..Hα-helixtrans-66-37.3179.5-71.2-179.3-76.700112.4A125 T126 A127 Y131 V132 L133 F178 F181 H182 L185A125-M129 HydrophobicContact CB-CE 4.18Å; A125-M129 WeakPolarHBondContact O-CE 3.4Å; A125-M129 PolarHBondContact O-N 3.2Å; A125-M129 VanDerWaalsContact O-N 3.07Å; T126-M129 PolarHBondContact O-N 3.17Å; A127-M129 PolarHBondContact O-N 2.91Å; M129-Y131 VanDerWaalsContact C-N 3.28Å; M129-Y131 PolarHBondContact O-N 3.34Å; M129-V132 WeakPolarHBondContact O-CB 3.35Å; M129-V132 PolarHBondContact O-N 3.38Å; M129-V132 VanDerWaalsContact O-N 3.11Å; M129-L133 WeakPolarHBondContact O-CG 3.3Å; M129-F178 HydrophobicContact CB-CB 4.26Å; M129-F178 HydrophobicContact CB-CD2 4.4Å; M129-F178 HydrophobicContact CB-CG 4.34Å; M129-F178 HydrophobicContact CG-CB 4.3Å; M129-F178 HydrophobicContact CG-CD1 4.16Å; M129-F178 HydrophobicContact CG-CD2 4Å; M129-F178 HydrophobicContact CG-CE2 4.36Å; M129-F178 HydrophobicContact CG-CG 3.91Å; M129-F178 HydrophobicContact SD-CD1 4.12Å; M129-F178 HydrophobicContact SD-CG 4.34Å; M129-F181 HydrophobicContact CE-CB 3.87Å; M129-F181 HydrophobicContact SD-CB 3.45Å; M129-F181 WeakPolarHBondContact SD-CB 3.45Å; M129-F181 HydrophobicContact SD-CD2 4.5Å; M129-F181 HydrophobicContact SD-CG 4.31Å; M129-H182 HydrophobicContact CB-CB 4.09Å; M129-L185 HydrophobicContact CE-CD1 3.23Å
130G98.6Very high98.5Very high15 Ų1517.7 Ų17.716%0.15510%0.102CC..Hα-helixtrans-60.1-39.1175.100000112.5T126 A127 F128 V132 L133 P134 H182T126-G130 PolarHBondContact O-N 3.29Å; A127-G130 PolarHBondContact O-N 2.93Å; F128-G130 VanDerWaalsContact C-N 3.34Å; F128-G130 PolarHBondContact O-N 3.21Å; G130-V132 PolarHBondContact O-N 2.94Å; G130-L133 WeakPolarHBondContact O-CB 3.37Å; G130-L133 WeakPolarHBondContact O-CG 3.37Å; G130-L133 PolarHBondContact O-N 3.18Å; G130-P134 WeakPolarHBondContact O-CD 3.5Å; G130-H182 WeakPolarHBondContact CA-CE1 3.46Å; G130-H182 VanDerWaalsContact CA-ND1 3.26Å; G130-H182 WeakPolarHBondContact CA-ND1 3.42Å; G130-H182 PolarHBondContact N-ND1 2.76Å
131Y98.6Very high98.5Very high38 Ų3819 Ų1915%0.14911%0.107CC..Hα-helixtrans-68.5-18.6177.3-168.9-104.6000113.5A127 F128 M129 P134 M138 S139 E271A127-Y131 WeakPolarHBondContact O-CB 3.49Å; A127-Y131 PolarHBondContact O-N 2.98Å; F128-Y131 PolarHBondContact O-N 3.27Å; M129-Y131 VanDerWaalsContact C-N 3.28Å; M129-Y131 PolarHBondContact O-N 3.34Å; Y131-P134 WeakPolarHBondContact O-CD 3.45Å; Y131-M138 HydrophobicContact CE1-CB 4.14Å; Y131-S139 VanDerWaalsContact O-CB 3.27Å; Y131-S139 WeakPolarHBondContact O-CB 3.34Å; Y131-S139 PolarHBondContact O-OG 3.45Å; Y131-E271 HydrophobicContact CD1-CG 4.21Å; Y131-E271 HydrophobicContact CD2-CG 3.45Å; Y131-E271 VanDerWaalsContact CD2-CG 3.45Å; Y131-E271 HydrophobicContact CE1-CG 4.16Å; Y131-E271 HydrophobicContact CE2-CG 3.38Å; Y131-E271 WeakPolarHBondContact CE2-OE1 3.17Å; Y131-E271 HydrophobicContact CG-CG 3.85Å; Y131-E271 PolarHBondContact OH-OE1 3.28Å
132V98.6Very high98.3Very high1 Ų116.5 Ų16.51%0.00610%0.096CC..Hα-helixtrans-78.8-27.8175.1-177.60000111.8F128 M129 G130 P134 W135 A143 L175 F178F128-V132 WeakPolarHBondContact O-CG2 3.37Å; F128-V132 PolarHBondContact O-N 2.66Å; M129-V132 WeakPolarHBondContact O-CB 3.35Å; M129-V132 PolarHBondContact O-N 3.38Å; M129-V132 VanDerWaalsContact O-N 3.11Å; G130-V132 PolarHBondContact O-N 2.94Å; V132-P134 VanDerWaalsContact C-CD 3.49Å; V132-W135 HydrophobicContact CG1-CE3 4.17Å; V132-W135 HydrophobicContact CG1-CZ3 3.97Å; V132-W135 PolarHBondContact O-N 3.37Å; V132-A143 HydrophobicContact CG1-CB 4.03Å; V132-A143 HydrophobicContact CG2-CB 3.75Å; V132-L175 HydrophobicContact CG1-CD1 4.39Å; V132-F178 HydrophobicContact CB-CD2 3.92Å; V132-F178 HydrophobicContact CG1-CD2 3.96Å; V132-F178 HydrophobicContact CG1-CE2 4.5Å; V132-F178 HydrophobicContact CG2-CD2 3.87Å; V132-F178 HydrophobicContact CG2-CE2 4.03Å
133L98.8Very high98.2Very high15 Ų1515.9 Ų15.98%0.0799%0.091CC..THydrogen-bonded Turntrans-60.1-34.5-171.8-53.8-175000115.1Y55 M129 G130 W135 L175 F178 F179 H182Y55-L133 HydrophobicContact CE1-CB 4.44Å; Y55-L133 HydrophobicContact CE2-CB 4.43Å; Y55-L133 WeakPolarHBondContact CE2-O 3.27Å; Y55-L133 PolarHBondContact OH-O 3.41Å; M129-L133 WeakPolarHBondContact O-CG 3.3Å; G130-L133 WeakPolarHBondContact O-CB 3.37Å; G130-L133 WeakPolarHBondContact O-CG 3.37Å; G130-L133 PolarHBondContact O-N 3.18Å; L133-W135 PolarHBondContact O-N 2.9Å; L133-W135 VanDerWaalsContact O-N 3.15Å; L133-L175 HydrophobicContact CD2-CD1 3.99Å; L133-F178 HydrophobicContact CD2-CB 4.49Å; L133-F179 HydrophobicContact CD1-CD2 4.04Å; L133-F179 HydrophobicContact CD2-CB 3.9Å; L133-H182 HydrophobicContact CD1-CB 4.31Å
134P98.4Very high98.2Very high29 Ų2916.9 Ų16.919%0.18810%0.097CC..THydrogen-bonded Turntrans-63.3-18175.4-2535.7000115.1F63 I66 G130 Y131 V132 G136F63-P134 WeakPolarHBondContact CA-O 3.3Å; F63-P134 WeakPolarHBondContact CD2-O 3.48Å; I66-P134 HydrophobicContact CG1-CB 4.41Å; G130-P134 WeakPolarHBondContact O-CD 3.5Å; Y131-P134 WeakPolarHBondContact O-CD 3.45Å; V132-P134 VanDerWaalsContact C-CD 3.49Å; P134-G136 PolarHBondContact O-N 3.31Å
135W98.5Very high98.1Very high13 Ų1318.8 Ų18.85%0.04911%0.11CC..  trans56.235.3177.5-150.7-111.2000114.3A59 A62 F63 V132 L133 F140 V170 L175 A259A59-W135 HydrophobicContact CB-CZ2 3.73Å; A62-W135 HydrophobicContact CB-CB 3.84Å; A62-W135 HydrophobicContact CB-CG 4.36Å; F63-W135 HydrophobicContact CB-CB 4.45Å; V132-W135 HydrophobicContact CG1-CE3 4.17Å; V132-W135 HydrophobicContact CG1-CZ3 3.97Å; V132-W135 PolarHBondContact O-N 3.37Å; L133-W135 PolarHBondContact O-N 2.9Å; L133-W135 VanDerWaalsContact O-N 3.15Å; W135-F140 HydrophobicContact CH2-CD2 4.11Å; W135-F140 AromaticContact CZ2-CD2 3.95Å; W135-F140 HydrophobicContact CZ2-CD2 3.95Å; W135-F140 HydrophobicContact CZ2-CE2 4.34Å; W135-V170 HydrophobicContact CH2-CG1 3.71Å; W135-V170 HydrophobicContact CZ3-CG1 4.04Å; W135-L175 HydrophobicContact CD2-CD2 3.84Å; W135-L175 HydrophobicContact CE3-CB 4.25Å; W135-L175 HydrophobicContact CE3-CD1 3.64Å; W135-L175 HydrophobicContact CE3-CD2 3.67Å; W135-L175 HydrophobicContact CE3-CG 4.06Å; W135-L175 HydrophobicContact CG-CD2 4.26Å; W135-L175 HydrophobicContact CH2-CB 4.14Å; W135-L175 HydrophobicContact CZ3-CB 3.79Å; W135-L175 HydrophobicContact CZ3-CD1 3.84Å; W135-L175 HydrophobicContact CZ3-CD2 4.04Å; W135-L175 HydrophobicContact CZ3-CG 4.1Å; W135-A259 HydrophobicContact CG-CB 4.42Å; W135-A259 WeakPolarHBondContact O-CB 3.25Å; W135-A259 PolarHBondContact O-N 2.87Å; W135-A259 VanDerWaalsContact O-N 3.11Å
136G98.3Very high97.9Very high0 Ų019.1 Ų19.10%011%0.106CC..BIsolated β-bridgetrans-85.2-179.7169.100000112.7P134 M138 S139 F140 N255 T257P134-G136 PolarHBondContact O-N 3.31Å; G136-M138 PolarHBondContact O-N 2.83Å; G136-S139 WeakPolarHBondContact O-CB 3.35Å; G136-S139 PolarHBondContact O-N 2.98Å; G136-F140 PolarHBondContact O-N 3.43Å; G136-N255 VanDerWaalsContact C-OD1 3.3Å; G136-N255 VanDerWaalsContact CA-OD1 3.26Å; G136-N255 WeakPolarHBondContact CA-OD1 3.44Å; G136-T257 CarbonylContact C-O 3.54Å; G136-T257 WeakPolarHBondContact CA-O 3.36Å
137Q98.1Very high97.8Very high12 Ų1218.9 Ų18.96%0.05610%0.104CC..Hα-helixtrans-58.8-48.6-179.2-75.2-76.460.500113F140 W141 D254 T257 N263 P265Q137-F140 PolarHBondContact O-N 3.22Å; Q137-W141 WeakPolarHBondContact O-CB 3.2Å; Q137-W141 VanDerWaalsContact O-CD1 3.22Å; Q137-W141 PolarHBondContact O-N 3.26Å; Q137-D254 HydrophobicContact CB-CB 4.44Å; Q137-T257 WeakPolarHBondContact CG-OG1 3.45Å; Q137-T257 PolarHBondContact N-O 3.48Å; Q137-N263 PolarHBondContact NE2-O 3.48Å; Q137-P265 HydrophobicContact CB-CG 3.86Å; Q137-P265 HydrophobicContact CG-CG 4.5Å
138M97.2Very high97.8Very high2 Ų221.2 Ų21.21%0.0112%0.115CC..Hα-helixtrans-68.5-36.7179.8-70.6-62.6160.700112.1Y131 G136 G142 D252 D254 N255 P265Y131-M138 HydrophobicContact CE1-CB 4.14Å; G136-M138 PolarHBondContact O-N 2.83Å; M138-G142 WeakPolarHBondContact O-CA 3.44Å; M138-G142 PolarHBondContact O-N 3.25Å; M138-D252 HydrophobicContact CG-CB 4.1Å; M138-D254 HydrophobicContact CE-CB 3.52Å; M138-D254 WeakPolarHBondContact CE-OD2 3.22Å; M138-D254 HydrophobicContact CG-CB 3.81Å; M138-N255 HydrophobicContact CB-CB 4.17Å; M138-N255 PolarHBondContact N-OD1 3.38Å; M138-P265 HydrophobicContact CE-CB 3.43Å; M138-P265 VanDerWaalsContact CE-CB 3.43Å; M138-P265 HydrophobicContact CE-CG 3.93Å
139S97.5Very high97.6Very high0 Ų020.4 Ų20.40%011%0.112CC..Hα-helixtrans-55.3-54.2171.8-660000111.9Y131 G136 A143 N255Y131-S139 VanDerWaalsContact O-CB 3.27Å; Y131-S139 WeakPolarHBondContact O-CB 3.34Å; Y131-S139 PolarHBondContact O-OG 3.45Å; G136-S139 WeakPolarHBondContact O-CB 3.35Å; G136-S139 PolarHBondContact O-N 2.98Å; S139-A143 VanDerWaalsContact O-CB 3.31Å; S139-A143 WeakPolarHBondContact O-CB 3.39Å; S139-A143 PolarHBondContact O-N 2.56Å; S139-N255 PolarHBondContact N-OD1 2.8Å; S139-N255 PolarHBondContact OG-ND2 3.04Å; S139-N255 PolarHBondContact OG-OD1 3.16Å
140F98.1Very high97.4Very high10 Ų1022.1 Ų22.14%0.04412%0.121CC..Hα-helixtrans-68.7-49.9-175.5175.4-91000112.7W135 G136 Q137 A143 T144 V170 A259 P261W135-F140 HydrophobicContact CH2-CD2 4.11Å; W135-F140 AromaticContact CZ2-CD2 3.95Å; W135-F140 HydrophobicContact CZ2-CD2 3.95Å; W135-F140 HydrophobicContact CZ2-CE2 4.34Å; G136-F140 PolarHBondContact O-N 3.43Å; Q137-F140 PolarHBondContact O-N 3.22Å; F140-A143 PolarHBondContact O-N 2.91Å; F140-T144 WeakPolarHBondContact O-CB 3.43Å; F140-T144 PolarHBondContact O-N 2.87Å; F140-T144 PolarHBondContact O-OG1 3.11Å; F140-V170 HydrophobicContact CD2-CG1 4.1Å; F140-V170 HydrophobicContact CE2-CB 4.12Å; F140-V170 HydrophobicContact CE2-CG1 4.13Å; F140-V170 VanDerWaalsContact CE2-O 3.3Å; F140-V170 WeakPolarHBondContact CE2-O 3.35Å; F140-A259 HydrophobicContact CB-CB 3.52Å; F140-A259 HydrophobicContact CD2-CB 4.26Å; F140-A259 HydrophobicContact CG-CB 3.93Å; F140-P261 HydrophobicContact CE1-CB 4.11Å; F140-P261 HydrophobicContact CE1-CG 4.26Å; F140-P261 HydrophobicContact CE2-CG 4.22Å; F140-P261 HydrophobicContact CZ-CB 3.86Å; F140-P261 HydrophobicContact CZ-CG 3.79Å
141W98.3Very high97.3Very high35 Ų3522.9 Ų22.913%0.13312%0.124CC..Hα-helixtrans-72.1-35.3-177.6-74.2106000112Q137 T144 V145 N260 P261 N263 T264 P265 I268Q137-W141 WeakPolarHBondContact O-CB 3.2Å; Q137-W141 VanDerWaalsContact O-CD1 3.22Å; Q137-W141 PolarHBondContact O-N 3.26Å; W141-T144 PolarHBondContact O-N 3.34Å; W141-V145 WeakPolarHBondContact O-CB 3.48Å; W141-V145 WeakPolarHBondContact O-CG2 3.46Å; W141-V145 PolarHBondContact O-N 2.75Å; W141-N260 PolarHBondContact NE1-O 2.91Å; W141-P261 WeakPolarHBondContact CH2-O 3.24Å; W141-P261 WeakPolarHBondContact CZ2-O 3.24Å; W141-N263 PolarHBondContact NE1-O 3.39Å; W141-T264 HydrophobicContact CD2-CG2 4.25Å; W141-T264 HydrophobicContact CE3-CG2 4.25Å; W141-T264 VanDerWaalsContact CH2-OG1 3.3Å; W141-T264 WeakPolarHBondContact CH2-OG1 3.15Å; W141-T264 WeakPolarHBondContact CZ2-OG1 3.36Å; W141-T264 HydrophobicContact CZ3-CG2 4.4Å; W141-P265 HydrophobicContact CG-CG 4.39Å; W141-I268 HydrophobicContact CB-CD1 3.71Å; W141-I268 HydrophobicContact CB-CG1 3.89Å; W141-I268 HydrophobicContact CB-CG2 4.13Å; W141-I268 HydrophobicContact CD2-CD1 4.25Å; W141-I268 HydrophobicContact CE3-CD1 4.2Å; W141-I268 HydrophobicContact CG-CD1 4.09Å; W141-I268 HydrophobicContact CG-CG1 4.48Å
142G96.1Very high97.2Very high10 Ų1021.8 Ų21.810%0.10312%0.123CC..Hα-helixtrans-59.4-48170.100000111.6M138 T144 V145 I146M138-G142 WeakPolarHBondContact O-CA 3.44Å; M138-G142 PolarHBondContact O-N 3.25Å; G142-T144 VanDerWaalsContact C-N 3.35Å; G142-T144 PolarHBondContact O-N 3.13Å; G142-V145 PolarHBondContact O-N 3.09Å; G142-I146 WeakPolarHBondContact O-CB 3.36Å; G142-I146 VanDerWaalsContact O-CG1 3.25Å; G142-I146 WeakPolarHBondContact O-CG1 3.34Å; G142-I146 PolarHBondContact O-N 3.42Å
143A96.9Very high97.1Very high1 Ų124.5 Ų24.51%0.00814%0.137CC..Hα-helixtrans-57.4-48.6175.100000111.6V132 S139 F140 T147 V170V132-A143 HydrophobicContact CG1-CB 4.03Å; V132-A143 HydrophobicContact CG2-CB 3.75Å; S139-A143 VanDerWaalsContact O-CB 3.31Å; S139-A143 WeakPolarHBondContact O-CB 3.39Å; S139-A143 PolarHBondContact O-N 2.56Å; F140-A143 PolarHBondContact O-N 2.91Å; A143-T147 WeakPolarHBondContact O-CB 3.48Å; A143-T147 WeakPolarHBondContact O-CG2 3.47Å; A143-T147 PolarHBondContact O-N 3.25Å; A143-T147 PolarHBondContact O-OG1 3.12Å; A143-V170 HydrophobicContact CB-CG1 4.2Å; A143-V170 HydrophobicContact CB-CG2 4.29Å
144T97.4Very high97Very high30 Ų3027.2 Ų27.218%0.18416%0.155CC..Hα-helixtrans-59.6-49.6-178.9-60.30000111.8F140 W141 G142 N148F140-T144 WeakPolarHBondContact O-CB 3.43Å; F140-T144 PolarHBondContact O-N 2.87Å; F140-T144 PolarHBondContact O-OG1 3.11Å; W141-T144 PolarHBondContact O-N 3.34Å; G142-T144 VanDerWaalsContact C-N 3.35Å; G142-T144 PolarHBondContact O-N 3.13Å; T144-N148 WeakPolarHBondContact O-CB 3.31Å; T144-N148 PolarHBondContact O-N 3.37Å
145V96.6Very high96.9Very high57 Ų5736.7 Ų36.735%0.34519%0.189SC..Hα-helixtrans-67.3-49.5-177.9171.60000111.3W141 G142 N148 L149 I268W141-V145 WeakPolarHBondContact O-CB 3.48Å; W141-V145 WeakPolarHBondContact O-CG2 3.46Å; W141-V145 PolarHBondContact O-N 2.75Å; G142-V145 PolarHBondContact O-N 3.09Å; V145-N148 PolarHBondContact O-N 2.77Å; V145-L149 PolarHBondContact O-N 2.77Å; V145-I268 HydrophobicContact CG2-CD1 4.3Å; V145-I268 HydrophobicContact CG2-CG2 4.3Å
146I95.7Very high96.9Very high47 Ų4741 Ų4124%0.24121%0.212CC..Hα-helixtrans-68.9-44.5-173.1-63.7-61.4000111.6F128 G142 N148 L149F128-I146 HydrophobicContact CD2-CG2 4.38Å; F128-I146 HydrophobicContact CE2-CB 3.75Å; F128-I146 HydrophobicContact CE2-CG1 4.07Å; F128-I146 HydrophobicContact CE2-CG2 3.73Å; F128-I146 HydrophobicContact CZ-CB 3.97Å; F128-I146 HydrophobicContact CZ-CG2 3.88Å; G142-I146 WeakPolarHBondContact O-CB 3.36Å; G142-I146 VanDerWaalsContact O-CG1 3.25Å; G142-I146 WeakPolarHBondContact O-CG1 3.34Å; G142-I146 PolarHBondContact O-N 3.42Å; I146-N148 VanDerWaalsContact C-N 3.34Å; I146-N148 PolarHBondContact O-N 3.11Å; I146-L149 HydrophobicContact CD1-CD1 4.24Å; I146-L149 WeakPolarHBondContact O-CB 3.4Å; I146-L149 WeakPolarHBondContact O-CG 3.35Å; I146-L149 PolarHBondContact O-N 3.34Å
147T97Very high96.8Very high9 Ų941.1 Ų41.16%0.05521%0.213CC..Hα-helixtrans-68.1-35.2178.755.10000112F128 A143 L149 L150 V161 I164 W165 F178F128-T147 HydrophobicContact CE1-CG2 4.27Å; F128-T147 HydrophobicContact CZ-CG2 4.14Å; A143-T147 WeakPolarHBondContact O-CB 3.48Å; A143-T147 WeakPolarHBondContact O-CG2 3.47Å; A143-T147 PolarHBondContact O-N 3.25Å; A143-T147 PolarHBondContact O-OG1 3.12Å; T147-L149 PolarHBondContact O-N 2.98Å; T147-L149 VanDerWaalsContact O-N 3.12Å; T147-L150 WeakPolarHBondContact O-CB 3.48Å; T147-L150 PolarHBondContact O-N 2.94Å; T147-L150 VanDerWaalsContact O-N 3.11Å; T147-V161 WeakPolarHBondContact O-CG2 3.5Å; T147-I164 HydrophobicContact CG2-CG2 4.37Å; T147-W165 PolarHBondContact OG1-NE1 3.19Å; T147-F178 HydrophobicContact CG2-CZ 4Å
148N97.1Very high96.8Very high61 Ų6144.5 Ų44.533%0.32623%0.234SC..G310 helixtrans-69.7-4.4175.6-168.933.9000113.8T144 V145 I146 L150 S151 W165 K287T144-N148 WeakPolarHBondContact O-CB 3.31Å; T144-N148 PolarHBondContact O-N 3.37Å; V145-N148 PolarHBondContact O-N 2.77Å; I146-N148 VanDerWaalsContact C-N 3.34Å; I146-N148 PolarHBondContact O-N 3.11Å; N148-L150 PolarHBondContact O-N 3.33Å; N148-S151 PolarHBondContact O-N 3.47Å; N148-S151 PolarHBondContact O-OG 3.41Å; N148-S151 PolarHBondContact OD1-OG 3.29Å; N148-W165 HydrophobicContact CB-CH2 4.3Å; N148-W165 HydrophobicContact CB-CZ2 4.1Å; N148-K287 WeakPolarHBondContact O-CE 3.46Å; N148-K287 PolarHBondContact O-NZ 3.43Å; N148-K287 VanDerWaalsContact O-NZ 3.09Å
149L95.1Very high96.8Very high24 Ų2449.7 Ų49.713%0.12626%0.262CS..G310 helixtrans-63.2-30.8167.6-66.9179.6000111.6V145 I146 T147 S151 A152 L281 V291V145-L149 PolarHBondContact O-N 2.77Å; I146-L149 HydrophobicContact CD1-CD1 4.24Å; I146-L149 WeakPolarHBondContact O-CB 3.4Å; I146-L149 WeakPolarHBondContact O-CG 3.35Å; I146-L149 PolarHBondContact O-N 3.34Å; T147-L149 PolarHBondContact O-N 2.98Å; T147-L149 VanDerWaalsContact O-N 3.12Å; L149-S151 PolarHBondContact O-N 3.22Å; L149-A152 VanDerWaalsContact O-CB 3.23Å; L149-A152 WeakPolarHBondContact O-CB 3.46Å; L149-A152 PolarHBondContact O-N 2.92Å; L149-A152 VanDerWaalsContact O-N 3.08Å; L149-L281 HydrophobicContact CD1-CD1 4.36Å; L149-L281 HydrophobicContact CD1-CD2 3.7Å; L149-L281 HydrophobicContact CD2-CD1 4.25Å; L149-L281 HydrophobicContact CD2-CD2 4.17Å; L149-V291 HydrophobicContact CB-CG2 3.72Å; L149-V291 HydrophobicContact CD2-CG2 3.98Å; L149-V291 HydrophobicContact CG-CG2 4.27Å
150L94.6Very high96.8Very high55 Ų5552.2 Ų52.229%0.28828%0.276SS..G310 helixtrans-66.4-21179.3-64.5171.6000113.2T147 N148 A152 I153 G157 L160 V161 I164T147-L150 WeakPolarHBondContact O-CB 3.48Å; T147-L150 PolarHBondContact O-N 2.94Å; T147-L150 VanDerWaalsContact O-N 3.11Å; N148-L150 PolarHBondContact O-N 3.33Å; L150-A152 PolarHBondContact O-N 3.04Å; L150-A152 VanDerWaalsContact O-N 3.11Å; L150-I153 HydrophobicContact CD2-CD1 4.06Å; L150-I153 WeakPolarHBondContact O-CB 3.45Å; L150-I153 WeakPolarHBondContact O-CG1 3.41Å; L150-I153 PolarHBondContact O-N 3.45Å; L150-G157 VanDerWaalsContact O-CA 3.29Å; L150-G157 WeakPolarHBondContact O-CA 3.42Å; L150-L160 HydrophobicContact CB-CD2 4.26Å; L150-L160 HydrophobicContact CD1-CD2 4.25Å; L150-L160 HydrophobicContact CD2-CD2 4.43Å; L150-V161 HydrophobicContact CB-CG2 3.79Å; L150-I164 HydrophobicContact CD1-CD1 3.23Å
151S96.6Very high96.8Very high31 Ų3152 Ų5222%0.21728%0.275CS..G310 helixtrans-67.8-8.4173.563.70000113.4N148 L149 I153 K287N148-S151 PolarHBondContact O-N 3.47Å; N148-S151 PolarHBondContact O-OG 3.41Å; N148-S151 PolarHBondContact OD1-OG 3.29Å; L149-S151 PolarHBondContact O-N 3.22Å; S151-I153 PolarHBondContact O-N 2.93Å; S151-K287 PolarHBondContact OG-NZ 2.99Å
152A96.2Very high96.8Very high16 Ų1653.8 Ų53.813%0.13229%0.285CS..G310 helixtrans-72-16.7170.400000113.3L149 L150 P154 K287 L288 V291L149-A152 VanDerWaalsContact O-CB 3.23Å; L149-A152 WeakPolarHBondContact O-CB 3.46Å; L149-A152 PolarHBondContact O-N 2.92Å; L149-A152 VanDerWaalsContact O-N 3.08Å; L150-A152 PolarHBondContact O-N 3.04Å; L150-A152 VanDerWaalsContact O-N 3.11Å; A152-P154 WeakPolarHBondContact O-CD 3.4Å; A152-K287 HydrophobicContact CB-CD 4.04Å; A152-K287 HydrophobicContact CB-CG 3.92Å; A152-L288 HydrophobicContact CB-CB 4.27Å; A152-L288 HydrophobicContact CB-CD1 4.38Å; A152-V291 HydrophobicContact CB-CG2 4.31Å
153I96.8Very high96.9Very high58 Ų5862.3 Ų62.330%0.29731%0.314SS..SBendtrans-68.6122.4178.8-60.8171000108.9L150 S151 I156 G157 L160L150-I153 HydrophobicContact CD2-CD1 4.06Å; L150-I153 WeakPolarHBondContact O-CB 3.45Å; L150-I153 WeakPolarHBondContact O-CG1 3.41Å; L150-I153 PolarHBondContact O-N 3.45Å; S151-I153 PolarHBondContact O-N 2.93Å; I153-I156 HydrophobicContact CG2-CD1 4.18Å; I153-I156 HydrophobicContact CG2-CG1 3.7Å; I153-G157 VanDerWaalsContact O-CA 3.31Å; I153-G157 WeakPolarHBondContact O-CA 3.14Å; I153-G157 PolarHBondContact O-N 3.27Å; I153-L160 HydrophobicContact CD1-CD2 4.05Å
154P96.4Very high96.9Very high71 Ų7163.8 Ų63.846%0.46132%0.321SS..THydrogen-bonded Turntrans-57.7144.4179.3-25.335000112.5A152 I156 L288A152-P154 WeakPolarHBondContact O-CD 3.4Å; P154-I156 PolarHBondContact O-N 3.43Å; P154-L288 HydrophobicContact CG-CD2 4.42Å
155Y96.3Very high97Very high229 Ų22963.4 Ų63.490%0.89832%0.317SS*.THydrogen-bonded Turntrans69-55.1177.4-45.6-70.5000115.4
156I97.9Very high97Very high104 Ų10462.5 Ų62.553%0.53332%0.318SS..THydrogen-bonded Turntrans-102.4-6.3-170.262.3169.8000114.3I153 P154 T158 D159 L160I153-I156 HydrophobicContact CG2-CD1 4.18Å; I153-I156 HydrophobicContact CG2-CG1 3.7Å; P154-I156 PolarHBondContact O-N 3.43Å; I156-T158 PolarHBondContact O-N 3.49Å; I156-D159 PolarHBondContact O-N 2.84Å; I156-L160 WeakPolarHBondContact O-CB 3.26Å; I156-L160 PolarHBondContact O-N 2.89Å
157G97.4Very high97.1Very high1 Ų161.7 Ų61.71%0.0132%0.322CS..Hα-helixtrans-61.6-45.1-168.600000114.2L150 I153 L160 V161L150-G157 VanDerWaalsContact O-CA 3.29Å; L150-G157 WeakPolarHBondContact O-CA 3.42Å; I153-G157 VanDerWaalsContact O-CA 3.31Å; I153-G157 WeakPolarHBondContact O-CA 3.14Å; I153-G157 PolarHBondContact O-N 3.27Å; G157-L160 PolarHBondContact O-N 3.06Å; G157-V161 WeakPolarHBondContact O-CG2 3.27Å; G157-V161 PolarHBondContact O-N 3.21Å
158T96.9Very high97.1Very high83 Ų8370.7 Ų70.751%0.50936%0.356SS..Hα-helixtrans-64.7-44.9-179.5-53.70000111.6I156 L160 V161 Q162I156-T158 PolarHBondContact O-N 3.49Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.39Å; T158-V161 PolarHBondContact O-N 3.48Å; T158-Q162 PolarHBondContact O-N 3.38Å
159D98.1Very high97Very high111 Ų11170.9 Ų70.959%0.59436%0.362SS*.Hα-helixtrans-63.2-40.1178.3-62.6-18.5000110.9I156 V161 Q162 W163I156-D159 PolarHBondContact O-N 2.84Å; D159-V161 PolarHBondContact O-N 3.09Å; D159-Q162 PolarHBondContact O-N 2.91Å; D159-W163 WeakPolarHBondContact O-CB 3.28Å; D159-W163 PolarHBondContact O-N 2.92Å
160L97.9Very high97.2Very high54 Ų5469.9 Ų69.928%0.28336%0.357SS..Hα-helixtrans-62.7-42.5176.7-175.664.6000112L150 I153 I156 G157 T158 W163 I164L150-L160 HydrophobicContact CB-CD2 4.26Å; L150-L160 HydrophobicContact CD1-CD2 4.25Å; L150-L160 HydrophobicContact CD2-CD2 4.43Å; I153-L160 HydrophobicContact CD1-CD2 4.05Å; I156-L160 WeakPolarHBondContact O-CB 3.26Å; I156-L160 PolarHBondContact O-N 2.89Å; G157-L160 PolarHBondContact O-N 3.06Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 3.39Å; L160-W163 HydrophobicContact CD1-CE3 4.17Å; L160-W163 PolarHBondContact O-N 3.28Å; L160-I164 HydrophobicContact CD1-CD1 4.4Å; L160-I164 HydrophobicContact CG-CD1 4.14Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 3.41Å
161V98.1Very high97.3Very high4 Ų471.1 Ų71.12%0.02436%0.364CS..Hα-helixtrans-63.8-49.7177.3170.80000110.9T147 L150 G157 T158 D159 W163 I164 W165T147-V161 WeakPolarHBondContact O-CG2 3.5Å; L150-V161 HydrophobicContact CB-CG2 3.79Å; G157-V161 WeakPolarHBondContact O-CG2 3.27Å; G157-V161 PolarHBondContact O-N 3.21Å; T158-V161 PolarHBondContact O-N 3.48Å; D159-V161 PolarHBondContact O-N 3.09Å; V161-W163 VanDerWaalsContact C-N 3.27Å; V161-W163 PolarHBondContact O-N 3.45Å; V161-I164 PolarHBondContact O-N 3.19Å; V161-I164 VanDerWaalsContact O-N 3.17Å; V161-W165 HydrophobicContact CG1-CD2 3.64Å; V161-W165 VanDerWaalsContact CG1-CE2 3.45Å; V161-W165 HydrophobicContact CG1-CE3 3.68Å; V161-W165 HydrophobicContact CG1-CG 4.47Å; V161-W165 HydrophobicContact CG1-CH2 3.47Å; V161-W165 VanDerWaalsContact CG1-CH2 3.47Å; V161-W165 HydrophobicContact CG1-CZ2 3.4Å; V161-W165 HydrophobicContact CG1-CZ3 3.61Å; V161-W165 PolarHBondContact O-N 3.41Å
162Q98.1Very high97.3Very high73 Ų7370.8 Ų70.834%0.34136%0.361SS..Hα-helixtrans-64.1-35.1178.7-69.4-178.3-3.300111.9T158 D159 W165 G166 G167T158-Q162 PolarHBondContact O-N 3.38Å; D159-Q162 PolarHBondContact O-N 2.91Å; Q162-W165 PolarHBondContact O-N 3.42Å; Q162-G166 WeakPolarHBondContact O-CA 3.44Å; Q162-G166 PolarHBondContact O-N 2.96Å; Q162-G167 WeakPolarHBondContact CA-O 3.25Å; Q162-G167 PolarHBondContact O-N 2.97Å
163W98.3Very high97.4Very high189 Ų18973 Ų7372%0.71637%0.374SS*.Hα-helixtrans-64-44.7173.1-179.478.8000111.7D159 L160 V161 W165 G166 R177D159-W163 WeakPolarHBondContact O-CB 3.28Å; D159-W163 PolarHBondContact O-N 2.92Å; L160-W163 HydrophobicContact CD1-CE3 4.17Å; L160-W163 PolarHBondContact O-N 3.28Å; V161-W163 VanDerWaalsContact C-N 3.27Å; V161-W163 PolarHBondContact O-N 3.45Å; W163-W165 VanDerWaalsContact C-N 3.34Å; W163-W165 PolarHBondContact O-N 2.99Å; W163-G166 PolarHBondContact O-N 2.79Å; W163-R177 PolarHBondContact O-NH1 3.49Å
164I97.5Very high97.5Very high33 Ų3370.2 Ų70.217%0.16936%0.36CS..Hα-helixtrans-63.8-38.1175.2-72.5168000111.4T147 L150 L160 V161 R177 F178T147-I164 HydrophobicContact CG2-CG2 4.37Å; L150-I164 HydrophobicContact CD1-CD1 3.23Å; L160-I164 HydrophobicContact CD1-CD1 4.4Å; L160-I164 HydrophobicContact CG-CD1 4.14Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 3.41Å; V161-I164 PolarHBondContact O-N 3.19Å; V161-I164 VanDerWaalsContact O-N 3.17Å; I164-R177 WeakPolarHBondContact O-CD 3.34Å; I164-R177 PolarHBondContact O-NE 3.08Å; I164-R177 PolarHBondContact O-NH1 3.46Å; I164-F178 HydrophobicContact CG2-CE1 4.26Å; I164-F178 HydrophobicContact CG2-CZ 4.45Å
165W98.3Very high97.5Very high22 Ų2266.8 Ų66.88%0.08334%0.338CS..Hα-helixtrans-74.1-33.4177.3-66.7-16.5000112.6T147 N148 V161 Q162 W163 G167 Y168 V170 T174T147-W165 PolarHBondContact OG1-NE1 3.19Å; N148-W165 HydrophobicContact CB-CH2 4.3Å; N148-W165 HydrophobicContact CB-CZ2 4.1Å; V161-W165 HydrophobicContact CG1-CD2 3.64Å; V161-W165 VanDerWaalsContact CG1-CE2 3.45Å; V161-W165 HydrophobicContact CG1-CE3 3.68Å; V161-W165 HydrophobicContact CG1-CG 4.47Å; V161-W165 HydrophobicContact CG1-CH2 3.47Å; V161-W165 VanDerWaalsContact CG1-CH2 3.47Å; V161-W165 HydrophobicContact CG1-CZ2 3.4Å; V161-W165 HydrophobicContact CG1-CZ3 3.61Å; V161-W165 PolarHBondContact O-N 3.41Å; Q162-W165 PolarHBondContact O-N 3.42Å; W163-W165 VanDerWaalsContact C-N 3.34Å; W163-W165 PolarHBondContact O-N 2.99Å; W165-G167 VanDerWaalsContact C-N 3.31Å; W165-Y168 VanDerWaalsContact CZ3-O 3.26Å; W165-Y168 WeakPolarHBondContact CZ3-O 3.48Å; W165-V170 HydrophobicContact CD2-CG2 4.4Å; W165-V170 HydrophobicContact CG-CG2 4.37Å; W165-V170 HydrophobicContact CZ2-CG2 4.34Å; W165-T174 WeakPolarHBondContact CA-OG1 3.26Å; W165-T174 PolarHBondContact O-N 2.87Å; W165-T174 PolarHBondContact O-OG1 3.43Å
166G97.4Very high97.6Very high37 Ų3758.9 Ų58.938%0.38131%0.314SS..THydrogen-bonded Turntrans73.127.4-168.600000113Q162 W163Q162-G166 WeakPolarHBondContact O-CA 3.44Å; Q162-G166 PolarHBondContact O-N 2.96Å; W163-G166 PolarHBondContact O-N 2.79Å
167G96.3Very high97.7Very high30 Ų3057.4 Ų57.431%0.30930%0.301SS..SBendtrans172.5-167.2-171.800000110.9Q162 W165Q162-G167 WeakPolarHBondContact CA-O 3.25Å; Q162-G167 PolarHBondContact O-N 2.97Å; W165-G167 VanDerWaalsContact C-N 3.31Å
168Y97Very high97.7Very high199 Ų19957.9 Ų57.978%0.7830%0.303SS*.SBendtrans-89.6-11-176.6-58.8-71.5000114.1W165W165-Y168 VanDerWaalsContact CZ3-O 3.26Å; W165-Y168 WeakPolarHBondContact CZ3-O 3.48Å
169S96.4Very high97.8Very high64 Ų6456 Ų5645%0.44829%0.288SS..SBendtrans-150168177.456.90000109.7D171S169-D171 PolarHBondContact O-N 3.04Å
170V97.8Very high97.8Very high3 Ų354.6 Ų54.62%0.01828%0.284CS..SBendtrans-61.5123.4166.6175.60000108.7W135 F140 A143 W165 T174W135-V170 HydrophobicContact CH2-CG1 3.71Å; W135-V170 HydrophobicContact CZ3-CG1 4.04Å; F140-V170 HydrophobicContact CD2-CG1 4.1Å; F140-V170 HydrophobicContact CE2-CB 4.12Å; F140-V170 HydrophobicContact CE2-CG1 4.13Å; F140-V170 VanDerWaalsContact CE2-O 3.3Å; F140-V170 WeakPolarHBondContact CE2-O 3.35Å; A143-V170 HydrophobicContact CB-CG1 4.2Å; A143-V170 HydrophobicContact CB-CG2 4.29Å; W165-V170 HydrophobicContact CD2-CG2 4.4Å; W165-V170 HydrophobicContact CG-CG2 4.37Å; W165-V170 HydrophobicContact CZ2-CG2 4.34Å; V170-T174 HydrophobicContact CG1-CG2 4.19Å
171D97.2Very high97.9Very high82 Ų8257.3 Ų57.344%0.43929%0.293SS..SBendtrans-158.2-170.5-178.4-1621.4000110.7S169 P173 T174 L175S169-D171 PolarHBondContact O-N 3.04Å; D171-P173 VanDerWaalsContact C-CD 3.44Å; D171-P173 VanDerWaalsContact C-N 3.33Å; D171-P173 VanDerWaalsContact O-N 3.17Å; D171-T174 PolarHBondContact N-OG1 3.24Å; D171-T174 WeakPolarHBondContact O-CA 3.44Å; D171-T174 VanDerWaalsContact O-CB 3.25Å; D171-T174 WeakPolarHBondContact O-CB 3.45Å; D171-T174 PolarHBondContact O-N 3.37Å; D171-L175 PolarHBondContact O-N 2.98Å
172S97.3Very high97.9Very high23 Ų2358.4 Ų58.416%0.16130%0.298CS..Hα-helixtrans-43.5-47.2178.7-82.50000114D58 A59 T174 L175 T176D58-S172 PolarHBondContact OD2-OG 3.11Å; A59-S172 VanDerWaalsContact CB-OG 3.22Å; A59-S172 WeakPolarHBondContact CB-OG 3.31Å; A59-S172 PolarHBondContact N-OG 3.47Å; S172-T174 PolarHBondContact O-N 3.28Å; S172-L175 PolarHBondContact O-N 3.28Å; S172-L175 VanDerWaalsContact O-N 3.08Å; S172-T176 PolarHBondContact O-N 3.5Å; S172-T176 PolarHBondContact O-OG1 3.26Å; S172-T176 VanDerWaalsContact O-OG1 3.11Å
173P98.1Very high97.9Very high62 Ų6258.8 Ų58.840%0.40330%0.299SS..Hα-helixtrans-58.5-34.6177-24.935.1000113.6D171 R177D171-P173 VanDerWaalsContact C-CD 3.44Å; D171-P173 VanDerWaalsContact C-N 3.33Å; D171-P173 VanDerWaalsContact O-N 3.17Å; P173-R177 WeakPolarHBondContact O-CG 3.21Å; P173-R177 PolarHBondContact O-N 3.07Å; P173-R177 PolarHBondContact O-NE 3.47Å
174T98.1Very high98Very high0 Ų053.6 Ų53.60%028%0.284CS..Hα-helixtrans-72-40.2175.7-44.40000111.4W165 V170 D171 S172 R177 F178W165-T174 WeakPolarHBondContact CA-OG1 3.26Å; W165-T174 PolarHBondContact O-N 2.87Å; W165-T174 PolarHBondContact O-OG1 3.43Å; V170-T174 HydrophobicContact CG1-CG2 4.19Å; D171-T174 PolarHBondContact N-OG1 3.24Å; D171-T174 WeakPolarHBondContact O-CA 3.44Å; D171-T174 VanDerWaalsContact O-CB 3.25Å; D171-T174 WeakPolarHBondContact O-CB 3.45Å; D171-T174 PolarHBondContact O-N 3.37Å; S172-T174 PolarHBondContact O-N 3.28Å; T174-R177 WeakPolarHBondContact O-CG 3.46Å; T174-F178 HydrophobicContact CG2-CD1 4.33Å; T174-F178 HydrophobicContact CG2-CD2 4.45Å; T174-F178 HydrophobicContact CG2-CE1 4.06Å; T174-F178 HydrophobicContact CG2-CE2 4.21Å; T174-F178 HydrophobicContact CG2-CZ 3.99Å; T174-F178 WeakPolarHBondContact O-CB 3.43Å; T174-F178 WeakPolarHBondContact O-CG 3.39Å; T174-F178 PolarHBondContact O-N 3.31Å
175L98.1Very high98Very high0 Ų053.4 Ų53.40%028%0.284CS..Hα-helixtrans-66.9-45.2-179.8-174.255.5000112A62 V132 L133 W135 D171 S172 R177 F178 F179A62-L175 HydrophobicContact CB-CD2 3.53Å; V132-L175 HydrophobicContact CG1-CD1 4.39Å; L133-L175 HydrophobicContact CD2-CD1 3.99Å; W135-L175 HydrophobicContact CD2-CD2 3.84Å; W135-L175 HydrophobicContact CE3-CB 4.25Å; W135-L175 HydrophobicContact CE3-CD1 3.64Å; W135-L175 HydrophobicContact CE3-CD2 3.67Å; W135-L175 HydrophobicContact CE3-CG 4.06Å; W135-L175 HydrophobicContact CG-CD2 4.26Å; W135-L175 HydrophobicContact CH2-CB 4.14Å; W135-L175 HydrophobicContact CZ3-CB 3.79Å; W135-L175 HydrophobicContact CZ3-CD1 3.84Å; W135-L175 HydrophobicContact CZ3-CD2 4.04Å; W135-L175 HydrophobicContact CZ3-CG 4.1Å; D171-L175 PolarHBondContact O-N 2.98Å; S172-L175 PolarHBondContact O-N 3.28Å; S172-L175 VanDerWaalsContact O-N 3.08Å; L175-R177 PolarHBondContact O-N 3.45Å; L175-F178 PolarHBondContact O-N 3.14Å; L175-F179 PolarHBondContact O-N 3.14Å
176T98.4Very high98Very high63 Ų6353.2 Ų53.239%0.38729%0.285SS..Hα-helixtrans-60.5-46.2179.3-51.70000111.8P57 S172 F179 T180P57-T176 PolarHBondContact O-OG1 3.48Å; S172-T176 PolarHBondContact O-N 3.5Å; S172-T176 PolarHBondContact O-OG1 3.26Å; S172-T176 VanDerWaalsContact O-OG1 3.11Å; T176-F179 PolarHBondContact O-N 3.02Å; T176-T180 PolarHBondContact O-N 3.12Å; T176-T180 PolarHBondContact O-OG1 2.9Å; T176-T180 VanDerWaalsContact O-OG1 3.07Å
177R98.1Very high98.1Very high73 Ų7355.9 Ų55.928%0.27529%0.286SS..Hα-helixtrans-66.9-38.717766.6-174.668.5-155.3-11.8112.4W163 I164 P173 T174 L175 F179 T180 F181W163-R177 PolarHBondContact O-NH1 3.49Å; I164-R177 WeakPolarHBondContact O-CD 3.34Å; I164-R177 PolarHBondContact O-NE 3.08Å; I164-R177 PolarHBondContact O-NH1 3.46Å; P173-R177 WeakPolarHBondContact O-CG 3.21Å; P173-R177 PolarHBondContact O-N 3.07Å; P173-R177 PolarHBondContact O-NE 3.47Å; T174-R177 WeakPolarHBondContact O-CG 3.46Å; L175-R177 PolarHBondContact O-N 3.45Å; R177-F179 VanDerWaalsContact C-N 3.29Å; R177-F179 PolarHBondContact O-N 3.12Å; R177-T180 PolarHBondContact O-N 3.05Å; R177-T180 VanDerWaalsContact O-N 3.17Å; R177-F181 HydrophobicContact CB-CD2 4.37Å; R177-F181 HydrophobicContact CB-CE2 4.33Å; R177-F181 WeakPolarHBondContact O-CD2 3.16Å; R177-F181 PolarHBondContact O-N 3.19Å
178F98.6Very high98.2Very high11 Ų1158.2 Ų58.25%0.04829%0.291CS..Hα-helixtrans-65.9-37.3178.8-83.315.8000110.4F128 M129 V132 L133 T147 I164 T174 L175 H182F128-F178 AromaticContact CE1-CE2 3.89Å; F128-F178 HydrophobicContact CE1-CE2 3.89Å; F128-F178 HydrophobicContact CE1-CZ 4.18Å; F128-F178 HydrophobicContact CZ-CE2 4.45Å; M129-F178 HydrophobicContact CB-CB 4.26Å; M129-F178 HydrophobicContact CB-CD2 4.4Å; M129-F178 HydrophobicContact CB-CG 4.34Å; M129-F178 HydrophobicContact CG-CB 4.3Å; M129-F178 HydrophobicContact CG-CD1 4.16Å; M129-F178 HydrophobicContact CG-CD2 4Å; M129-F178 HydrophobicContact CG-CE2 4.36Å; M129-F178 HydrophobicContact CG-CG 3.91Å; M129-F178 HydrophobicContact SD-CD1 4.12Å; M129-F178 HydrophobicContact SD-CG 4.34Å; V132-F178 HydrophobicContact CB-CD2 3.92Å; V132-F178 HydrophobicContact CG1-CD2 3.96Å; V132-F178 HydrophobicContact CG1-CE2 4.5Å; V132-F178 HydrophobicContact CG2-CD2 3.87Å; V132-F178 HydrophobicContact CG2-CE2 4.03Å; L133-F178 HydrophobicContact CD2-CB 4.49Å; T147-F178 HydrophobicContact CG2-CZ 4Å; I164-F178 HydrophobicContact CG2-CE1 4.26Å; I164-F178 HydrophobicContact CG2-CZ 4.45Å; T174-F178 HydrophobicContact CG2-CD1 4.33Å; T174-F178 HydrophobicContact CG2-CD2 4.45Å; T174-F178 HydrophobicContact CG2-CE1 4.06Å; T174-F178 HydrophobicContact CG2-CE2 4.21Å; T174-F178 HydrophobicContact CG2-CZ 3.99Å; T174-F178 WeakPolarHBondContact O-CB 3.43Å; T174-F178 WeakPolarHBondContact O-CG 3.39Å; T174-F178 PolarHBondContact O-N 3.31Å; L175-F178 PolarHBondContact O-N 3.14Å; F178-H182 WeakPolarHBondContact O-CB 3.28Å; F178-H182 PolarHBondContact O-N 2.92Å
179F98.8Very high98.3Very high43 Ų4349.1 Ų49.119%0.18926%0.255CS..Hα-helixtrans-59.9-48.7169.4175-108.9000111.7A52 Y55 P57 L133 L175 T176 R177 F181 H182 F183A52-F179 HydrophobicContact CB-CE2 4.23Å; A52-F179 HydrophobicContact CB-CZ 4.13Å; Y55-F179 AromaticContact CD1-CD2 3.65Å; Y55-F179 HydrophobicContact CD1-CD2 3.65Å; Y55-F179 AromaticContact CD1-CE2 3.66Å; Y55-F179 HydrophobicContact CD1-CE2 3.66Å; Y55-F179 HydrophobicContact CD1-CG 4.34Å; Y55-F179 HydrophobicContact CD1-CZ 4.35Å; Y55-F179 HydrophobicContact CE1-CB 4.32Å; Y55-F179 AromaticContact CE1-CD2 3.59Å; Y55-F179 HydrophobicContact CE1-CD2 3.59Å; Y55-F179 HydrophobicContact CE1-CE2 4.11Å; Y55-F179 HydrophobicContact CE1-CG 4.02Å; P57-F179 HydrophobicContact CB-CB 3.8Å; P57-F179 HydrophobicContact CB-CD1 3.97Å; P57-F179 HydrophobicContact CB-CG 3.92Å; P57-F179 HydrophobicContact CG-CD1 3.93Å; P57-F179 HydrophobicContact CG-CE1 4.43Å; P57-F179 HydrophobicContact CG-CG 4.38Å; L133-F179 HydrophobicContact CD1-CD2 4.04Å; L133-F179 HydrophobicContact CD2-CB 3.9Å; L175-F179 PolarHBondContact O-N 3.14Å; T176-F179 PolarHBondContact O-N 3.02Å; R177-F179 VanDerWaalsContact C-N 3.29Å; R177-F179 PolarHBondContact O-N 3.12Å; F179-F181 PolarHBondContact O-N 3.14Å; F179-H182 PolarHBondContact O-N 3.46Å; F179-F183 HydrophobicContact CZ-CD2 4.33Å; F179-F183 WeakPolarHBondContact O-CB 3.15Å; F179-F183 PolarHBondContact O-N 2.99Å
180T98.7Very high98.4Very high82 Ų8249 Ų4950%0.50325%0.252SS..Hα-helixtrans-58.7-46.8178.1-53.50000112.4T176 R177 F183 I184T176-T180 PolarHBondContact O-N 3.12Å; T176-T180 PolarHBondContact O-OG1 2.9Å; T176-T180 VanDerWaalsContact O-OG1 3.07Å; R177-T180 PolarHBondContact O-N 3.05Å; R177-T180 VanDerWaalsContact O-N 3.17Å; T180-F183 PolarHBondContact O-N 3.44Å; T180-I184 WeakPolarHBondContact O-CG2 3.47Å; T180-I184 PolarHBondContact O-N 3.46Å; T180-I184 VanDerWaalsContact O-N 3.1Å
181F98.7Very high98.4Very high110 Ų11052 Ų5248%0.48228%0.277SS..Hα-helixtrans-67.9-42178.4-75.6-58.9000112.6M129 R177 F179 F183 I184 L185M129-F181 HydrophobicContact CE-CB 3.87Å; M129-F181 HydrophobicContact SD-CB 3.45Å; M129-F181 WeakPolarHBondContact SD-CB 3.45Å; M129-F181 HydrophobicContact SD-CD2 4.5Å; M129-F181 HydrophobicContact SD-CG 4.31Å; R177-F181 HydrophobicContact CB-CD2 4.37Å; R177-F181 HydrophobicContact CB-CE2 4.33Å; R177-F181 WeakPolarHBondContact O-CD2 3.16Å; R177-F181 PolarHBondContact O-N 3.19Å; F179-F181 PolarHBondContact O-N 3.14Å; F181-F183 PolarHBondContact O-N 2.87Å; F181-I184 WeakPolarHBondContact O-CG2 3.33Å; F181-I184 PolarHBondContact O-N 3.4Å; F181-L185 WeakPolarHBondContact O-CB 3.48Å; F181-L185 VanDerWaalsContact O-CG 3.31Å; F181-L185 WeakPolarHBondContact O-CG 3.39Å; F181-L185 PolarHBondContact O-N 3.23Å
182H98.8Very high98.5Very high27 Ų2749.6 Ų49.613%0.12526%0.264CS..Hα-helixtrans-61.2-35.1174.6179.872.1000111.9H83 T126 M129 G130 L133 F178 F179 P186H83-H182 AromaticContact NE2-NE2 3.96Å; T126-H182 PolarHBondContact O-CE1 3.17Å; T126-H182 PolarHBondContact O-ND1 3.14Å; M129-H182 HydrophobicContact CB-CB 4.09Å; G130-H182 WeakPolarHBondContact CA-CE1 3.46Å; G130-H182 VanDerWaalsContact CA-ND1 3.26Å; G130-H182 WeakPolarHBondContact CA-ND1 3.42Å; G130-H182 PolarHBondContact N-ND1 2.76Å; L133-H182 HydrophobicContact CD1-CB 4.31Å; F178-H182 WeakPolarHBondContact O-CB 3.28Å; F178-H182 PolarHBondContact O-N 2.92Å; F179-H182 PolarHBondContact O-N 3.46Å; H182-P186 WeakPolarHBondContact O-CD 3.37Å; H182-P186 WeakPolarHBondContact O-CG 3.12Å
183F98.8Very high98.6Very high81 Ų8149.9 Ų49.936%0.35527%0.268SS..Hα-helixtrans-71.7-43.1177.6-167.3-84.3000112.6L49 A52 F179 T180 F181 F187L49-F183 HydrophobicContact CD1-CE2 4.28Å; L49-F183 HydrophobicContact CD1-CZ 4.1Å; A52-F183 HydrophobicContact CB-CD2 4.29Å; A52-F183 HydrophobicContact CB-CE2 4Å; F179-F183 HydrophobicContact CZ-CD2 4.33Å; F179-F183 WeakPolarHBondContact O-CB 3.15Å; F179-F183 PolarHBondContact O-N 2.99Å; T180-F183 PolarHBondContact O-N 3.44Å; F181-F183 PolarHBondContact O-N 2.87Å; F183-F187 HydrophobicContact CD1-CE2 4.07Å; F183-F187 AromaticContact CE1-CE2 3.83Å; F183-F187 HydrophobicContact CE1-CE2 3.83Å; F183-F187 HydrophobicContact CE1-CZ 4.44Å; F183-F187 HydrophobicContact CZ-CE2 4.48Å; F183-F187 VanDerWaalsContact O-CD2 3.26Å; F183-F187 WeakPolarHBondContact O-CD2 3.38Å; F183-F187 VanDerWaalsContact O-CE2 3.24Å; F183-F187 WeakPolarHBondContact O-CE2 3.25Å
184I98.8Very high98.6Very high80 Ų8049.9 Ų49.941%0.4127%0.273SS..Hα-helixtrans-79-34.6-175.4-168.960.5000113.6T180 F181 F187 I188T180-I184 WeakPolarHBondContact O-CG2 3.47Å; T180-I184 PolarHBondContact O-N 3.46Å; T180-I184 VanDerWaalsContact O-N 3.1Å; F181-I184 WeakPolarHBondContact O-CG2 3.33Å; F181-I184 PolarHBondContact O-N 3.4Å; I184-F187 WeakPolarHBondContact O-CB 3.39Å; I184-F187 PolarHBondContact O-N 3.23Å; I184-F187 VanDerWaalsContact O-N 3.12Å; I184-I188 HydrophobicContact CG1-CD1 4.25Å; I184-I188 PolarHBondContact O-N 3.28Å
185L98.7Very high98.6Very high30 Ų3053 Ų5316%0.15729%0.289CS..Hα-helixtrans-60.3-39.4-174-81.4172.1000115A125 T126 M129 F181 F187 I188 I189A125-L185 HydrophobicContact CB-CD1 4.25Å; T126-L185 HydrophobicContact CG2-CB 4.47Å; T126-L185 WeakPolarHBondContact OG1-CB 3.26Å; M129-L185 HydrophobicContact CE-CD1 3.23Å; F181-L185 WeakPolarHBondContact O-CB 3.48Å; F181-L185 VanDerWaalsContact O-CG 3.31Å; F181-L185 WeakPolarHBondContact O-CG 3.39Å; F181-L185 PolarHBondContact O-N 3.23Å; L185-F187 PolarHBondContact O-N 2.83Å; L185-I188 HydrophobicContact CD2-CD1 4.17Å; L185-I188 CarbonylContact O-C 3.37Å; L185-I188 WeakPolarHBondContact O-CA 3.43Å; L185-I188 WeakPolarHBondContact O-CB 3.37Å; L185-I188 PolarHBondContact O-N 3.42Å; L185-I189 WeakPolarHBondContact O-CG1 3.42Å; L185-I189 PolarHBondContact O-N 2.77Å
186P98.8Very high98.6Very high17 Ų1754.4 Ų54.411%0.1130%0.296CS..Hα-helixtrans-54.9-33.3174.1-28.734.8000114.1L41 I45 T126 H182 T190L41-P186 HydrophobicContact CD1-CB 4.5Å; I45-P186 HydrophobicContact CD1-CB 4.17Å; I45-P186 HydrophobicContact CG1-CB 3.69Å; T126-P186 HydrophobicContact CG2-CG 3.89Å; H182-P186 WeakPolarHBondContact O-CD 3.37Å; H182-P186 WeakPolarHBondContact O-CG 3.12Å; P186-T190 PolarHBondContact O-N 2.86Å; P186-T190 PolarHBondContact O-OG1 3.08Å
187F98.6Very high98.6Very high93 Ų9354.9 Ų54.941%0.40830%0.296SS..Hα-helixtrans-74.6-36.7175.8-58.3-75000111.8I45 F183 I184 L185 T190 A191I45-F187 HydrophobicContact CG2-CE1 4.12Å; I45-F187 HydrophobicContact CG2-CZ 4.3Å; F183-F187 HydrophobicContact CD1-CE2 4.07Å; F183-F187 AromaticContact CE1-CE2 3.83Å; F183-F187 HydrophobicContact CE1-CE2 3.83Å; F183-F187 HydrophobicContact CE1-CZ 4.44Å; F183-F187 HydrophobicContact CZ-CE2 4.48Å; F183-F187 VanDerWaalsContact O-CD2 3.26Å; F183-F187 WeakPolarHBondContact O-CD2 3.38Å; F183-F187 VanDerWaalsContact O-CE2 3.24Å; F183-F187 WeakPolarHBondContact O-CE2 3.25Å; I184-F187 WeakPolarHBondContact O-CB 3.39Å; I184-F187 PolarHBondContact O-N 3.23Å; I184-F187 VanDerWaalsContact O-N 3.12Å; L185-F187 PolarHBondContact O-N 2.83Å; F187-T190 WeakPolarHBondContact O-CB 3.47Å; F187-T190 PolarHBondContact O-N 2.75Å; F187-A191 PolarHBondContact O-N 2.59Å; F187-A191 VanDerWaalsContact O-N 3.11Å
188I98.8Very high98.6Very high80 Ų8055.8 Ų55.841%0.4131%0.305SS..Hα-helixtrans-63.5-43.4171.4-63.7170000110.1I184 L185 T190 A191 L192I184-I188 HydrophobicContact CG1-CD1 4.25Å; I184-I188 PolarHBondContact O-N 3.28Å; L185-I188 HydrophobicContact CD2-CD1 4.17Å; L185-I188 CarbonylContact O-C 3.37Å; L185-I188 WeakPolarHBondContact O-CA 3.43Å; L185-I188 WeakPolarHBondContact O-CB 3.37Å; L185-I188 PolarHBondContact O-N 3.42Å; I188-T190 VanDerWaalsContact C-N 3.27Å; I188-T190 PolarHBondContact O-N 3.13Å; I188-A191 PolarHBondContact O-N 3.42Å; I188-A191 VanDerWaalsContact O-N 3.16Å; I188-L192 HydrophobicContact CG2-CD1 4.06Å; I188-L192 HydrophobicContact CG2-CG 4.42Å; I188-L192 WeakPolarHBondContact O-CG 3.2Å; I188-L192 PolarHBondContact O-N 3.03Å
189I98.9Very high98.6Very high7 Ų758.4 Ų58.44%0.03632%0.317CS..Hα-helixtrans-58.9-39.7173.8-68.8168000110.6L41 L119 A122 T126 L185 A191 L192 A193L41-I189 HydrophobicContact CD1-CB 4.4Å; L41-I189 HydrophobicContact CD1-CG2 3.87Å; L41-I189 HydrophobicContact CD2-CG2 3.96Å; L119-I189 HydrophobicContact CD2-CG2 3.83Å; A122-I189 HydrophobicContact CB-CD1 4.14Å; A122-I189 HydrophobicContact CB-CG1 3.73Å; T126-I189 WeakPolarHBondContact OG1-CD1 3.4Å; L185-I189 WeakPolarHBondContact O-CG1 3.42Å; L185-I189 PolarHBondContact O-N 2.77Å; I189-A191 PolarHBondContact O-N 3.22Å; I189-L192 PolarHBondContact O-N 3.44Å; I189-A193 VanDerWaalsContact O-CB 3.29Å; I189-A193 WeakPolarHBondContact O-CB 3.41Å; I189-A193 PolarHBondContact O-N 3.44Å
190T98.8Very high98.5Very high62 Ų6258 Ų5838%0.3832%0.317SS..Hα-helixtrans-60.3-45175.1-56.90000111.7P186 F187 I188 A193 A194P186-T190 PolarHBondContact O-N 2.86Å; P186-T190 PolarHBondContact O-OG1 3.08Å; F187-T190 WeakPolarHBondContact O-CB 3.47Å; F187-T190 PolarHBondContact O-N 2.75Å; I188-T190 VanDerWaalsContact C-N 3.27Å; I188-T190 PolarHBondContact O-N 3.13Å; T190-A193 PolarHBondContact O-N 2.95Å; T190-A194 PolarHBondContact O-N 2.86Å; T190-A194 VanDerWaalsContact O-N 3.07Å
191A98.7Very high98.4Very high65 Ų6557 Ų5754%0.53731%0.306SS..Hα-helixtrans-65.1-42.8176.300000112.2F187 I188 I189 A193 A194 L195F187-A191 PolarHBondContact O-N 2.59Å; F187-A191 VanDerWaalsContact O-N 3.11Å; I188-A191 PolarHBondContact O-N 3.42Å; I188-A191 VanDerWaalsContact O-N 3.16Å; I189-A191 PolarHBondContact O-N 3.22Å; A191-A193 VanDerWaalsContact C-N 3.32Å; A191-A193 PolarHBondContact O-N 3.39Å; A191-A194 PolarHBondContact O-N 2.6Å; A191-L195 PolarHBondContact O-N 2.77Å
192L98.8Very high98.3Very high33 Ų3359 Ų5917%0.17332%0.317CS..Hα-helixtrans-63.9-36.3175.6-71.6170.7000112.2I118 L119 A122 I188 I189 L195 H196I118-L192 HydrophobicContact CG2-CD1 3.87Å; I118-L192 HydrophobicContact CG2-CD2 4.26Å; L119-L192 HydrophobicContact CD2-CB 3.54Å; L119-L192 HydrophobicContact CD2-CD1 4.48Å; L119-L192 HydrophobicContact CG-CB 4.05Å; A122-L192 HydrophobicContact CB-CD1 4.5Å; I188-L192 HydrophobicContact CG2-CD1 4.06Å; I188-L192 HydrophobicContact CG2-CG 4.42Å; I188-L192 WeakPolarHBondContact O-CG 3.2Å; I188-L192 PolarHBondContact O-N 3.03Å; I189-L192 PolarHBondContact O-N 3.44Å; L192-L195 PolarHBondContact O-N 2.92Å; L192-H196 WeakPolarHBondContact O-CB 3.29Å; L192-H196 PolarHBondContact O-N 3.39Å
193A98.7Very high98.1Very high29 Ų2961.2 Ų61.224%0.2433%0.332CS..Hα-helixtrans-67.6-38.3176.300000111.6L119 I189 T190 A191 L195 H196 L197L119-A193 HydrophobicContact CD2-CB 4.4Å; I189-A193 VanDerWaalsContact O-CB 3.29Å; I189-A193 WeakPolarHBondContact O-CB 3.41Å; I189-A193 PolarHBondContact O-N 3.44Å; T190-A193 PolarHBondContact O-N 2.95Å; A191-A193 VanDerWaalsContact C-N 3.32Å; A191-A193 PolarHBondContact O-N 3.39Å; A193-L195 VanDerWaalsContact C-N 3.35Å; A193-H196 WeakPolarHBondContact O-CB 3.41Å; A193-H196 PolarHBondContact O-N 2.93Å; A193-L197 WeakPolarHBondContact O-CG 3.43Å; A193-L197 PolarHBondContact O-N 2.85Å
194A98.3Very high97.9Very high61 Ų6157.8 Ų57.850%0.50432%0.32SS..Hα-helixtrans-62.4-42.4171.600000111.6T190 A191 L197 L198T190-A194 PolarHBondContact O-N 2.86Å; T190-A194 VanDerWaalsContact O-N 3.07Å; A191-A194 PolarHBondContact O-N 2.6Å; A194-L197 PolarHBondContact O-N 3.45Å; A194-L198 WeakPolarHBondContact O-CB 3.48Å; A194-L198 PolarHBondContact O-N 2.72Å
195L98.4Very high97.9Very high66 Ų6655.4 Ų55.435%0.34631%0.311SS..Hα-helixtrans-64.7-39.7174.7-176.761.4000112.3I115 A191 L192 A193 L197 L198 F199I115-L195 HydrophobicContact CD1-CD2 3.78Å; I115-L195 HydrophobicContact CD1-CG 4.38Å; I115-L195 HydrophobicContact CG1-CD2 4.37Å; I115-L195 HydrophobicContact CG1-CG 4.45Å; A191-L195 PolarHBondContact O-N 2.77Å; L192-L195 PolarHBondContact O-N 2.92Å; A193-L195 VanDerWaalsContact C-N 3.35Å; L195-L197 PolarHBondContact O-N 3.21Å; L195-L198 WeakPolarHBondContact O-CB 3.19Å; L195-L198 PolarHBondContact O-N 3.43Å; L195-F199 HydrophobicContact CD1-CD2 4.06Å; L195-F199 HydrophobicContact CD1-CE2 3.57Å; L195-F199 HydrophobicContact CD1-CZ 4.23Å; L195-F199 HydrophobicContact CD2-CE2 4.29Å; L195-F199 HydrophobicContact CG-CD2 4.07Å; L195-F199 HydrophobicContact CG-CE2 3.76Å; L195-F199 WeakPolarHBondContact O-CD2 3.47Å; L195-F199 PolarHBondContact O-N 3.27Å; L195-F199 VanDerWaalsContact O-N 3.11Å
196H98.6Very high97.8Very high29 Ų2954.2 Ų54.213%0.13431%0.305CS..Hα-helixtrans-59.6-45.9175.5-174.482000111.6T112 I115 L119 L192 A193 L200T112-H196 WeakPolarHBondContact CG2-CE1 3.47Å; T112-H196 PolarHBondContact O-CE1 3.45Å; T112-H196 PolarHBondContact O-ND1 3.21Å; I115-H196 HydrophobicContact CB-CB 4.47Å; I115-H196 HydrophobicContact CG2-CB 3.68Å; L119-H196 HydrophobicContact CD1-CB 3.79Å; L192-H196 WeakPolarHBondContact O-CB 3.29Å; L192-H196 PolarHBondContact O-N 3.39Å; A193-H196 WeakPolarHBondContact O-CB 3.41Å; A193-H196 PolarHBondContact O-N 2.93Å; H196-L200 WeakPolarHBondContact O-CB 2.84Å; H196-L200 PolarHBondContact O-N 3.32Å
197L98.1Very high97.8Very high73 Ų7353.6 Ų53.638%0.38230%0.3SS..Hα-helixtrans-67.8-35.2176.4-70.4175.1000112.4A193 A194 L195 L200 H201A193-L197 WeakPolarHBondContact O-CG 3.43Å; A193-L197 PolarHBondContact O-N 2.85Å; A194-L197 PolarHBondContact O-N 3.45Å; L195-L197 PolarHBondContact O-N 3.21Å; L197-L200 HydrophobicContact CD2-CD2 4.12Å; L197-L200 WeakPolarHBondContact O-CB 3Å; L197-L200 PolarHBondContact O-N 2.71Å; L197-H201 WeakPolarHBondContact O-CB 3.39Å; L197-H201 PolarHBondContact O-CD2 2.88Å; L197-H201 PolarHBondContact O-N 2.94Å
198L97.5Very high97.8Very high92 Ų9249.8 Ų49.848%0.48229%0.285SS..Hα-helixtrans-58.6-52.9174.8-176.6150.1000110.9A194 L195 L200 H201 E202A194-L198 WeakPolarHBondContact O-CB 3.48Å; A194-L198 PolarHBondContact O-N 2.72Å; L195-L198 WeakPolarHBondContact O-CB 3.19Å; L195-L198 PolarHBondContact O-N 3.43Å; L198-L200 VanDerWaalsContact C-N 3.29Å; L198-L200 PolarHBondContact O-N 2.93Å; L198-H201 PolarHBondContact O-N 3.41Å; L198-H201 VanDerWaalsContact O-N 3.07Å; L198-E202 PolarHBondContact O-N 3.17Å
199F98.2Very high97.8Very high66 Ų6648.7 Ų48.729%0.28928%0.28SS..Hα-helixtrans-63.7-34.2176.7-73.6-59.9000112.9E111 T112 I115 L195 H201 E202E111-F199 HydrophobicContact CB-CB 4.06Å; E111-F199 HydrophobicContact CB-CD1 3.65Å; E111-F199 HydrophobicContact CB-CD2 4.02Å; E111-F199 HydrophobicContact CB-CE1 4.02Å; E111-F199 HydrophobicContact CB-CE2 4.35Å; E111-F199 HydrophobicContact CB-CG 3.65Å; E111-F199 HydrophobicContact CB-CZ 4.35Å; E111-F199 HydrophobicContact CG-CD1 4.09Å; E111-F199 HydrophobicContact CG-CE1 4.09Å; T112-F199 WeakPolarHBondContact OG1-CB 3.35Å; I115-F199 HydrophobicContact CG1-CD2 4.04Å; I115-F199 HydrophobicContact CG1-CE2 4.12Å; L195-F199 HydrophobicContact CD1-CD2 4.06Å; L195-F199 HydrophobicContact CD1-CE2 3.57Å; L195-F199 HydrophobicContact CD1-CZ 4.23Å; L195-F199 HydrophobicContact CD2-CE2 4.29Å; L195-F199 HydrophobicContact CG-CD2 4.07Å; L195-F199 HydrophobicContact CG-CE2 3.76Å; L195-F199 WeakPolarHBondContact O-CD2 3.47Å; L195-F199 PolarHBondContact O-N 3.27Å; L195-F199 VanDerWaalsContact O-N 3.11Å; F199-H201 VanDerWaalsContact C-N 3.31Å; F199-H201 PolarHBondContact O-N 3.24Å; F199-E202 PolarHBondContact O-N 3.38Å
200L97.8Very high97.7Very high35 Ų3549 Ų4918%0.18328%0.284CS..Hα-helixtrans-63-38.4173.1178.464.9000111.7T112 H196 L197 L198 E202 T203 G204T112-L200 HydrophobicContact CG2-CB 4.18Å; T112-L200 HydrophobicContact CG2-CD1 4.49Å; T112-L200 PolarHBondContact OG1-N 2.82Å; H196-L200 WeakPolarHBondContact O-CB 2.84Å; H196-L200 PolarHBondContact O-N 3.32Å; L197-L200 HydrophobicContact CD2-CD2 4.12Å; L197-L200 WeakPolarHBondContact O-CB 3Å; L197-L200 PolarHBondContact O-N 2.71Å; L198-L200 VanDerWaalsContact C-N 3.29Å; L198-L200 PolarHBondContact O-N 2.93Å; L200-E202 VanDerWaalsContact C-N 3.33Å; L200-E202 PolarHBondContact O-N 2.91Å; L200-T203 PolarHBondContact O-N 3.48Å; L200-T203 PolarHBondContact O-OG1 2.84Å; L200-G204 VanDerWaalsContact O-CA 3.31Å; L200-G204 WeakPolarHBondContact O-CA 3.3Å; L200-G204 PolarHBondContact O-N 3.44Å
201H96.6Very high97.6Very high62 Ų6250.9 Ų50.929%0.28729%0.291SS..Hα-helixtrans-73.8-22.3-178.1-70.7-179.9000113.3L197 L198 F199 T203L197-H201 WeakPolarHBondContact O-CB 3.39Å; L197-H201 PolarHBondContact O-CD2 2.88Å; L197-H201 PolarHBondContact O-N 2.94Å; L198-H201 PolarHBondContact O-N 3.41Å; L198-H201 VanDerWaalsContact O-N 3.07Å; F199-H201 VanDerWaalsContact C-N 3.31Å; F199-H201 PolarHBondContact O-N 3.24Å; H201-T203 VanDerWaalsContact C-N 3.32Å; H201-T203 PolarHBondContact O-N 3.44Å
202E96Very high97.5Very high151 Ų15152.5 Ų52.571%0.70629%0.294SS*.Hα-helixtrans-61.9-38.9171.9-67.6-60.8134.100112.1L198 F199 L200L198-E202 PolarHBondContact O-N 3.17Å; F199-E202 PolarHBondContact O-N 3.38Å; L200-E202 VanDerWaalsContact C-N 3.33Å; L200-E202 PolarHBondContact O-N 2.91Å
203T94.3Very high97.3Very high73 Ų7351.7 Ų51.745%0.44829%0.291SS..Hα-helixtrans-101-27.9-177.954.90000113.1Y109 L200 H201Y109-T203 HydrophobicContact CD1-CG2 4.19Å; Y109-T203 HydrophobicContact CE1-CG2 4.47Å; L200-T203 PolarHBondContact O-N 3.48Å; L200-T203 PolarHBondContact O-OG1 2.84Å; H201-T203 VanDerWaalsContact C-N 3.32Å; H201-T203 PolarHBondContact O-N 3.44Å
204G95.6Very high97.1Very high10 Ų1057.2 Ų57.210%0.10331%0.312CS..  trans79.2170-166.600000112.6L200L200-G204 VanDerWaalsContact O-CA 3.31Å; L200-G204 WeakPolarHBondContact O-CA 3.3Å; L200-G204 PolarHBondContact O-N 3.44Å
205S97.2Very high97Very high30 Ų3060.1 Ų60.121%0.2133%0.328CS..  trans-66.8139.5178.8-73.20000112.6P24P24-S205 VanDerWaalsContact CG-O 3.22Å; P24-S205 WeakPolarHBondContact CG-O 2.96Å
206N98Very high97Very high5 Ų561 Ų613%0.02733%0.333CS..  trans-64.4173.4159.5-173.321.5000110.2I27 W31 Y104 S106 Y109 Q313I27-N206 WeakPolarHBondContact CG2-O 3.38Å; W31-N206 VanDerWaalsContact CE2-O 3.29Å; W31-N206 HydrophobicContact CZ2-CB 4.36Å; W31-N206 VanDerWaalsContact CZ2-O 3.3Å; W31-N206 WeakPolarHBondContact CZ2-O 3.33Å; W31-N206 PolarHBondContact NE1-O 3.3Å; Y104-N206 PolarHBondContact O-ND2 3.38Å; S106-N206 PolarHBondContact OG-ND2 2.8Å; Y109-N206 HydrophobicContact CE2-CB 3.63Å; N206-Q313 PolarHBondContact ND2-NE2 3.11Å
207N98.6Very high96.9Very high4 Ų462.9 Ų62.92%0.02134%0.341CS..  trans-140.6166.817670.185.1000112.8P24 N26 I27 L209 G210 I211P24-N207 HydrophobicContact CB-CB 3.85Å; P24-N207 HydrophobicContact CG-CB 4.15Å; N26-N207 PolarHBondContact ND2-OD1 2.91Å; N26-N207 WeakPolarHBondContact OD1-CB 3.49Å; I27-N207 HydrophobicContact CG2-CB 4.13Å; N207-L209 PolarHBondContact O-N 3.33Å; N207-L209 VanDerWaalsContact O-N 3.12Å; N207-L209 WeakPolarHBondContact OD1-CB 3.36Å; N207-L209 PolarHBondContact OD1-N 3.46Å; N207-L209 VanDerWaalsContact OD1-N 3.11Å; N207-G210 PolarHBondContact O-N 2.8Å; N207-I211 PolarHBondContact ND2-O 2.81Å
208P98.6Very high96.9Very high13 Ų1361.3 Ų61.38%0.08433%0.332CS..THydrogen-bonded Turntrans-56.4-32.2-173.9-30.337.4000115.6N26 W31 Y104 G210 S314 M316N26-P208 VanDerWaalsContact O-CD 3.27Å; N26-P208 WeakPolarHBondContact O-CD 3.32Å; N26-P208 WeakPolarHBondContact O-CG 3.43Å; W31-P208 HydrophobicContact CH2-CG 4Å; W31-P208 HydrophobicContact CZ3-CG 3.8Å; Y104-P208 VanDerWaalsContact CD1-CA 3.49Å; Y104-P208 HydrophobicContact CD1-CB 4.21Å; Y104-P208 WeakPolarHBondContact CD1-O 3.48Å; Y104-P208 VanDerWaalsContact CE1-CA 3.49Å; Y104-P208 HydrophobicContact CE1-CB 3.66Å; Y104-P208 HydrophobicContact CE1-CG 4.4Å; P208-G210 VanDerWaalsContact C-N 3.3Å; P208-G210 PolarHBondContact O-N 2.68Å; P208-S314 WeakPolarHBondContact O-CB 3.42Å; P208-S314 PolarHBondContact O-OG 3.41Å; P208-M316 HydrophobicContact CB-SD 4.23Å
209L98.1Very high96.9Very high57 Ų5759.9 Ų59.930%0.29833%0.328SS..THydrogen-bonded Turntrans-75.7-19.4-178.1-59.1171.5000112.5N26 N207 I211 M316 F317N26-L209 WeakPolarHBondContact ND2-CD1 3.48Å; N207-L209 PolarHBondContact O-N 3.33Å; N207-L209 VanDerWaalsContact O-N 3.12Å; N207-L209 WeakPolarHBondContact OD1-CB 3.36Å; N207-L209 PolarHBondContact OD1-N 3.46Å; N207-L209 VanDerWaalsContact OD1-N 3.11Å; L209-I211 HydrophobicContact CB-CD1 4.3Å; L209-I211 HydrophobicContact CB-CG1 3.81Å; L209-I211 HydrophobicContact CD1-CD1 4.19Å; L209-I211 HydrophobicContact CD1-CG1 4.4Å; L209-I211 PolarHBondContact O-N 3.36Å; L209-M316 HydrophobicContact CD2-CE 3.83Å; L209-M316 HydrophobicContact CD2-SD 3.7Å; L209-F317 HydrophobicContact CB-CE2 4.49Å; L209-F317 HydrophobicContact CD2-CE2 4.02Å; L209-F317 HydrophobicContact CD2-CZ 3.64Å
210G97.1Very high96.9Very high12 Ų1258.3 Ų58.312%0.12432%0.321CS..  trans6426.3-17700000113.9N207 P208N207-G210 PolarHBondContact O-N 2.8Å; P208-G210 VanDerWaalsContact C-N 3.3Å; P208-G210 PolarHBondContact O-N 2.68Å
211I96.6Very high96.9Very high103 Ų10361.3 Ų61.353%0.52833%0.334SS..SBendtrans-117.1163.1173.260.8172.3000109.7N207 L209 S213N207-I211 PolarHBondContact ND2-O 2.81Å; L209-I211 HydrophobicContact CB-CD1 4.3Å; L209-I211 HydrophobicContact CB-CG1 3.81Å; L209-I211 HydrophobicContact CD1-CD1 4.19Å; L209-I211 HydrophobicContact CD1-CG1 4.4Å; L209-I211 PolarHBondContact O-N 3.36Å; I211-S213 PolarHBondContact O-N 3.32Å
212T96.1Very high97Very high98 Ų9861.5 Ų61.560%0.60134%0.34SS*.  trans-58.7135.7176.4-177.60000111.7H214T212-H214 PolarHBondContact OG1-CD2 3.3Å; T212-H214 PolarHBondContact OG1-N 2.91Å
213S95.9Very high97.1Very high16 Ų1660.6 Ų60.611%0.11233%0.331CS..  trans-107.114178.479.20000112.8P24 I211 S215 D216 K217P24-S213 WeakPolarHBondContact CB-OG 3.31Å; P24-S213 WeakPolarHBondContact CG-OG 3.47Å; I211-S213 PolarHBondContact O-N 3.32Å; S213-S215 PolarHBondContact O-N 3.04Å; S213-D216 CarbonylContact O-C 3.6Å; S213-D216 VanDerWaalsContact O-C 3.26Å; S213-D216 PolarHBondContact O-N 3.3Å; S213-K217 VanDerWaalsContact O-CG 3.27Å; S213-K217 WeakPolarHBondContact O-CG 3.33Å
214H94.6Very high97.3Very high146 Ų14657.6 Ų57.668%0.67631%0.312SS*.THydrogen-bonded Turntrans-58.9-30.7-176.5-71.7-59.9000113.1T212 D216T212-H214 PolarHBondContact OG1-CD2 3.3Å; T212-H214 PolarHBondContact OG1-N 2.91Å; H214-D216 VanDerWaalsContact C-N 3.26Å; H214-D216 PolarHBondContact O-N 3.4Å
215S95.9Very high97.4Very high121 Ų12159.3 Ų59.385%0.84632%0.321SS*.THydrogen-bonded Turntrans-70.2-20.3177.355.50000113.8S213S213-S215 PolarHBondContact O-N 3.04Å
216D97.3Very high97.5Very high84 Ų8463.5 Ų63.545%0.44934%0.34SS..SBendtrans-146.182.1-177-172.718.3000111.3S25 S213 H214S25-D216 VanDerWaalsContact CB-OD2 3.3Å; S25-D216 WeakPolarHBondContact CB-OD2 3.38Å; S25-D216 PolarHBondContact N-O 3.47Å; S25-D216 PolarHBondContact OG-OD2 2.99Å; S213-D216 CarbonylContact O-C 3.6Å; S213-D216 VanDerWaalsContact O-C 3.26Å; S213-D216 PolarHBondContact O-N 3.3Å; H214-D216 VanDerWaalsContact C-N 3.26Å; H214-D216 PolarHBondContact O-N 3.4Å
217K97.8Very high97.5Very high69 Ų6965.8 Ų65.830%0.335%0.349SS..EExtended strand (participates in β ladder)trans-112.8140.2169.9-64.4-165.1176.2-171.10110P22 T23 S213P22-K217 HydrophobicContact CB-CB 4.13Å; P22-K217 HydrophobicContact CB-CD 3.64Å; T23-K217 WeakPolarHBondContact O-CA 3.37Å; S213-K217 VanDerWaalsContact O-CG 3.27Å; S213-K217 WeakPolarHBondContact O-CG 3.33Å
218I98.1Very high97.5Very high40 Ų4067.1 Ų67.121%0.20536%0.356CS..EExtended strand (participates in β ladder)trans-111.6158.1171.162.7-178.4000109.5T23 Y223 Y224T23-I218 PolarHBondContact N-O 3.32Å; T23-I218 PolarHBondContact O-N 3.22Å; I218-Y223 HydrophobicContact CB-CD2 4.08Å; I218-Y223 HydrophobicContact CB-CE2 4.24Å; I218-Y223 HydrophobicContact CD1-CD1 4.32Å; I218-Y223 HydrophobicContact CD1-CD2 3.82Å; I218-Y223 HydrophobicContact CD1-CE2 4.49Å; I218-Y223 HydrophobicContact CD1-CG 3.71Å; I218-Y223 HydrophobicContact CG1-CD2 4.19Å; I218-Y224 HydrophobicContact CD1-CE2 3.7Å; I218-Y224 HydrophobicContact CG1-CE2 3.74Å
219T97.4Very high97.5Very high62 Ų6269 Ų6938%0.3837%0.373SS..EExtended strand (participates in β ladder)trans-68.6145.2172.650.80000110.4H221T219-H221 WeakPolarHBondContact CB-O 3.45Å; T219-H221 PolarHBondContact O-N 2.94Å; T219-H221 PolarHBondContact OG1-O 3.44Å
220F98.3Very high97.6Very high33 Ų3371.1 Ų71.115%0.14538%0.384CS..SBendtrans-60.4-44.9179.3-170.1-83.9000112.3F18 I19 L21 P222 Y223 Y224 T225F18-F220 WeakPolarHBondContact O-CD1 3.25Å; I19-F220 PolarHBondContact O-N 3.07Å; L21-F220 HydrophobicContact CB-CB 3.93Å; L21-F220 HydrophobicContact CD2-CD2 4.25Å; L21-F220 PolarHBondContact O-N 3.34Å; F220-P222 CarbonylContact O-C 3.57Å; F220-Y223 PolarHBondContact O-N 3.11Å; F220-Y224 VanDerWaalsContact CD2-CB 3.49Å; F220-Y224 HydrophobicContact CD2-CD2 4.17Å; F220-Y224 HydrophobicContact CD2-CG 4.15Å; F220-Y224 HydrophobicContact CE2-CG 4.21Å; F220-Y224 WeakPolarHBondContact O-CA 3.38Å; F220-Y224 PolarHBondContact O-N 3.07Å; F220-T225 HydrophobicContact CD1-CG2 3.67Å; F220-T225 HydrophobicContact CE1-CG2 3.68Å; F220-T225 PolarHBondContact O-N 2.94Å
221H98Very high97.6Very high98 Ų9871.1 Ų71.145%0.45438%0.384SS..THydrogen-bonded Turntrans-89.7134.3169.5-174.671.6000110.7I19 T219 T225I19-H221 HydrophobicContact CG2-CB 4.07Å; I19-H221 PolarHBondContact O-N 3.21Å; T219-H221 WeakPolarHBondContact CB-O 3.45Å; T219-H221 PolarHBondContact O-N 2.94Å; T219-H221 PolarHBondContact OG1-O 3.44Å; H221-T225 HydrophobicContact CB-CG2 3.97Å; H221-T225 PolarHBondContact ND1-OG1 3.32Å
222P97.9Very high97.7Very high66 Ų6669.4 Ų69.443%0.42938%0.375SS..THydrogen-bonded Turncis-88.5-15.81.535.1-35.3000114.9F220 Y224 T225 I226F220-P222 CarbonylContact O-C 3.57Å; P222-Y224 PolarHBondContact O-N 3.39Å; P222-T225 VanDerWaalsContact C-OG1 3.27Å; P222-T225 WeakPolarHBondContact CA-OG1 3.48Å; P222-T225 PolarHBondContact O-N 2.9Å; P222-T225 PolarHBondContact O-OG1 2.92Å; P222-I226 WeakPolarHBondContact O-CG2 3.44Å; P222-I226 PolarHBondContact O-N 3.14Å
223Y98.4Very high97.9Very high132 Ų13270 Ų7052%0.51837%0.374SS..Hα-helixtrans-57.7-53-163.9-61.7-76.4000114.2I218 F220 I226 K227I218-Y223 HydrophobicContact CB-CD2 4.08Å; I218-Y223 HydrophobicContact CB-CE2 4.24Å; I218-Y223 HydrophobicContact CD1-CD1 4.32Å; I218-Y223 HydrophobicContact CD1-CD2 3.82Å; I218-Y223 HydrophobicContact CD1-CE2 4.49Å; I218-Y223 HydrophobicContact CD1-CG 3.71Å; I218-Y223 HydrophobicContact CG1-CD2 4.19Å; F220-Y223 PolarHBondContact O-N 3.11Å; Y223-I226 VanDerWaalsContact O-CG2 3.29Å; Y223-I226 WeakPolarHBondContact O-CG2 3.46Å; Y223-K227 WeakPolarHBondContact O-CB 3.21Å; Y223-K227 PolarHBondContact O-N 2.96Å
224Y98.3Very high98Very high10 Ų1074.1 Ų74.14%0.03940%0.395CS..Hα-helixtrans-83.9-25.8-179.7-66.5-60.9000112.3T23 P24 S25 I27 I218 F220 P222 I226 K227 D228T23-Y224 HydrophobicContact CG2-CD2 3.51Å; T23-Y224 HydrophobicContact CG2-CE2 3.31Å; T23-Y224 HydrophobicContact CG2-CG 4.34Å; P24-Y224 PolarHBondContact O-OH 2.67Å; S25-Y224 VanDerWaalsContact C-OH 3.25Å; S25-Y224 PolarHBondContact O-OH 3.29Å; S25-Y224 VanDerWaalsContact O-OH 3.13Å; I27-Y224 HydrophobicContact CD1-CD1 3.83Å; I27-Y224 HydrophobicContact CD1-CD2 4.49Å; I27-Y224 HydrophobicContact CD1-CE1 3.54Å; I27-Y224 HydrophobicContact CD1-CE2 4.19Å; I27-Y224 HydrophobicContact CD1-CG 4.33Å; I27-Y224 HydrophobicContact CG1-CD1 4.02Å; I27-Y224 HydrophobicContact CG1-CE1 3.22Å; I27-Y224 HydrophobicContact CG1-CE2 4.2Å; I27-Y224 VanDerWaalsContact CG1-OH 3.28Å; I27-Y224 WeakPolarHBondContact CG1-OH 3.31Å; I218-Y224 HydrophobicContact CD1-CE2 3.7Å; I218-Y224 HydrophobicContact CG1-CE2 3.74Å; F220-Y224 VanDerWaalsContact CD2-CB 3.49Å; F220-Y224 HydrophobicContact CD2-CD2 4.17Å; F220-Y224 HydrophobicContact CD2-CG 4.15Å; F220-Y224 HydrophobicContact CE2-CG 4.21Å; F220-Y224 WeakPolarHBondContact O-CA 3.38Å; F220-Y224 PolarHBondContact O-N 3.07Å; P222-Y224 PolarHBondContact O-N 3.39Å; Y224-I226 PolarHBondContact O-N 3.32Å; Y224-K227 HydrophobicContact CD1-CD 3.93Å; Y224-K227 HydrophobicContact CE1-CD 4.04Å; Y224-K227 PolarHBondContact O-N 3.46Å; Y224-D228 WeakPolarHBondContact O-CB 3.29Å; Y224-D228 VanDerWaalsContact O-CG 3.32Å; Y224-D228 PolarHBondContact O-N 3.35Å
225T98.3Very high98.2Very high47 Ų4767.8 Ų67.829%0.28837%0.365SS..Hα-helixtrans-61.2-43.7170.354.20000112.6F220 H221 P222 A229F220-T225 HydrophobicContact CD1-CG2 3.67Å; F220-T225 HydrophobicContact CE1-CG2 3.68Å; F220-T225 PolarHBondContact O-N 2.94Å; H221-T225 HydrophobicContact CB-CG2 3.97Å; H221-T225 PolarHBondContact ND1-OG1 3.32Å; P222-T225 VanDerWaalsContact C-OG1 3.27Å; P222-T225 WeakPolarHBondContact CA-OG1 3.48Å; P222-T225 PolarHBondContact O-N 2.9Å; P222-T225 PolarHBondContact O-OG1 2.92Å; T225-A229 WeakPolarHBondContact O-CB 3.48Å; T225-A229 PolarHBondContact O-N 3.17Å
226I98.4Very high98.3Very high118 Ų11865.8 Ų65.861%0.60534%0.344SS*.Hα-helixtrans-74.1-36.7179.1-168.361.5000111.6P222 Y223 Y224 A229 L230P222-I226 WeakPolarHBondContact O-CG2 3.44Å; P222-I226 PolarHBondContact O-N 3.14Å; Y223-I226 VanDerWaalsContact O-CG2 3.29Å; Y223-I226 WeakPolarHBondContact O-CG2 3.46Å; Y224-I226 PolarHBondContact O-N 3.32Å; I226-A229 PolarHBondContact O-N 3.25Å; I226-L230 PolarHBondContact O-N 3.22Å
227K98.6Very high98.4Very high52 Ų5266.8 Ų66.823%0.22635%0.349CS..Hα-helixtrans-64.5-40.9175.3-174.1-178.1164.2-146.70111.6I27 S28 N32 Y223 Y224 L230 G231I27-K227 PolarHBondContact O-NZ 3.36Å; S28-K227 VanDerWaalsContact C-NZ 3.26Å; S28-K227 PolarHBondContact O-NZ 2.9Å; N32-K227 PolarHBondContact ND2-O 3.48Å; N32-K227 VanDerWaalsContact ND2-O 3.09Å; N32-K227 WeakPolarHBondContact OD1-CE 3.38Å; N32-K227 PolarHBondContact OD1-NZ 2.95Å; Y223-K227 WeakPolarHBondContact O-CB 3.21Å; Y223-K227 PolarHBondContact O-N 2.96Å; Y224-K227 HydrophobicContact CD1-CD 3.93Å; Y224-K227 HydrophobicContact CE1-CD 4.04Å; Y224-K227 PolarHBondContact O-N 3.46Å; K227-L230 PolarHBondContact O-N 2.86Å; K227-G231 PolarHBondContact O-N 3.22Å
228D98.6Very high98.4Very high33 Ų3365.9 Ų65.918%0.17635%0.351CS..Hα-helixtrans-69.6-37176.3-78.911000111.7N32 S35 Y224 L230 G231 L232N32-D228 PolarHBondContact ND2-OD1 3.01Å; S35-D228 WeakPolarHBondContact CB-OD2 3.39Å; S35-D228 PolarHBondContact OG-OD2 3.39Å; Y224-D228 WeakPolarHBondContact O-CB 3.29Å; Y224-D228 VanDerWaalsContact O-CG 3.32Å; Y224-D228 PolarHBondContact O-N 3.35Å; D228-L230 VanDerWaalsContact C-N 3.33Å; D228-L230 PolarHBondContact O-N 2.98Å; D228-G231 PolarHBondContact O-N 3.15Å; D228-L232 WeakPolarHBondContact O-CB 3.39Å; D228-L232 PolarHBondContact O-N 2.97Å
229A98.6Very high98.5Very high52 Ų5264.3 Ų64.343%0.4334%0.343SS..Hα-helixtrans-60.5-40.6172.400000112.3T225 I226 L232 L233T225-A229 WeakPolarHBondContact O-CB 3.48Å; T225-A229 PolarHBondContact O-N 3.17Å; I226-A229 PolarHBondContact O-N 3.25Å; A229-L232 PolarHBondContact O-N 3.11Å; A229-L233 PolarHBondContact O-N 3.08Å
230L98.7Very high98.5Very high102 Ų10264 Ų6453%0.53434%0.338SS..Hα-helixtrans-63-45.3172.7176.462.7000111.7I226 K227 D228 L232 L233 L234I226-L230 PolarHBondContact O-N 3.22Å; K227-L230 PolarHBondContact O-N 2.86Å; D228-L230 VanDerWaalsContact C-N 3.33Å; D228-L230 PolarHBondContact O-N 2.98Å; L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 PolarHBondContact O-N 2.85Å; L230-L233 WeakPolarHBondContact O-CB 3.17Å; L230-L233 PolarHBondContact O-N 2.99Å; L230-L234 WeakPolarHBondContact O-CG 3.16Å; L230-L234 PolarHBondContact O-N 3.19Å; L230-L234 VanDerWaalsContact O-N 3.08Å
231G98.6Very high98.5Very high12 Ų1265.6 Ų65.612%0.12435%0.351CS..Hα-helixtrans-57.9-44.1175.400000112.2K227 D228 L234 F235K227-G231 PolarHBondContact O-N 3.22Å; D228-G231 PolarHBondContact O-N 3.15Å; G231-L234 PolarHBondContact O-N 2.82Å; G231-F235 WeakPolarHBondContact O-CB 3.47Å; G231-F235 PolarHBondContact O-N 3.39Å
232L98.8Very high98.6Very high66 Ų6661.9 Ų61.935%0.34633%0.334SS..Hα-helixtrans-63.9-40.2176.9-178.462.3000112.1A39 D228 A229 L230 F235 I236A39-L232 HydrophobicContact CB-CD1 3.72Å; D228-L232 WeakPolarHBondContact O-CB 3.39Å; D228-L232 PolarHBondContact O-N 2.97Å; A229-L232 PolarHBondContact O-N 3.11Å; L230-L232 VanDerWaalsContact C-N 3.31Å; L230-L232 PolarHBondContact O-N 2.85Å; L232-F235 HydrophobicContact CD1-CD1 4.21Å; L232-F235 WeakPolarHBondContact O-CB 3.19Å; L232-F235 PolarHBondContact O-N 3.24Å; L232-I236 HydrophobicContact CD1-CD1 4.13Å; L232-I236 HydrophobicContact CD1-CG1 4.25Å; L232-I236 HydrophobicContact CG-CD1 3.94Å; L232-I236 HydrophobicContact CG-CG1 4.45Å; L232-I236 VanDerWaalsContact O-CG1 3.31Å; L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.49Å
233L98.8Very high98.6Very high111 Ų11158.8 Ų58.858%0.58131%0.314SS*.Hα-helixtrans-60.5-46.2175.8179.265.3000111.4A229 L230 I236 L237A229-L233 PolarHBondContact O-N 3.08Å; L230-L233 WeakPolarHBondContact O-CB 3.17Å; L230-L233 PolarHBondContact O-N 2.99Å; L233-I236 PolarHBondContact O-N 3.07Å; L233-L237 WeakPolarHBondContact O-CB 3.32Å; L233-L237 PolarHBondContact O-N 3.45Å
234L98.7Very high98.6Very high103 Ų10356.4 Ų56.454%0.53931%0.31SS..Hα-helixtrans-64.9-40.1177.1-66.3176.3000111.8L230 G231 L237 S238L230-L234 WeakPolarHBondContact O-CG 3.16Å; L230-L234 PolarHBondContact O-N 3.19Å; L230-L234 VanDerWaalsContact O-N 3.08Å; G231-L234 PolarHBondContact O-N 2.82Å; L234-L237 PolarHBondContact O-N 3.09Å; L234-S238 PolarHBondContact O-N 3.42Å; L234-S238 PolarHBondContact O-OG 2.91Å
235F98.6Very high98.6Very high13 Ų1363.9 Ų63.96%0.05734%0.343CS..Hα-helixtrans-58.4-52.7173.3170.3-90.5000111.4L36 C40 M89 G231 L232 L237 S238 L239L36-F235 HydrophobicContact CD2-CB 3.67Å; L36-F235 HydrophobicContact CD2-CD2 4.42Å; L36-F235 HydrophobicContact CD2-CG 4.08Å; C40-F235 WeakPolarHBondContact SG-CE2 3.47Å; C40-F235 WeakPolarHBondContact SG-CZ 3.48Å; M89-F235 HydrophobicContact CB-CE2 3.71Å; M89-F235 HydrophobicContact CB-CZ 4.12Å; M89-F235 HydrophobicContact CE-CD2 3.98Å; M89-F235 HydrophobicContact CE-CE2 4.06Å; M89-F235 HydrophobicContact CG-CE2 4.44Å; G231-F235 WeakPolarHBondContact O-CB 3.47Å; G231-F235 PolarHBondContact O-N 3.39Å; L232-F235 HydrophobicContact CD1-CD1 4.21Å; L232-F235 WeakPolarHBondContact O-CB 3.19Å; L232-F235 PolarHBondContact O-N 3.24Å; F235-L237 VanDerWaalsContact C-N 3.31Å; F235-L237 PolarHBondContact O-N 3.43Å; F235-S238 PolarHBondContact O-N 3.25Å; F235-S238 PolarHBondContact O-OG 3.46Å; F235-L239 HydrophobicContact CE1-CD2 4.08Å; F235-L239 HydrophobicContact CZ-CD2 4.31Å; F235-L239 WeakPolarHBondContact O-CB 3.44Å; F235-L239 PolarHBondContact O-N 2.79Å
236I98.7Very high98.6Very high78 Ų7863.7 Ų63.740%0.434%0.343SS..Hα-helixtrans-60.1-43.8179.1-68.2169.2000110L232 L233 S238 L239 M240L232-I236 HydrophobicContact CD1-CD1 4.13Å; L232-I236 HydrophobicContact CD1-CG1 4.25Å; L232-I236 HydrophobicContact CG-CD1 3.94Å; L232-I236 HydrophobicContact CG-CG1 4.45Å; L232-I236 VanDerWaalsContact O-CG1 3.31Å; L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.49Å; L233-I236 PolarHBondContact O-N 3.07Å; I236-S238 VanDerWaalsContact C-N 3.34Å; I236-S238 PolarHBondContact O-N 3.45Å; I236-L239 PolarHBondContact O-N 2.91Å; I236-M240 HydrophobicContact CG2-CG 3.87Å; I236-M240 VanDerWaalsContact O-CB 3.27Å; I236-M240 WeakPolarHBondContact O-CB 3.47Å; I236-M240 WeakPolarHBondContact O-CG 3.39Å; I236-M240 PolarHBondContact O-N 3.34Å
237L98.7Very high98.6Very high106 Ų10659.6 Ų59.656%0.55533%0.325SS*.Hα-helixtrans-57.5-46.9177.2-179.963.8000111.6L233 L234 F235 T241L233-L237 WeakPolarHBondContact O-CB 3.32Å; L233-L237 PolarHBondContact O-N 3.45Å; L234-L237 PolarHBondContact O-N 3.09Å; F235-L237 VanDerWaalsContact C-N 3.31Å; F235-L237 PolarHBondContact O-N 3.43Å; L237-T241 VanDerWaalsContact O-CB 3.31Å; L237-T241 WeakPolarHBondContact O-CB 3.45Å; L237-T241 PolarHBondContact O-N 3.34Å; L237-T241 PolarHBondContact O-OG1 3.26Å
238S98.6Very high98.6Very high50 Ų5060.7 Ų60.735%0.3533%0.333SS..Hα-helixtrans-64.6-46.1178.6670000112.5M89 L234 F235 I236 M240 T241 L242M89-S238 WeakPolarHBondContact CE-OG 3.38Å; L234-S238 PolarHBondContact O-N 3.42Å; L234-S238 PolarHBondContact O-OG 2.91Å; F235-S238 PolarHBondContact O-N 3.25Å; F235-S238 PolarHBondContact O-OG 3.46Å; I236-S238 VanDerWaalsContact C-N 3.34Å; I236-S238 PolarHBondContact O-N 3.45Å; S238-M240 PolarHBondContact O-N 3.47Å; S238-T241 PolarHBondContact O-N 2.93Å; S238-L242 PolarHBondContact O-N 3.31Å
239L98.8Very high98.6Very high6 Ų665 Ų653%0.03136%0.355CS..Hα-helixtrans-62.9-44.5178.7173.864.4000111.5L43 L82 N85 M89 F235 I236 T241 L242 T243L43-L239 HydrophobicContact CD2-CD2 3.41Å; L43-L239 VanDerWaalsContact CD2-CD2 3.41Å; L82-L239 HydrophobicContact CD2-CD2 3.89Å; L82-L239 HydrophobicContact CD2-CG 4.02Å; N85-L239 HydrophobicContact CB-CD1 3.91Å; M89-L239 HydrophobicContact CG-CB 4.36Å; M89-L239 HydrophobicContact CG-CD1 3.89Å; F235-L239 HydrophobicContact CE1-CD2 4.08Å; F235-L239 HydrophobicContact CZ-CD2 4.31Å; F235-L239 WeakPolarHBondContact O-CB 3.44Å; F235-L239 PolarHBondContact O-N 2.79Å; I236-L239 PolarHBondContact O-N 2.91Å; L239-T241 VanDerWaalsContact C-N 3.35Å; L239-L242 PolarHBondContact O-N 3.48Å; L239-T243 WeakPolarHBondContact O-CB 3.46Å; L239-T243 PolarHBondContact O-N 2.83Å; L239-T243 PolarHBondContact O-OG1 2.94Å
240M98.6Very high98.5Very high57 Ų5765.1 Ų65.128%0.28135%0.348SS..Hα-helixtrans-68.5-36.8179.2-68.5-57.7-61.500111.2I78 L82 I236 S238 T243 L244I78-M240 HydrophobicContact CD1-CE 4.27Å; L82-M240 HydrophobicContact CD2-SD 3.87Å; I236-M240 HydrophobicContact CG2-CG 3.87Å; I236-M240 VanDerWaalsContact O-CB 3.27Å; I236-M240 WeakPolarHBondContact O-CB 3.47Å; I236-M240 WeakPolarHBondContact O-CG 3.39Å; I236-M240 PolarHBondContact O-N 3.34Å; S238-M240 PolarHBondContact O-N 3.47Å; M240-T243 PolarHBondContact O-N 3.23Å; M240-L244 HydrophobicContact CE-CD1 3.7Å; M240-L244 HydrophobicContact CE-CD2 4.26Å; M240-L244 HydrophobicContact CE-CG 3.97Å; M240-L244 VanDerWaalsContact O-CB 3.23Å; M240-L244 WeakPolarHBondContact O-CB 3.36Å; M240-L244 VanDerWaalsContact O-CG 3.24Å; M240-L244 WeakPolarHBondContact O-CG 3.25Å; M240-L244 PolarHBondContact O-N 2.94Å
241T98.7Very high98.4Very high66 Ų6662.3 Ų62.341%0.40534%0.344SS..Hα-helixtrans-61.8-49.1175.2-58.10000110.3L237 S238 L239 F245L237-T241 VanDerWaalsContact O-CB 3.31Å; L237-T241 WeakPolarHBondContact O-CB 3.45Å; L237-T241 PolarHBondContact O-N 3.34Å; L237-T241 PolarHBondContact O-OG1 3.26Å; S238-T241 PolarHBondContact O-N 2.93Å; L239-T241 VanDerWaalsContact C-N 3.35Å; T241-F245 HydrophobicContact CG2-CD2 4.09Å; T241-F245 WeakPolarHBondContact O-CB 3.33Å; T241-F245 WeakPolarHBondContact O-CD2 3.29Å; T241-F245 PolarHBondContact O-N 3.2Å
242L98.5Very high98.3Very high20 Ų2062.7 Ų62.711%0.10534%0.343CS..Hα-helixtrans-59.4-49.2176179.162.2000111.3N85 S238 L239 L244 S246 P247 L249 L250N85-L242 HydrophobicContact CB-CD2 3.76Å; N85-L242 HydrophobicContact CB-CG 4.16Å; N85-L242 WeakPolarHBondContact OD1-CD2 3.38Å; S238-L242 PolarHBondContact O-N 3.31Å; L239-L242 PolarHBondContact O-N 3.48Å; L242-L244 PolarHBondContact O-N 3.4Å; L242-S246 WeakPolarHBondContact CD1-O 3.21Å; L242-S246 CarbonylContact O-C 3.45Å; L242-S246 WeakPolarHBondContact O-CA 3.47Å; L242-S246 PolarHBondContact O-N 2.73Å; L242-S246 VanDerWaalsContact O-O 3.14Å; L242-S246 PolarHBondContact O-OG 3.3Å; L242-P247 WeakPolarHBondContact O-CA 3.03Å; L242-P247 VanDerWaalsContact O-N 3.08Å; L242-L249 HydrophobicContact CD1-CB 4.01Å; L242-L249 HydrophobicContact CD1-CD2 4.09Å; L242-L250 HydrophobicContact CD1-CG 4.4Å; L242-L250 HydrophobicContact CD2-CD1 3.67Å; L242-L250 HydrophobicContact CD2-CG 4.35Å
243T98.3Very high98.2Very high1 Ų164 Ų641%0.00636%0.356CS..Hα-helixtrans-66.8-37.8-175.2-60.80000113.1I78 L82 L239 M240 P247I78-T243 HydrophobicContact CG1-CG2 4.3Å; L82-T243 HydrophobicContact CD2-CG2 4.16Å; L82-T243 HydrophobicContact CG-CG2 4.15Å; L239-T243 WeakPolarHBondContact O-CB 3.46Å; L239-T243 PolarHBondContact O-N 2.83Å; L239-T243 PolarHBondContact O-OG1 2.94Å; M240-T243 PolarHBondContact O-N 3.23Å; T243-P247 WeakPolarHBondContact O-CB 3.35Å
244L98.6Very high98.1Very high81 Ų8161.3 Ų61.342%0.42434%0.342SS..Hα-helixtrans-90.6-33.9-174.2-64.2178.7000113.4W77 I78 M240 L242W77-L244 HydrophobicContact CH2-CD2 3.89Å; W77-L244 HydrophobicContact CZ3-CD2 4.21Å; I78-L244 HydrophobicContact CD1-CD2 3.99Å; M240-L244 HydrophobicContact CE-CD1 3.7Å; M240-L244 HydrophobicContact CE-CD2 4.26Å; M240-L244 HydrophobicContact CE-CG 3.97Å; M240-L244 VanDerWaalsContact O-CB 3.23Å; M240-L244 WeakPolarHBondContact O-CB 3.36Å; M240-L244 VanDerWaalsContact O-CG 3.24Å; M240-L244 WeakPolarHBondContact O-CG 3.25Å; M240-L244 PolarHBondContact O-N 2.94Å; L242-L244 PolarHBondContact O-N 3.4Å
245F98.5Very high98.1Very high167 Ų16757.3 Ų57.373%0.73232%0.321SS*.Hα-helixtrans-104.7-27.6-174.4-64.7-74.5000113.6T241T241-F245 HydrophobicContact CG2-CD2 4.09Å; T241-F245 WeakPolarHBondContact O-CB 3.33Å; T241-F245 WeakPolarHBondContact O-CD2 3.29Å; T241-F245 PolarHBondContact O-N 3.2Å
246S98.4Very high98Very high43 Ų4361.5 Ų61.530%0.30134%0.337SS..  trans-146.254-174.659.50000112.3L242 D248 L249L242-S246 WeakPolarHBondContact CD1-O 3.21Å; L242-S246 CarbonylContact O-C 3.45Å; L242-S246 WeakPolarHBondContact O-CA 3.47Å; L242-S246 PolarHBondContact O-N 2.73Å; L242-S246 VanDerWaalsContact O-O 3.14Å; L242-S246 PolarHBondContact O-OG 3.3Å; S246-D248 PolarHBondContact O-N 2.78Å; S246-D248 VanDerWaalsContact O-N 3.1Å; S246-L249 WeakPolarHBondContact O-CB 3.16Å; S246-L249 PolarHBondContact O-N 3.25Å; S246-L249 VanDerWaalsContact O-N 3.12Å
247P98.1Very high98Very high33 Ų3361.1 Ų61.121%0.21434%0.338CS..THydrogen-bonded Turntrans-60.5-26.9-167.620.6-32.6000114.6Y81 N85 L242 T243Y81-P247 HydrophobicContact CD1-CB 3.56Å; Y81-P247 HydrophobicContact CD2-CB 4.03Å; Y81-P247 HydrophobicContact CE1-CB 3.78Å; Y81-P247 HydrophobicContact CE2-CB 4.22Å; Y81-P247 HydrophobicContact CG-CB 3.71Å; N85-P247 PolarHBondContact ND2-O 3.29Å; N85-P247 PolarHBondContact OD1-O 3.43Å; L242-P247 WeakPolarHBondContact O-CA 3.03Å; L242-P247 VanDerWaalsContact O-N 3.08Å; T243-P247 WeakPolarHBondContact O-CB 3.35Å
248D98.2Very high97.9Very high74 Ų7460.6 Ų60.640%0.39634%0.336SS..THydrogen-bonded Turntrans-100.42.7-176.3-63.6-53.9000113.7S246 L250 G251 Y256S246-D248 PolarHBondContact O-N 2.78Å; S246-D248 VanDerWaalsContact O-N 3.1Å; D248-L250 PolarHBondContact O-N 2.78Å; D248-L250 VanDerWaalsContact O-N 3.12Å; D248-G251 PolarHBondContact O-N 3.32Å; D248-G251 VanDerWaalsContact O-N 3.14Å; D248-Y256 WeakPolarHBondContact OD1-CE2 3.5Å; D248-Y256 VanDerWaalsContact OD1-CZ 3.31Å; D248-Y256 PolarHBondContact OD1-OH 2.72Å
249L98.4Very high97.9Very high124 Ų12459 Ų5965%0.64933%0.325SS*.THydrogen-bonded Turntrans-56.4-34.2-173.7178.564.1000113.6L242 S246L242-L249 HydrophobicContact CD1-CB 4.01Å; L242-L249 HydrophobicContact CD1-CD2 4.09Å; S246-L249 WeakPolarHBondContact O-CB 3.16Å; S246-L249 PolarHBondContact O-N 3.25Å; S246-L249 VanDerWaalsContact O-N 3.12Å
250L97.9Very high97.8Very high55 Ų5561.8 Ų61.829%0.28834%0.34SS..THydrogen-bonded Turntrans-99.5-5.7-175.9-58.5-177.4000113.6S88 L242 D248S88-L250 VanDerWaalsContact CB-CD1 3.5Å; L242-L250 HydrophobicContact CD1-CG 4.4Å; L242-L250 HydrophobicContact CD2-CD1 3.67Å; L242-L250 HydrophobicContact CD2-CG 4.35Å; D248-L250 PolarHBondContact O-N 2.78Å; D248-L250 VanDerWaalsContact O-N 3.12Å
251G95.6Very high97.6Very high42 Ų4262.9 Ų62.943%0.43335%0.351SS..SBendtrans-96.9169.9-17900000113D248D248-G251 PolarHBondContact O-N 3.32Å; D248-G251 VanDerWaalsContact O-N 3.14Å
252D96.9Very high97.5Very high20 Ų2067.5 Ų67.511%0.10737%0.373CS..  trans-100.9129.2175.7-161.4-72000111.5M138 D254 N255 K269M138-D252 HydrophobicContact CG-CB 4.1Å; D252-D254 PolarHBondContact O-N 3.02Å; D252-D254 WeakPolarHBondContact OD1-CB 3.45Å; D252-D254 PolarHBondContact OD1-N 3.07Å; D252-N255 WeakPolarHBondContact O-CB 3.31Å; D252-N255 PolarHBondContact O-N 2.72Å; D252-N255 VanDerWaalsContact O-N 3.09Å; D252-K269 WeakPolarHBondContact OD2-CE 3.48Å; D252-K269 IonicContact OD2-NZ 2.92Å; D252-K269 PolarHBondContact OD2-NZ 3.31Å
253P96.9Very high97.4Very high95 Ų9571 Ų7162%0.61739%0.391SS*.G310 helixtrans-61.7-27.5-178.125.5-35.8000113.5N255 Y256P253-N255 PolarHBondContact O-N 3.49Å; P253-N255 VanDerWaalsContact O-N 3.14Å; P253-Y256 WeakPolarHBondContact O-CB 3.47Å; P253-Y256 PolarHBondContact O-N 3.38Å
254D96.8Very high97.2Very high53 Ų5374.5 Ų74.528%0.28341%0.413SS..G310 helixtrans-63.3-23.3178.7-76.3-9.7000111.2Q137 M138 D252 Y256 T257Q137-D254 HydrophobicContact CB-CB 4.44Å; M138-D254 HydrophobicContact CE-CB 3.52Å; M138-D254 WeakPolarHBondContact CE-OD2 3.22Å; M138-D254 HydrophobicContact CG-CB 3.81Å; D252-D254 PolarHBondContact O-N 3.02Å; D252-D254 WeakPolarHBondContact OD1-CB 3.45Å; D252-D254 PolarHBondContact OD1-N 3.07Å; D254-Y256 PolarHBondContact O-N 2.71Å; D254-T257 PolarHBondContact O-N 3.42Å; D254-T257 PolarHBondContact O-OG1 2.79Å
255N97.6Very high96.9Very high20 Ų2071.2 Ų71.211%0.10740%0.397CS..G310 helixtrans-73.4-5.3176.8-139.632.7000114.3G136 M138 S139 D252 P253 T257G136-N255 VanDerWaalsContact C-OD1 3.3Å; G136-N255 VanDerWaalsContact CA-OD1 3.26Å; G136-N255 WeakPolarHBondContact CA-OD1 3.44Å; M138-N255 HydrophobicContact CB-CB 4.17Å; M138-N255 PolarHBondContact N-OD1 3.38Å; S139-N255 PolarHBondContact N-OD1 2.8Å; S139-N255 PolarHBondContact OG-ND2 3.04Å; S139-N255 PolarHBondContact OG-OD1 3.16Å; D252-N255 WeakPolarHBondContact O-CB 3.31Å; D252-N255 PolarHBondContact O-N 2.72Å; D252-N255 VanDerWaalsContact O-N 3.09Å; P253-N255 PolarHBondContact O-N 3.49Å; P253-N255 VanDerWaalsContact O-N 3.14Å; N255-T257 VanDerWaalsContact C-N 3.3Å
256Y97.6Very high96.6Very high101 Ų10169.6 Ų69.640%0.39640%0.403SS..G310 helixtrans-87.33.3167.4-75.9-73.4000113.6F63 R80 Y81 D248 P253 D254F63-Y256 WeakPolarHBondContact CZ-O 3.47Å; R80-Y256 PolarHBondContact NH1-OH 3.38Å; R80-Y256 VanDerWaalsContact NH1-OH 3.15Å; Y81-Y256 PolarHBondContact OH-OH 3.02Å; D248-Y256 WeakPolarHBondContact OD1-CE2 3.5Å; D248-Y256 VanDerWaalsContact OD1-CZ 3.31Å; D248-Y256 PolarHBondContact OD1-OH 2.72Å; P253-Y256 WeakPolarHBondContact O-CB 3.47Å; P253-Y256 PolarHBondContact O-N 3.38Å; D254-Y256 PolarHBondContact O-N 2.71Å
257T97.9Very high96.3Very high69 Ų6970 Ų7042%0.42340%0.4SS..SBendtrans-108.3135.2170.861.10000110G136 Q137 D254 N255G136-T257 CarbonylContact C-O 3.54Å; G136-T257 WeakPolarHBondContact CA-O 3.36Å; Q137-T257 WeakPolarHBondContact CG-OG1 3.45Å; Q137-T257 PolarHBondContact N-O 3.48Å; D254-T257 PolarHBondContact O-N 3.42Å; D254-T257 PolarHBondContact O-OG1 2.79Å; N255-T257 VanDerWaalsContact C-N 3.3Å
258L97.6Very high96.1Very high96 Ų9669.9 Ų69.950%0.50340%0.397SS..BIsolated β-bridgetrans-56.6138179.1175.165.3000110.4F63 N260F63-L258 HydrophobicContact CB-CD1 3.45Å; F63-L258 VanDerWaalsContact CB-CD1 3.45Å; F63-L258 HydrophobicContact CD1-CB 4.22Å; F63-L258 HydrophobicContact CD1-CD1 4.13Å; F63-L258 HydrophobicContact CD2-CB 4.47Å; F63-L258 HydrophobicContact CD2-CD1 4.22Å; F63-L258 HydrophobicContact CE1-CB 4.35Å; F63-L258 HydrophobicContact CG-CB 4.29Å; F63-L258 HydrophobicContact CG-CD1 3.68Å; L258-N260 PolarHBondContact O-N 3.32Å
259A97.1Very high95.9Very high15 Ų1569.2 Ų69.212%0.12439%0.391CS..  trans-52.8128.217600000112.1W135 F140W135-A259 HydrophobicContact CG-CB 4.42Å; W135-A259 WeakPolarHBondContact O-CB 3.25Å; W135-A259 PolarHBondContact O-N 2.87Å; W135-A259 VanDerWaalsContact O-N 3.11Å; F140-A259 HydrophobicContact CB-CB 3.52Å; F140-A259 HydrophobicContact CD2-CB 4.26Å; F140-A259 HydrophobicContact CG-CB 3.93Å
260N96.9Very high95.8Very high66 Ų6664.2 Ų64.235%0.35337%0.366SS..  trans-126108.2173-177.6-11.1000109.3W141 L258 L262 N263W141-N260 PolarHBondContact NE1-O 2.91Å; L258-N260 PolarHBondContact O-N 3.32Å; N260-L262 PolarHBondContact O-N 2.95Å; N260-L262 WeakPolarHBondContact OD1-CB 2.92Å; N260-L262 PolarHBondContact OD1-N 3.19Å; N260-N263 HydrophobicContact CB-CB 4.16Å; N260-N263 PolarHBondContact O-N 3.12Å; N260-N263 VanDerWaalsContact O-N 3.09Å
261P95.7Very high95.8Very high79 Ų7962.7 Ų62.751%0.51336%0.357SS..THydrogen-bonded Turntrans-60.1-16.3179-24.334.1000114.8F140 W141F140-P261 HydrophobicContact CE1-CB 4.11Å; F140-P261 HydrophobicContact CE1-CG 4.26Å; F140-P261 HydrophobicContact CE2-CG 4.22Å; F140-P261 HydrophobicContact CZ-CB 3.86Å; F140-P261 HydrophobicContact CZ-CG 3.79Å; W141-P261 WeakPolarHBondContact CH2-O 3.24Å; W141-P261 WeakPolarHBondContact CZ2-O 3.24Å
262L96.3Very high96Very high164 Ų16463.5 Ų63.586%0.85935%0.347SS*.THydrogen-bonded Turntrans-99.5-5.6-179.1-55.5179.3000113.5N260N260-L262 PolarHBondContact O-N 2.95Å; N260-L262 WeakPolarHBondContact OD1-CB 2.92Å; N260-L262 PolarHBondContact OD1-N 3.19Å
263N95.8Very high96Very high92 Ų9263 Ų6349%0.49234%0.344SS..  trans-128100.8-179.5-174.616.1000110.8Q137 W141 N260Q137-N263 PolarHBondContact NE2-O 3.48Å; W141-N263 PolarHBondContact NE1-O 3.39Å; N260-N263 HydrophobicContact CB-CB 4.16Å; N260-N263 PolarHBondContact O-N 3.12Å; N260-N263 VanDerWaalsContact O-N 3.09Å
264T93.9Very high96.1Very high76 Ų7659.9 Ų59.947%0.46632%0.321SS..  trans-78.6127.3178.8-48.80000110.6W141 I268W141-T264 HydrophobicContact CD2-CG2 4.25Å; W141-T264 HydrophobicContact CE3-CG2 4.25Å; W141-T264 VanDerWaalsContact CH2-OG1 3.3Å; W141-T264 WeakPolarHBondContact CH2-OG1 3.15Å; W141-T264 WeakPolarHBondContact CZ2-OG1 3.36Å; W141-T264 HydrophobicContact CZ3-CG2 4.4Å; T264-I268 HydrophobicContact CG2-CD1 3.41Å; T264-I268 VanDerWaalsContact CG2-CD1 3.41Å; T264-I268 HydrophobicContact CG2-CG1 4.29Å
265P93.8Very high96.2Very high11 Ų1158.1 Ų58.17%0.07131%0.311CS..  trans-57.3150.6173-2835.6000112.6Q137 M138 W141 H267 I268Q137-P265 HydrophobicContact CB-CG 3.86Å; Q137-P265 HydrophobicContact CG-CG 4.5Å; M138-P265 HydrophobicContact CE-CB 3.43Å; M138-P265 VanDerWaalsContact CE-CB 3.43Å; M138-P265 HydrophobicContact CE-CG 3.93Å; W141-P265 HydrophobicContact CG-CG 4.39Å; P265-H267 VanDerWaalsContact C-N 3.26Å; P265-H267 PolarHBondContact O-N 3.11Å; P265-I268 HydrophobicContact CB-CG1 4.34Å; P265-I268 HydrophobicContact CG-CG1 4.48Å
266P90.9Very high96.3Very high133 Ų13358.2 Ų58.286%0.86431%0.311SS*.SBendtrans-58.2-34.8-178.5-25.133.8000114.1
267H92.3Very high96.3Very high51 Ų5153.6 Ų53.624%0.23629%0.293CS..SBendtrans-141.890.8-178.9-173.5-115.2000111.8P265 K269 G340 Q341P265-H267 VanDerWaalsContact C-N 3.26Å; P265-H267 PolarHBondContact O-N 3.11Å; H267-K269 PolarHBondContact O-N 3.23Å; H267-G340 PolarHBondContact CE1-O 3.31Å; H267-G340 VanDerWaalsContact CE1-O 3.28Å; H267-Q341 PolarHBondContact NE2-O 3.27Å
268I93.8Very high96.3Very high32 Ų3251.7 Ų51.716%0.16428%0.278CS..  trans-73.5122.1175.4-58.3161.6000109.7W141 V145 T264 P265 Y278W141-I268 HydrophobicContact CB-CD1 3.71Å; W141-I268 HydrophobicContact CB-CG1 3.89Å; W141-I268 HydrophobicContact CB-CG2 4.13Å; W141-I268 HydrophobicContact CD2-CD1 4.25Å; W141-I268 HydrophobicContact CE3-CD1 4.2Å; W141-I268 HydrophobicContact CG-CD1 4.09Å; W141-I268 HydrophobicContact CG-CG1 4.48Å; V145-I268 HydrophobicContact CG2-CD1 4.3Å; V145-I268 HydrophobicContact CG2-CG2 4.3Å; T264-I268 HydrophobicContact CG2-CD1 3.41Å; T264-I268 VanDerWaalsContact CG2-CD1 3.41Å; T264-I268 HydrophobicContact CG2-CG1 4.29Å; P265-I268 HydrophobicContact CB-CG1 4.34Å; P265-I268 HydrophobicContact CG-CG1 4.48Å; I268-Y278 PolarHBondContact O-OH 3.29Å
269K94.6Very high96.4Very high59 Ų5947.2 Ų47.226%0.25726%0.255SS..  trans-143.7153.1177.160.2-178174.9-176.90109.7D252 H267 L275 Y278D252-K269 WeakPolarHBondContact OD2-CE 3.48Å; D252-K269 IonicContact OD2-NZ 2.92Å; D252-K269 PolarHBondContact OD2-NZ 3.31Å; H267-K269 PolarHBondContact O-N 3.23Å; K269-L275 HydrophobicContact CB-CD2 4.15Å; K269-Y278 HydrophobicContact CB-CE1 4.35Å
270P96.6Very high96.5Very high20 Ų2046.6 Ų46.613%0.1325%0.25CC..  trans-77.7174.1170.735.9-36.8000110.9F274 L275 Y278P270-F274 HydrophobicContact CB-CB 3.81Å; P270-F274 HydrophobicContact CB-CD2 4.16Å; P270-F274 HydrophobicContact CB-CG 4.42Å; P270-F274 HydrophobicContact CG-CB 3.73Å; P270-L275 HydrophobicContact CG-CD2 4.12Å; P270-L275 WeakPolarHBondContact O-CD2 3.43Å; P270-Y278 HydrophobicContact CG-CD2 4.46Å; P270-Y278 HydrophobicContact CG-CG 4.09Å
271E97.8Very high96.5Very high22 Ų2244.3 Ų44.310%0.10324%0.237CC..  trans-58156.7172.1-68.6-68.3106.700112.7Y131 Y273 F274Y131-E271 HydrophobicContact CD1-CG 4.21Å; Y131-E271 HydrophobicContact CD2-CG 3.45Å; Y131-E271 VanDerWaalsContact CD2-CG 3.45Å; Y131-E271 HydrophobicContact CE1-CG 4.16Å; Y131-E271 HydrophobicContact CE2-CG 3.38Å; Y131-E271 WeakPolarHBondContact CE2-OE1 3.17Å; Y131-E271 HydrophobicContact CG-CG 3.85Å; Y131-E271 PolarHBondContact OH-OE1 3.28Å; E271-Y273 HydrophobicContact CB-CD1 4.19Å; E271-Y273 HydrophobicContact CB-CE1 3.56Å; E271-Y273 HydrophobicContact CB-CE2 4.09Å; E271-Y273 VanDerWaalsContact CB-CZ 3.49Å; E271-Y273 HydrophobicContact CG-CE1 4.3Å; E271-Y273 PolarHBondContact O-N 2.85Å; E271-F274 PolarHBondContact O-N 2.83Å
272W98.6Very high96.6Very high60 Ų6043.3 Ų43.323%0.22722%0.224CC..G310 helixtrans-53.6-36.8-166.671.3-93.3000114.2S88 F91 I92 F95 F274 L275S88-W272 WeakPolarHBondContact O-CZ2 3.31Å; S88-W272 PolarHBondContact OG-NE1 3.06Å; F91-W272 HydrophobicContact CB-CH2 4.1Å; F91-W272 HydrophobicContact CB-CZ2 4.15Å; I92-W272 HydrophobicContact CD1-CH2 4.49Å; I92-W272 HydrophobicContact CD1-CZ2 4.29Å; I92-W272 HydrophobicContact CG1-CH2 3.54Å; I92-W272 HydrophobicContact CG1-CZ2 3.71Å; F95-W272 HydrophobicContact CD2-CH2 4.23Å; F95-W272 HydrophobicContact CD2-CZ3 4.17Å; F95-W272 HydrophobicContact CE2-CH2 4.07Å; F95-W272 AromaticContact CE2-CZ3 3.86Å; F95-W272 HydrophobicContact CE2-CZ3 3.86Å; W272-F274 PolarHBondContact O-N 3.46Å; W272-L275 HydrophobicContact CB-CD1 4.28Å; W272-L275 WeakPolarHBondContact O-CB 3.32Å; W272-L275 PolarHBondContact O-N 3.48Å; W272-L275 VanDerWaalsContact O-N 3.12Å
273Y98.5Very high96.7Very high10 Ų1036.2 Ų36.24%0.03919%0.187CC..G310 helixtrans-70.6-8.3-178.946.1-96.3000114F91 F95 A127 E271F91-Y273 HydrophobicContact CB-CD1 4.26Å; F91-Y273 HydrophobicContact CB-CG 3.98Å; F91-Y273 AromaticContact CD1-CD2 3.99Å; F91-Y273 HydrophobicContact CD1-CD2 3.99Å; F91-Y273 HydrophobicContact CD1-CG 4.03Å; F91-Y273 AromaticContact CD2-CD1 3.77Å; F91-Y273 HydrophobicContact CD2-CD1 3.77Å; F91-Y273 AromaticContact CD2-CD2 3.53Å; F91-Y273 HydrophobicContact CD2-CD2 3.53Å; F91-Y273 HydrophobicContact CD2-CE1 4.08Å; F91-Y273 AromaticContact CD2-CE2 3.8Å; F91-Y273 HydrophobicContact CD2-CE2 3.8Å; F91-Y273 AromaticContact CD2-CG 3.5Å; F91-Y273 HydrophobicContact CD2-CG 3.5Å; F91-Y273 AromaticContact CE1-CD2 3.93Å; F91-Y273 HydrophobicContact CE1-CD2 3.93Å; F91-Y273 HydrophobicContact CE1-CG 4.44Å; F91-Y273 HydrophobicContact CE2-CD1 4.41Å; F91-Y273 AromaticContact CE2-CD2 3.47Å; F91-Y273 HydrophobicContact CE2-CD2 3.47Å; F91-Y273 VanDerWaalsContact CE2-CD2 3.47Å; F91-Y273 HydrophobicContact CE2-CE1 4.44Å; F91-Y273 AromaticContact CE2-CE2 3.45Å; F91-Y273 HydrophobicContact CE2-CE2 3.45Å; F91-Y273 VanDerWaalsContact CE2-CE2 3.45Å; F91-Y273 AromaticContact CE2-CG 3.98Å; F91-Y273 HydrophobicContact CE2-CG 3.98Å; F91-Y273 AromaticContact CE2-CZ 4Å; F91-Y273 HydrophobicContact CG-CD1 4.09Å; F91-Y273 AromaticContact CG-CD2 3.8Å; F91-Y273 HydrophobicContact CG-CD2 3.8Å; F91-Y273 AromaticContact CG-CG 3.54Å; F91-Y273 HydrophobicContact CG-CG 3.54Å; F91-Y273 AromaticContact CZ-CD2 3.68Å; F91-Y273 HydrophobicContact CZ-CD2 3.68Å; F91-Y273 AromaticContact CZ-CE2 3.89Å; F91-Y273 HydrophobicContact CZ-CE2 3.89Å; F91-Y273 HydrophobicContact CZ-CG 4.42Å; F95-Y273 WeakPolarHBondContact CZ-O 3.4Å; A127-Y273 HydrophobicContact CB-CE2 3.98Å; E271-Y273 HydrophobicContact CB-CD1 4.19Å; E271-Y273 HydrophobicContact CB-CE1 3.56Å; E271-Y273 HydrophobicContact CB-CE2 4.09Å; E271-Y273 VanDerWaalsContact CB-CZ 3.49Å; E271-Y273 HydrophobicContact CG-CE1 4.3Å; E271-Y273 PolarHBondContact O-N 2.85Å
274F98.6Very high96.8Very high28 Ų2834.4 Ų34.412%0.12318%0.179CC..G310 helixtrans-104.3-8.9171.6-66.3-56.6000113.8M124 F128 P270 E271 W272 F276 A277 Y278M124-F274 HydrophobicContact CB-CE1 3.81Å; M124-F274 HydrophobicContact CB-CZ 4.22Å; M124-F274 HydrophobicContact CE-CD1 3.64Å; M124-F274 HydrophobicContact CE-CE1 3.49Å; M124-F274 VanDerWaalsContact CE-CE1 3.49Å; M124-F274 HydrophobicContact CG-CE1 3.82Å; M124-F274 WeakPolarHBondContact O-CZ 3.45Å; F128-F274 HydrophobicContact CB-CE2 4.25Å; F128-F274 HydrophobicContact CB-CZ 4.21Å; P270-F274 HydrophobicContact CB-CB 3.81Å; P270-F274 HydrophobicContact CB-CD2 4.16Å; P270-F274 HydrophobicContact CB-CG 4.42Å; P270-F274 HydrophobicContact CG-CB 3.73Å; E271-F274 PolarHBondContact O-N 2.83Å; W272-F274 PolarHBondContact O-N 3.46Å; F274-F276 VanDerWaalsContact C-N 3.29Å; F274-F276 PolarHBondContact O-N 3.49Å; F274-A277 PolarHBondContact O-N 3.49Å; F274-Y278 WeakPolarHBondContact O-CB 3.41Å; F274-Y278 PolarHBondContact O-N 2.95Å
275L98.7Very high96.9Very high17 Ų1736.8 Ų36.89%0.08920%0.197CC..Hα-helixtrans-62.7-33.9-170.6-68.8179.5000113.3K269 P270 W272 A277 Y278 T279 T336K269-L275 HydrophobicContact CB-CD2 4.15Å; P270-L275 HydrophobicContact CG-CD2 4.12Å; P270-L275 WeakPolarHBondContact O-CD2 3.43Å; W272-L275 HydrophobicContact CB-CD1 4.28Å; W272-L275 WeakPolarHBondContact O-CB 3.32Å; W272-L275 PolarHBondContact O-N 3.48Å; W272-L275 VanDerWaalsContact O-N 3.12Å; L275-A277 PolarHBondContact O-N 2.82Å; L275-Y278 HydrophobicContact CD2-CD1 4.34Å; L275-Y278 PolarHBondContact O-N 2.77Å; L275-T279 PolarHBondContact O-N 3.29Å; L275-T279 PolarHBondContact O-OG1 3.37Å; L275-T336 HydrophobicContact CB-CG2 4.11Å; L275-T336 WeakPolarHBondContact CB-O 3.39Å; L275-T336 HydrophobicContact CD1-CG2 4.38Å
276F98.8Very high97.1Very high22 Ų2240.8 Ų40.810%0.09622%0.217CC..Hα-helixtrans-61-46.417880.8-83.9000111.8F95 F274 T279 I280 L332 L335F95-F276 HydrophobicContact CE1-CE1 4.43Å; F95-F276 HydrophobicContact CZ-CE1 4.29Å; F274-F276 VanDerWaalsContact C-N 3.29Å; F274-F276 PolarHBondContact O-N 3.49Å; F276-T279 PolarHBondContact O-N 2.88Å; F276-I280 PolarHBondContact O-N 2.77Å; F276-L332 HydrophobicContact CB-CD2 4.21Å; F276-L332 HydrophobicContact CD2-CD2 3.65Å; F276-L332 HydrophobicContact CE2-CD2 4.33Å; F276-L332 HydrophobicContact CG-CD2 4.06Å; F276-L335 HydrophobicContact CB-CB 3.93Å
277A98.6Very high97.2Very high3 Ų339.4 Ų39.43%0.02520%0.198CC..Hα-helixtrans-71.1-36.6178.300000110.9F274 L275 T279 I280 L281 L294F274-A277 PolarHBondContact O-N 3.49Å; L275-A277 PolarHBondContact O-N 2.82Å; A277-T279 VanDerWaalsContact C-N 3.29Å; A277-T279 PolarHBondContact O-N 3.48Å; A277-I280 PolarHBondContact O-N 2.93Å; A277-I280 VanDerWaalsContact O-N 3.15Å; A277-L281 PolarHBondContact O-N 3.28Å; A277-L294 HydrophobicContact CB-CD1 4Å; A277-L294 HydrophobicContact CB-CG 4.31Å
278Y98.4Very high97.4Very high29 Ų2939.8 Ų39.811%0.11420%0.201CC..Hα-helixtrans-61.2-35.9174.2178.7-115.4000112.5I268 K269 P270 F274 L275 L281 R282I268-Y278 PolarHBondContact O-OH 3.29Å; K269-Y278 HydrophobicContact CB-CE1 4.35Å; P270-Y278 HydrophobicContact CG-CD2 4.46Å; P270-Y278 HydrophobicContact CG-CG 4.09Å; F274-Y278 WeakPolarHBondContact O-CB 3.41Å; F274-Y278 PolarHBondContact O-N 2.95Å; L275-Y278 HydrophobicContact CD2-CD1 4.34Å; L275-Y278 PolarHBondContact O-N 2.77Å; Y278-L281 HydrophobicContact CD2-CD2 4.16Å; Y278-L281 WeakPolarHBondContact O-CB 3.04Å; Y278-R282 HydrophobicContact CE2-CG 4.14Å; Y278-R282 VanDerWaalsContact CZ-CD 3.43Å; Y278-R282 WeakPolarHBondContact O-CG 3.26Å; Y278-R282 PolarHBondContact O-N 3.18Å; Y278-R282 WeakPolarHBondContact OH-CD 3.39Å
279T98.7Very high97.6Very high2 Ų239.3 Ų39.31%0.01220%0.204CC..Hα-helixtrans-63.2-48.3170.6-64.70000111.5L275 F276 A277 L281 R282 S283 L335 I338 G339L275-T279 PolarHBondContact O-N 3.29Å; L275-T279 PolarHBondContact O-OG1 3.37Å; F276-T279 PolarHBondContact O-N 2.88Å; A277-T279 VanDerWaalsContact C-N 3.29Å; A277-T279 PolarHBondContact O-N 3.48Å; T279-L281 VanDerWaalsContact C-N 3.29Å; T279-L281 PolarHBondContact O-N 3.33Å; T279-R282 PolarHBondContact O-N 3.5Å; T279-R282 VanDerWaalsContact O-N 3.1Å; T279-S283 PolarHBondContact O-N 3.14Å; T279-S283 PolarHBondContact O-OG 3Å; T279-L335 WeakPolarHBondContact CB-O 3.31Å; T279-L335 HydrophobicContact CG2-CD2 3.52Å; T279-L335 PolarHBondContact OG1-O 3.14Å; T279-I338 HydrophobicContact CG2-CB 4.04Å; T279-I338 HydrophobicContact CG2-CG2 3.64Å; T279-G339 WeakPolarHBondContact OG1-CA 3.17Å; T279-G339 PolarHBondContact OG1-N 3.04Å
280I98.8Very high97.8Very high2 Ų236.5 Ų36.51%0.0119%0.192CC..Hα-helixtrans-58.4-41.7178.7-66.7171.1000111.5F276 A277 R282 S283 A293 S297 L335 Y358 F359F276-I280 PolarHBondContact O-N 2.77Å; A277-I280 PolarHBondContact O-N 2.93Å; A277-I280 VanDerWaalsContact O-N 3.15Å; I280-R282 PolarHBondContact O-N 3.01Å; I280-S283 PolarHBondContact O-N 3.12Å; I280-A293 HydrophobicContact CG2-CB 3.8Å; I280-S297 VanDerWaalsContact CD1-CB 3.48Å; I280-L335 HydrophobicContact CD1-CD1 4.06Å; I280-L335 HydrophobicContact CG1-CD1 4.22Å; I280-L335 HydrophobicContact CG1-CD2 4.15Å; I280-Y358 HydrophobicContact CD1-CD1 3.93Å; I280-Y358 HydrophobicContact CD1-CE1 4.25Å; I280-Y358 HydrophobicContact CD1-CG 4.28Å; I280-F359 HydrophobicContact CG2-CE2 3.86Å; I280-F359 HydrophobicContact CG2-CZ 4.33Å
281L98.3Very high97.8Very high18 Ų1836.7 Ų36.79%0.09419%0.192CC..Hα-helixtrans-54.1-51.8173171.164.9000111.7L149 A277 Y278 T279 S283 G290 V291 L294L149-L281 HydrophobicContact CD1-CD1 4.36Å; L149-L281 HydrophobicContact CD1-CD2 3.7Å; L149-L281 HydrophobicContact CD2-CD1 4.25Å; L149-L281 HydrophobicContact CD2-CD2 4.17Å; A277-L281 PolarHBondContact O-N 3.28Å; Y278-L281 HydrophobicContact CD2-CD2 4.16Å; Y278-L281 WeakPolarHBondContact O-CB 3.04Å; T279-L281 VanDerWaalsContact C-N 3.29Å; T279-L281 PolarHBondContact O-N 3.33Å; L281-S283 VanDerWaalsContact C-N 3.33Å; L281-S283 PolarHBondContact O-N 3.12Å; L281-G290 WeakPolarHBondContact CD1-O 3.48Å; L281-G290 WeakPolarHBondContact O-CA 3.41Å; L281-V291 HydrophobicContact CD1-CG2 4.25Å; L281-L294 HydrophobicContact CB-CB 4.13Å; L281-L294 HydrophobicContact CB-CD1 3.93Å; L281-L294 HydrophobicContact CD2-CD1 4.27Å
282R97.1Very high97.9Very high59 Ų5939.8 Ų39.822%0.22321%0.209CC..Hα-helixtrans-74.3-20.9-175.1-68.3-170.9-61.417212.7113.7Y278 T279 I280 V284 I338 G339 Q341Y278-R282 HydrophobicContact CE2-CG 4.14Å; Y278-R282 VanDerWaalsContact CZ-CD 3.43Å; Y278-R282 WeakPolarHBondContact O-CG 3.26Å; Y278-R282 PolarHBondContact O-N 3.18Å; Y278-R282 WeakPolarHBondContact OH-CD 3.39Å; T279-R282 PolarHBondContact O-N 3.5Å; T279-R282 VanDerWaalsContact O-N 3.1Å; I280-R282 PolarHBondContact O-N 3.01Å; R282-V284 PolarHBondContact O-N 3.5Å; R282-I338 PolarHBondContact NH2-O 3.24Å; R282-G339 PolarHBondContact NH2-O 3.09Å; R282-Q341 PolarHBondContact NH1-O 2.73Å; R282-Q341 VanDerWaalsContact NH1-O 3.14Å; R282-Q341 PolarHBondContact NH2-O 3.24Å
283S97.9Very high97.9Very high14 Ų1437.6 Ų37.610%0.09820%0.204CC..Hα-helixtrans-66.4-26178.7-67.80000113.2T279 I280 L281 P285 G351 Q352 S355T279-S283 PolarHBondContact O-N 3.14Å; T279-S283 PolarHBondContact O-OG 3Å; I280-S283 PolarHBondContact O-N 3.12Å; L281-S283 VanDerWaalsContact C-N 3.33Å; L281-S283 PolarHBondContact O-N 3.12Å; S283-P285 WeakPolarHBondContact O-CD 3.48Å; S283-G351 PolarHBondContact OG-O 3.36Å; S283-G351 VanDerWaalsContact OG-O 3.04Å; S283-Q352 WeakPolarHBondContact O-CG 3.21Å; S283-Q352 PolarHBondContact O-NE2 2.67Å; S283-Q352 PolarHBondContact OG-N 3.4Å; S283-S355 WeakPolarHBondContact CB-OG 3.23Å; S283-S355 PolarHBondContact OG-OG 3.32Å
284V98Very high97.8Very high54 Ų5439.1 Ų39.133%0.32721%0.213SC..SBendtrans-93117.1-179.5-175.60000109.9R282 N286 A293R282-V284 PolarHBondContact O-N 3.5Å; V284-N286 HydrophobicContact CG1-CB 4.26Å; V284-N286 PolarHBondContact O-N 3.4Å; V284-A293 HydrophobicContact CG2-CB 3.87Å
285P95.9Very high97.8Very high127 Ų12742 Ų4283%0.82523%0.229SC*.SBendtrans-78.543.3-178.634.8-37.3000112.4S283S283-P285 WeakPolarHBondContact O-CD 3.48Å
286N97.4Very high97.7Very high95 Ų9545.6 Ų45.651%0.50825%0.248SC..SBendtrans-150.3129.9175.9179.6-81.4000108.8V284 L288 G289 G290V284-N286 HydrophobicContact CG1-CB 4.26Å; V284-N286 PolarHBondContact O-N 3.4Å; N286-L288 PolarHBondContact O-N 3.19Å; N286-L288 PolarHBondContact OD1-N 3.09Å; N286-L288 VanDerWaalsContact OD1-N 3.08Å; N286-G289 PolarHBondContact O-N 3.32Å; N286-G289 PolarHBondContact OD1-N 2.97Å; N286-G290 PolarHBondContact O-N 2.96Å
287K94.4Very high97.7Very high103 Ų10344.6 Ų44.645%0.44824%0.244SC..Hα-helixtrans-58.4-52.7-175.6-167.9-176.1177.9179.30112.3N148 S151 A152 G290 V291N148-K287 WeakPolarHBondContact O-CE 3.46Å; N148-K287 PolarHBondContact O-NZ 3.43Å; N148-K287 VanDerWaalsContact O-NZ 3.09Å; S151-K287 PolarHBondContact OG-NZ 2.99Å; A152-K287 HydrophobicContact CB-CD 4.04Å; A152-K287 HydrophobicContact CB-CG 3.92Å; K287-G290 PolarHBondContact O-N 2.69Å; K287-V291 VanDerWaalsContact O-CG2 3.29Å; K287-V291 WeakPolarHBondContact O-CG2 3.17Å; K287-V291 PolarHBondContact O-N 2.86Å; K287-V291 VanDerWaalsContact O-N 3.09Å
288L96.6Very high97.7Very high60 Ų6045.2 Ų45.231%0.31425%0.246SC..Hα-helixtrans-65.3-44.9179.5176.859.9000111.3A152 P154 N286 G290 V291 L292A152-L288 HydrophobicContact CB-CB 4.27Å; A152-L288 HydrophobicContact CB-CD1 4.38Å; P154-L288 HydrophobicContact CG-CD2 4.42Å; N286-L288 PolarHBondContact O-N 3.19Å; N286-L288 PolarHBondContact OD1-N 3.09Å; N286-L288 VanDerWaalsContact OD1-N 3.08Å; L288-G290 VanDerWaalsContact C-N 3.33Å; L288-G290 PolarHBondContact O-N 3.03Å; L288-V291 PolarHBondContact O-N 3.42Å; L288-L292 HydrophobicContact CD1-CD1 4.26Å; L288-L292 HydrophobicContact CD1-CG 4.18Å; L288-L292 HydrophobicContact CG-CD1 4.14Å; L288-L292 HydrophobicContact CG-CG 4.47Å; L288-L292 WeakPolarHBondContact O-CG 3.43Å; L288-L292 PolarHBondContact O-N 2.93Å
289G98.2Very high97.7Very high22 Ų2246.8 Ų46.823%0.22726%0.256CS..Hα-helixtrans-58.7-42.5177.800000112.8N286 L292 A293N286-G289 PolarHBondContact O-N 3.32Å; N286-G289 PolarHBondContact OD1-N 2.97Å; G289-L292 PolarHBondContact O-N 2.93Å; G289-A293 WeakPolarHBondContact O-CB 3.45Å; G289-A293 PolarHBondContact O-N 3.21Å
290G97.9Very high97.7Very high0 Ų047 Ų470%026%0.258CS..Hα-helixtrans-65.3-41.5175.300000112.7L281 N286 K287 L288 L292 A293 L294L281-G290 WeakPolarHBondContact CD1-O 3.48Å; L281-G290 WeakPolarHBondContact O-CA 3.41Å; N286-G290 PolarHBondContact O-N 2.96Å; K287-G290 PolarHBondContact O-N 2.69Å; L288-G290 VanDerWaalsContact C-N 3.33Å; L288-G290 PolarHBondContact O-N 3.03Å; G290-L292 VanDerWaalsContact C-N 3.35Å; G290-A293 PolarHBondContact O-N 2.92Å; G290-L294 WeakPolarHBondContact O-CB 3.5Å; G290-L294 PolarHBondContact O-N 3.48Å
291V97.7Very high97.7Very high23 Ų2347.8 Ų47.814%0.13926%0.261CS..Hα-helixtrans-62.4-43.5175.8172.30000111.3L149 A152 L281 K287 L288 L294 L295L149-V291 HydrophobicContact CB-CG2 3.72Å; L149-V291 HydrophobicContact CD2-CG2 3.98Å; L149-V291 HydrophobicContact CG-CG2 4.27Å; A152-V291 HydrophobicContact CB-CG2 4.31Å; L281-V291 HydrophobicContact CD1-CG2 4.25Å; K287-V291 VanDerWaalsContact O-CG2 3.29Å; K287-V291 WeakPolarHBondContact O-CG2 3.17Å; K287-V291 PolarHBondContact O-N 2.86Å; K287-V291 VanDerWaalsContact O-N 3.09Å; L288-V291 PolarHBondContact O-N 3.42Å; V291-L294 PolarHBondContact O-N 3.4Å; V291-L295 PolarHBondContact O-N 3.13Å
292L98.2Very high97.7Very high87 Ų8748.8 Ų48.846%0.45527%0.273SS..Hα-helixtrans-63.5-42.8174.5-67.7174.8000111.4L288 G289 G290 L294 L295 L296L288-L292 HydrophobicContact CD1-CD1 4.26Å; L288-L292 HydrophobicContact CD1-CG 4.18Å; L288-L292 HydrophobicContact CG-CD1 4.14Å; L288-L292 HydrophobicContact CG-CG 4.47Å; L288-L292 WeakPolarHBondContact O-CG 3.43Å; L288-L292 PolarHBondContact O-N 2.93Å; G289-L292 PolarHBondContact O-N 2.93Å; G290-L292 VanDerWaalsContact C-N 3.35Å; L292-L294 PolarHBondContact O-N 2.87Å; L292-L295 PolarHBondContact O-N 2.85Å; L292-L296 VanDerWaalsContact O-CB 3.29Å; L292-L296 WeakPolarHBondContact O-CB 3.4Å; L292-L296 WeakPolarHBondContact O-CG 3.27Å; L292-L296 PolarHBondContact O-N 3.34Å
293A98.4Very high97.7Very high14 Ų1450.1 Ų50.112%0.11628%0.282CS..Hα-helixtrans-62.8-41.4178.100000112.4I280 V284 G289 G290 L296 S297I280-A293 HydrophobicContact CG2-CB 3.8Å; V284-A293 HydrophobicContact CG2-CB 3.87Å; G289-A293 WeakPolarHBondContact O-CB 3.45Å; G289-A293 PolarHBondContact O-N 3.21Å; G290-A293 PolarHBondContact O-N 2.92Å; A293-L296 PolarHBondContact O-N 2.71Å; A293-S297 WeakPolarHBondContact O-CB 3.33Å; A293-S297 PolarHBondContact O-N 3.35Å
294L97.8Very high97.7Very high43 Ų4350.3 Ų50.323%0.22528%0.282CS..Hα-helixtrans-61-49.3173.8173.6128.6000111.4A277 L281 G290 V291 L292 L296 S297A277-L294 HydrophobicContact CB-CD1 4Å; A277-L294 HydrophobicContact CB-CG 4.31Å; L281-L294 HydrophobicContact CB-CB 4.13Å; L281-L294 HydrophobicContact CB-CD1 3.93Å; L281-L294 HydrophobicContact CD2-CD1 4.27Å; G290-L294 WeakPolarHBondContact O-CB 3.5Å; G290-L294 PolarHBondContact O-N 3.48Å; V291-L294 PolarHBondContact O-N 3.4Å; L292-L294 PolarHBondContact O-N 2.87Å; L294-L296 VanDerWaalsContact C-N 3.33Å; L294-L296 PolarHBondContact O-N 3.39Å; L294-S297 PolarHBondContact O-N 3.32Å; L294-S297 PolarHBondContact O-OG 2.94Å
295L97.4Very high97.7Very high87 Ų8749.3 Ų49.346%0.45528%0.276SS..Hα-helixtrans-59.7-46.6177.9-174.973.8000110.9V291 L292 S297 I298 L299V291-L295 PolarHBondContact O-N 3.13Å; L292-L295 PolarHBondContact O-N 2.85Å; L295-S297 VanDerWaalsContact C-N 3.29Å; L295-S297 PolarHBondContact O-N 3.08Å; L295-I298 PolarHBondContact O-N 2.94Å; L295-L299 HydrophobicContact CD1-CD1 4.1Å; L295-L299 HydrophobicContact CD1-CG 4.43Å; L295-L299 HydrophobicContact CD2-CD1 3.94Å; L295-L299 HydrophobicContact CG-CD1 3.69Å; L295-L299 HydrophobicContact CG-CG 4.21Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3.2Å
296L98.3Very high97.7Very high93 Ų9348.9 Ų48.949%0.48727%0.266SS..Hα-helixtrans-65.5-29.3179.2-71.1172.3000112.7L292 A293 L294 I298 L299 I300 F359L292-L296 VanDerWaalsContact O-CB 3.29Å; L292-L296 WeakPolarHBondContact O-CB 3.4Å; L292-L296 WeakPolarHBondContact O-CG 3.27Å; L292-L296 PolarHBondContact O-N 3.34Å; A293-L296 PolarHBondContact O-N 2.71Å; L294-L296 VanDerWaalsContact C-N 3.33Å; L294-L296 PolarHBondContact O-N 3.39Å; L296-I298 PolarHBondContact O-N 3.43Å; L296-I298 VanDerWaalsContact O-N 3.14Å; L296-L299 PolarHBondContact O-N 3.4Å; L296-I300 WeakPolarHBondContact O-CB 3.46Å; L296-I300 WeakPolarHBondContact O-CG2 3.15Å; L296-I300 PolarHBondContact O-N 3.36Å; L296-F359 HydrophobicContact CB-CE1 4.21Å; L296-F359 HydrophobicContact CB-CZ 4.32Å
297S98.4Very high97.8Very high2 Ų246 Ų461%0.01425%0.251CS..Hα-helixtrans-63.9-17.4175.775.10000114I280 A293 L294 L295 Y358I280-S297 VanDerWaalsContact CD1-CB 3.48Å; A293-S297 WeakPolarHBondContact O-CB 3.33Å; A293-S297 PolarHBondContact O-N 3.35Å; L294-S297 PolarHBondContact O-N 3.32Å; L294-S297 PolarHBondContact O-OG 2.94Å; L295-S297 VanDerWaalsContact C-N 3.29Å; L295-S297 PolarHBondContact O-N 3.08Å; S297-Y358 PolarHBondContact O-OH 3.24Å
298I98.4Very high97.9Very high15 Ų1543 Ų438%0.07724%0.238CC..Hα-helixtrans-102.2-47.4174.7-54.8161.2000109.3L120 L121 M124 L295 L296 I300 L301L120-I298 HydrophobicContact CD2-CG2 3.75Å; L120-I298 HydrophobicContact CG-CG2 4.43Å; L121-I298 HydrophobicContact CD2-CG2 3.78Å; L121-I298 HydrophobicContact CG-CG2 4.44Å; M124-I298 HydrophobicContact CE-CD1 3.41Å; M124-I298 VanDerWaalsContact CE-CD1 3.41Å; M124-I298 HydrophobicContact CE-CG1 4.15Å; M124-I298 HydrophobicContact SD-CD1 3.85Å; M124-I298 HydrophobicContact SD-CG1 4.43Å; M124-I298 HydrophobicContact SD-CG2 4.39Å; L295-I298 PolarHBondContact O-N 2.94Å; L296-I298 PolarHBondContact O-N 3.43Å; L296-I298 VanDerWaalsContact O-N 3.14Å; I298-I300 PolarHBondContact O-N 2.91Å; I298-L301 WeakPolarHBondContact O-CB 3.43Å; I298-L301 WeakPolarHBondContact O-CG 3.42Å; I298-L301 PolarHBondContact O-N 3.03Å
299L98.2Very high98Very high63 Ų6344.2 Ų44.233%0.3324%0.243SC..Hα-helixtrans-67.4-17.2-177.6-65.6-174.2000113.7L121 L295 L296 L301 A302L121-L299 HydrophobicContact CD1-CD2 4.17Å; L295-L299 HydrophobicContact CD1-CD1 4.1Å; L295-L299 HydrophobicContact CD1-CG 4.43Å; L295-L299 HydrophobicContact CD2-CD1 3.94Å; L295-L299 HydrophobicContact CG-CD1 3.69Å; L295-L299 HydrophobicContact CG-CG 4.21Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3.2Å; L296-L299 PolarHBondContact O-N 3.4Å; L299-L301 PolarHBondContact O-N 3.05Å; L299-L301 VanDerWaalsContact O-N 3.12Å; L299-A302 WeakPolarHBondContact O-CB 3.42Å; L299-A302 PolarHBondContact O-N 3.35Å
300I98.5Very high98Very high7 Ų743.7 Ų43.74%0.03624%0.236CC..G310 helixtrans-56.9-25.5172.4-167.4165.9000112.6L296 I298 A302 M303 Y358 F359 I362 L363L296-I300 WeakPolarHBondContact O-CB 3.46Å; L296-I300 WeakPolarHBondContact O-CG2 3.15Å; L296-I300 PolarHBondContact O-N 3.36Å; I298-I300 PolarHBondContact O-N 2.91Å; I300-A302 PolarHBondContact O-N 2.99Å; I300-M303 WeakPolarHBondContact O-CB 3.39Å; I300-M303 PolarHBondContact O-N 2.58Å; I300-Y358 HydrophobicContact CG2-CE1 4.14Å; I300-Y358 VanDerWaalsContact CG2-OH 3.28Å; I300-Y358 WeakPolarHBondContact CG2-OH 3.31Å; I300-F359 HydrophobicContact CD1-CD1 3.72Å; I300-F359 HydrophobicContact CD1-CE1 4.09Å; I300-I362 HydrophobicContact CD1-CB 3.83Å; I300-I362 HydrophobicContact CD1-CD1 4Å; I300-I362 HydrophobicContact CD1-CG2 3.62Å; I300-I362 HydrophobicContact CG1-CG2 3.8Å; I300-I362 HydrophobicContact CG2-CD1 4.28Å; I300-L363 HydrophobicContact CD1-CD1 4.4Å; I300-L363 HydrophobicContact CD1-CD2 3.72Å; I300-L363 HydrophobicContact CD1-CG 3.85Å; I300-L363 HydrophobicContact CG1-CD2 4.1Å
301L98.6Very high98Very high17 Ų1750 Ų509%0.08926%0.263CS..G310 helixtrans-57.1-32.2173.3-66.8176.1000112.4I98 L102 W113 I117 L120 I298 L299 M303 I304I98-L301 HydrophobicContact CD1-CD1 4.31Å; I98-L301 HydrophobicContact CG2-CD1 4.47Å; I98-L301 HydrophobicContact CG2-CD2 4.18Å; L102-L301 HydrophobicContact CD2-CD2 4.42Å; W113-L301 HydrophobicContact CH2-CD2 4.47Å; W113-L301 HydrophobicContact CZ2-CB 4.15Å; W113-L301 HydrophobicContact CZ2-CD2 4.04Å; W113-L301 PolarHBondContact NE1-O 2.97Å; I117-L301 HydrophobicContact CD1-CB 3.85Å; I117-L301 HydrophobicContact CG1-CB 3.99Å; L120-L301 HydrophobicContact CD2-CD1 3.72Å; I298-L301 WeakPolarHBondContact O-CB 3.43Å; I298-L301 WeakPolarHBondContact O-CG 3.42Å; I298-L301 PolarHBondContact O-N 3.03Å; L299-L301 PolarHBondContact O-N 3.05Å; L299-L301 VanDerWaalsContact O-N 3.12Å; L301-M303 PolarHBondContact O-N 3.34Å; L301-I304 HydrophobicContact CD2-CD1 3.97Å; L301-I304 PolarHBondContact O-N 3.13Å
302A98.2Very high98Very high40 Ų4051 Ų5133%0.33127%0.266SS..G310 helixtrans-70.2-22.6177.300000112.6I117 L299 I300I117-A302 HydrophobicContact CD1-CB 3.87Å; L299-A302 WeakPolarHBondContact O-CB 3.42Å; L299-A302 PolarHBondContact O-N 3.35Å; I300-A302 PolarHBondContact O-N 2.99Å
303M97.5Very high98Very high86 Ų8648.8 Ų48.842%0.42425%0.254SS..G310 helixtrans-80.2-20.5177.1-62.4-59.9-64.300112.6I300 L301 I306 L307I300-M303 WeakPolarHBondContact O-CB 3.39Å; I300-M303 PolarHBondContact O-N 2.58Å; L301-M303 PolarHBondContact O-N 3.34Å; M303-I306 HydrophobicContact CE-CD1 4.49Å; M303-I306 WeakPolarHBondContact O-CB 3.3Å; M303-I306 PolarHBondContact O-N 2.79Å; M303-I306 HydrophobicContact SD-CD1 4.44Å; M303-L307 HydrophobicContact CB-CD1 3.92Å; M303-L307 HydrophobicContact CB-CG 4.41Å; M303-L307 VanDerWaalsContact O-CG 3.32Å; M303-L307 WeakPolarHBondContact O-CG 3.49Å; M303-L307 PolarHBondContact O-N 3.39Å
304I98.1Very high98Very high18 Ų1848.3 Ų48.39%0.09225%0.249CC..Hα-helixtrans-58.9-43.1-171.6-66.9-169.4000114.1L102 F107 L301 I306 L307 H308 I362L102-I304 HydrophobicContact CD2-CD1 3.31Å; L102-I304 HydrophobicContact CD2-CG2 4.07Å; F107-I304 HydrophobicContact CB-CG2 4.42Å; F107-I304 HydrophobicContact CD1-CG2 3.54Å; F107-I304 HydrophobicContact CD2-CG2 3.88Å; F107-I304 HydrophobicContact CE1-CG2 3.62Å; F107-I304 HydrophobicContact CE2-CG2 3.98Å; F107-I304 HydrophobicContact CG-CG2 3.67Å; F107-I304 HydrophobicContact CZ-CG2 3.85Å; L301-I304 HydrophobicContact CD2-CD1 3.97Å; L301-I304 PolarHBondContact O-N 3.13Å; I304-I306 PolarHBondContact O-N 3.44Å; I304-L307 PolarHBondContact O-N 2.83Å; I304-H308 PolarHBondContact O-N 3.03Å; I304-I362 HydrophobicContact CD1-CG2 4.33Å; I304-I362 HydrophobicContact CG1-CG2 4.21Å
305P97.7Very high98Very high33 Ų3347 Ų4721%0.21424%0.242CC..Hα-helixtrans-58-36.8174.9-25.134.6000113.3F107 H308F107-P305 HydrophobicContact CB-CG 4.28Å; F107-P305 HydrophobicContact CD2-CB 4.32Å; F107-P305 HydrophobicContact CD2-CG 4.17Å; F107-P305 WeakPolarHBondContact O-CG 3.48Å; P305-H308 WeakPolarHBondContact O-CB 3.46Å; P305-H308 PolarHBondContact O-N 3.36Å
306I97.1Very high98Very high118 Ų11846.6 Ų46.661%0.60524%0.239SC*.Hα-helixtrans-75.2-31.5-179.3-58161.3000111M303 I304 H308M303-I306 HydrophobicContact CE-CD1 4.49Å; M303-I306 WeakPolarHBondContact O-CB 3.3Å; M303-I306 PolarHBondContact O-N 2.79Å; M303-I306 HydrophobicContact SD-CD1 4.44Å; I304-I306 PolarHBondContact O-N 3.44Å; I306-H308 PolarHBondContact O-N 2.86Å
307L97.7Very high98Very high35 Ų3547.5 Ų47.518%0.18324%0.239CC..Hα-helixtrans-79-4.7178.7-67.4171.9000113.2M303 I304 M309 I362 L363 P367M303-L307 HydrophobicContact CB-CD1 3.92Å; M303-L307 HydrophobicContact CB-CG 4.41Å; M303-L307 VanDerWaalsContact O-CG 3.32Å; M303-L307 WeakPolarHBondContact O-CG 3.49Å; M303-L307 PolarHBondContact O-N 3.39Å; I304-L307 PolarHBondContact O-N 2.83Å; L307-M309 PolarHBondContact O-N 3.45Å; L307-M309 VanDerWaalsContact O-N 3.15Å; L307-I362 HydrophobicContact CD1-CG2 4.23Å; L307-L363 HydrophobicContact CD1-CD2 3.83Å; L307-P367 HydrophobicContact CB-CG 4.05Å; L307-P367 HydrophobicContact CD2-CG 4.13Å
308H98Very high98Very high39 Ų3947.6 Ų47.618%0.18124%0.24CC..  trans-76.1102.2-179.3-172.778.2000112.1F107 L108 I304 P305 I306 S310 Q312F107-H308 HydrophobicContact CE2-CB 3.82Å; F107-H308 AromaticContact CE2-CG 3.93Å; F107-H308 AromaticContact CE2-ND1 3.82Å; F107-H308 HydrophobicContact CZ-CB 4.3Å; F107-H308 AromaticContact CZ-ND1 3.59Å; L108-H308 HydrophobicContact CD2-CB 4.28Å; I304-H308 PolarHBondContact O-N 3.03Å; P305-H308 WeakPolarHBondContact O-CB 3.46Å; P305-H308 PolarHBondContact O-N 3.36Å; I306-H308 PolarHBondContact O-N 2.86Å; H308-S310 PolarHBondContact NE2-O 3.01Å; H308-Q312 PolarHBondContact CE1-O 3.48Å
309M97.7Very high98Very high87 Ų8751.2 Ų51.243%0.42926%0.264SS..  trans-103-4.1-178.7-61.1-64.3171.400114L307 P367 L371 N374L307-M309 PolarHBondContact O-N 3.45Å; L307-M309 VanDerWaalsContact O-N 3.15Å; M309-P367 HydrophobicContact CG-CB 4.07Å; M309-L371 HydrophobicContact CB-CD2 3.84Å; M309-L371 HydrophobicContact CB-CG 3.9Å; M309-L371 HydrophobicContact CG-CD2 4.49Å; M309-L371 HydrophobicContact CG-CG 4.42Å; M309-N374 PolarHBondContact O-ND2 3.28Å
310S98Very high98Very high10 Ų1051.2 Ų51.27%0.0726%0.264CS..  trans-76.2147.1-178.5172.40000111.3H308 Q312 R318H308-S310 PolarHBondContact NE2-O 3.01Å; S310-Q312 VanDerWaalsContact C-N 3.32Å; S310-Q312 WeakPolarHBondContact CB-O 3.44Å; S310-Q312 PolarHBondContact OG-N 2.96Å; S310-Q312 PolarHBondContact OG-O 3.21Å; S310-R318 WeakPolarHBondContact OG-CD 3.37Å; S310-R318 VanDerWaalsContact OG-CZ 3.31Å; S310-R318 PolarHBondContact OG-NE 2.91Å; S310-R318 PolarHBondContact OG-NH1 3.5Å
311K97.8Very high98Very high133 Ų13351 Ų5158%0.57826%0.263SS*.SBendtrans-83.1-12.3168.9-52-73.5-173.2167.70112.6N374 W379 A380K311-N374 PolarHBondContact N-OD1 2.93Å; K311-W379 HydrophobicContact CB-CD2 4.03Å; K311-W379 HydrophobicContact CB-CE3 3.47Å; K311-W379 VanDerWaalsContact CB-CE3 3.47Å; K311-W379 HydrophobicContact CB-CH2 4.49Å; K311-W379 HydrophobicContact CB-CZ3 3.73Å; K311-W379 HydrophobicContact CG-CB 4.19Å; K311-W379 HydrophobicContact CG-CD2 4.22Å; K311-W379 HydrophobicContact CG-CE3 3.86Å; K311-W379 HydrophobicContact CG-CG 4.42Å; K311-A380 WeakPolarHBondContact CE-O 3.4Å; K311-A380 PolarHBondContact NZ-O 3.33Å
312Q98Very high98Very high43 Ų4352.7 Ų52.720%0.20127%0.27CS..SBendtrans-98.4130.2169.9-82.8160.3-20.700110.7H308 S310 R318 W379H308-Q312 PolarHBondContact CE1-O 3.48Å; S310-Q312 VanDerWaalsContact C-N 3.32Å; S310-Q312 WeakPolarHBondContact CB-O 3.44Å; S310-Q312 PolarHBondContact OG-N 2.96Å; S310-Q312 PolarHBondContact OG-O 3.21Å; Q312-R318 HydrophobicContact CB-CG 4.41Å; Q312-R318 PolarHBondContact O-NH1 3.33Å; Q312-W379 HydrophobicContact CB-CZ3 4.36Å; Q312-W379 VanDerWaalsContact CD-CH2 3.49Å; Q312-W379 HydrophobicContact CG-CH2 3.41Å; Q312-W379 VanDerWaalsContact CG-CH2 3.41Å; Q312-W379 HydrophobicContact CG-CZ3 3.58Å
313Q97.8Very high98.1Very high42 Ų4254 Ų5420%0.19628%0.277CS..SBendtrans-66.1-55.5177.6175168.6300112.3G105 L108 N206G105-Q313 PolarHBondContact O-NE2 3.3Å; L108-Q313 HydrophobicContact CD1-CB 4.15Å; L108-Q313 HydrophobicContact CD1-CG 3.74Å; N206-Q313 PolarHBondContact ND2-NE2 3.11Å
314S98.3Very high98.1Very high3 Ų350.8 Ų50.82%0.02126%0.261CS..SBendtrans-83.5148-177.1174.50000112.5Y104 P208 M316 R318Y104-S314 WeakPolarHBondContact CD1-OG 3.26Å; P208-S314 WeakPolarHBondContact O-CB 3.42Å; P208-S314 PolarHBondContact O-OG 3.41Å; S314-M316 PolarHBondContact O-N 3.48Å; S314-M316 WeakPolarHBondContact OG-CB 3.46Å; S314-M316 PolarHBondContact OG-N 3.35Å; S314-R318 WeakPolarHBondContact O-CD 3.41Å
315M98.6Very high98.1Very high15 Ų1551.5 Ų51.57%0.07426%0.263CS..G310 helixtrans-75.2-5.7170.1-64.5-175.5-175.200113.5Y103 F317 R318 Q322 Y325Y103-M315 HydrophobicContact CD2-CB 4.27Å; Y103-M315 HydrophobicContact CD2-SD 4.3Å; Y103-M315 HydrophobicContact CE1-CB 4.44Å; Y103-M315 HydrophobicContact CE2-CB 4.19Å; Y103-M315 HydrophobicContact CG-CB 4.46Å; Y103-M315 VanDerWaalsContact O-CB 3.27Å; Y103-M315 WeakPolarHBondContact O-CB 3.36Å; Y103-M315 VanDerWaalsContact O-CG 3.31Å; Y103-M315 WeakPolarHBondContact O-CG 3.33Å; Y103-M315 PolarHBondContact O-N 3.28Å; M315-F317 PolarHBondContact O-N 2.86Å; M315-R318 PolarHBondContact O-N 3.25Å; M315-Q322 HydrophobicContact CB-CG 4.19Å; M315-Q322 VanDerWaalsContact O-CG 3.25Å; M315-Q322 WeakPolarHBondContact O-CG 3.06Å; M315-Q322 PolarHBondContact O-NE2 3.46Å; M315-Y325 HydrophobicContact SD-CG 4.41Å
316M98.1Very high98.2Very high79 Ų7956.8 Ų56.839%0.38928%0.279SS..G310 helixtrans-52.7-32.4-175.9-178.2166.1178.200114.4P208 L209 S314 Q322P208-M316 HydrophobicContact CB-SD 4.23Å; L209-M316 HydrophobicContact CD2-CE 3.83Å; L209-M316 HydrophobicContact CD2-SD 3.7Å; S314-M316 PolarHBondContact O-N 3.48Å; S314-M316 WeakPolarHBondContact OG-CB 3.46Å; S314-M316 PolarHBondContact OG-N 3.35Å; M316-Q322 PolarHBondContact O-NE2 2.93Å
317F98.1Very high98.3Very high112 Ų11254.5 Ų54.549%0.49127%0.268SS..G310 helixtrans-11020.1179.3-55.8-61.7000113.7L209 M315L209-F317 HydrophobicContact CB-CE2 4.49Å; L209-F317 HydrophobicContact CD2-CE2 4.02Å; L209-F317 HydrophobicContact CD2-CZ 3.64Å; M315-F317 PolarHBondContact O-N 2.86Å
318R98.4Very high98.3Very high5 Ų553.3 Ų53.32%0.01926%0.261CS..  trans-12777.6-171.1-69.5175.756.1-165.1-0.4110.8S310 Q312 S314 M315 L320 S321 Q322 S370 E373S310-R318 WeakPolarHBondContact OG-CD 3.37Å; S310-R318 VanDerWaalsContact OG-CZ 3.31Å; S310-R318 PolarHBondContact OG-NE 2.91Å; S310-R318 PolarHBondContact OG-NH1 3.5Å; Q312-R318 HydrophobicContact CB-CG 4.41Å; Q312-R318 PolarHBondContact O-NH1 3.33Å; S314-R318 WeakPolarHBondContact O-CD 3.41Å; M315-R318 PolarHBondContact O-N 3.25Å; R318-L320 VanDerWaalsContact C-N 3.31Å; R318-L320 PolarHBondContact O-N 3.4Å; R318-S321 PolarHBondContact NE-OG 2.84Å; R318-S321 PolarHBondContact NH2-OG 3.32Å; R318-S321 PolarHBondContact O-N 3.03Å; R318-S321 VanDerWaalsContact O-N 3.15Å; R318-Q322 WeakPolarHBondContact O-CG 3.06Å; R318-Q322 PolarHBondContact O-N 2.95Å; R318-S370 PolarHBondContact NH2-OG 3.21Å; R318-E373 VanDerWaalsContact CA-OE1 3.31Å; R318-E373 WeakPolarHBondContact CA-OE1 3.49Å; R318-E373 WeakPolarHBondContact CB-OE1 3.41Å; R318-E373 WeakPolarHBondContact CB-OE2 3.47Å; R318-E373 IonicContact CZ-OE2 3.59Å; R318-E373 IonicContact NE-OE2 2.85Å; R318-E373 PolarHBondContact NE-OE2 3.32Å; R318-E373 IonicContact NH2-OE2 3.41Å; R318-E373 PolarHBondContact NH2-OE2 3.46Å
319P98.3Very high98.4Very high90 Ų9052.8 Ų52.858%0.58426%0.264SS*.Hα-helixtrans-62.6-34.1-167.724.2-34.3000113.5Q322 S323P319-Q322 PolarHBondContact O-N 3.28Å; P319-S323 PolarHBondContact O-N 2.81Å; P319-S323 VanDerWaalsContact O-N 3.15Å
320L98.4Very high98.4Very high64 Ų6450.9 Ų50.934%0.33526%0.262SS..Hα-helixtrans-69.6-42.7177.5-59.8178.1000109.8R318 Q322 S323 L324 I369 I372 E373 M376R318-L320 VanDerWaalsContact C-N 3.31Å; R318-L320 PolarHBondContact O-N 3.4Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.07Å; L320-S323 PolarHBondContact O-N 2.91Å; L320-S323 PolarHBondContact O-OG 3.47Å; L320-L324 PolarHBondContact O-N 3.08Å; L320-L324 VanDerWaalsContact O-N 3.15Å; L320-I369 HydrophobicContact CB-CD1 4.45Å; L320-I369 HydrophobicContact CB-CG2 3.41Å; L320-I369 VanDerWaalsContact CB-CG2 3.41Å; L320-I369 HydrophobicContact CD1-CD1 4.35Å; L320-I369 HydrophobicContact CD1-CG2 4.45Å; L320-I372 HydrophobicContact CD1-CG2 4.35Å; L320-E373 HydrophobicContact CB-CG 4.24Å; L320-E373 WeakPolarHBondContact CB-OE1 3.38Å; L320-E373 HydrophobicContact CD1-CG 4.19Å; L320-E373 HydrophobicContact CG-CG 4.49Å; L320-E373 PolarHBondContact N-OE1 3.24Å; L320-M376 HydrophobicContact CD1-SD 4.05Å
321S98.6Very high98.5Very high1 Ų150.6 Ų50.61%0.00726%0.259CS..Hα-helixtrans-64.8-35.8175.3-63.60000113.1R318 S323 L324 Y325 E373R318-S321 PolarHBondContact NE-OG 2.84Å; R318-S321 PolarHBondContact NH2-OG 3.32Å; R318-S321 PolarHBondContact O-N 3.03Å; R318-S321 VanDerWaalsContact O-N 3.15Å; S321-S323 VanDerWaalsContact C-N 3.33Å; S321-S323 PolarHBondContact O-N 3.44Å; S321-L324 PolarHBondContact O-N 3.4Å; S321-Y325 PolarHBondContact O-N 3.36Å; S321-E373 PolarHBondContact N-OE1 3.23Å; S321-E373 PolarHBondContact OG-OE1 3.44Å; S321-E373 PolarHBondContact OG-OE2 3.11Å
322Q98.8Very high98.5Very high53 Ų5346.9 Ų46.925%0.24825%0.246CC..Hα-helixtrans-60.2-43.5172.7-69.6178.435.700111.7Y103 M315 M316 R318 P319 L320 L324 Y325 W326Y103-Q322 HydrophobicContact CE2-CB 4.47Å; Y103-Q322 HydrophobicContact CE2-CG 3.93Å; Y103-Q322 WeakPolarHBondContact OH-CG 3.35Å; Y103-Q322 PolarHBondContact OH-OE1 3.36Å; M315-Q322 HydrophobicContact CB-CG 4.19Å; M315-Q322 VanDerWaalsContact O-CG 3.25Å; M315-Q322 WeakPolarHBondContact O-CG 3.06Å; M315-Q322 PolarHBondContact O-NE2 3.46Å; M316-Q322 PolarHBondContact O-NE2 2.93Å; R318-Q322 WeakPolarHBondContact O-CG 3.06Å; R318-Q322 PolarHBondContact O-N 2.95Å; P319-Q322 PolarHBondContact O-N 3.28Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.07Å; Q322-L324 VanDerWaalsContact C-N 3.33Å; Q322-L324 PolarHBondContact O-N 3.38Å; Q322-Y325 PolarHBondContact O-N 3.45Å; Q322-W326 PolarHBondContact O-N 3.01Å
323S98.5Very high98.6Very high69 Ų6950.9 Ų50.948%0.48327%0.268SS..Hα-helixtrans-61.9-40.9177.476.10000112P319 L320 S321 W326 L327P319-S323 PolarHBondContact O-N 2.81Å; P319-S323 VanDerWaalsContact O-N 3.15Å; L320-S323 PolarHBondContact O-N 2.91Å; L320-S323 PolarHBondContact O-OG 3.47Å; S321-S323 VanDerWaalsContact C-N 3.33Å; S321-S323 PolarHBondContact O-N 3.44Å; S323-W326 PolarHBondContact O-N 2.88Å; S323-L327 WeakPolarHBondContact O-CB 3.31Å; S323-L327 PolarHBondContact O-N 3.46Å
324L98.6Very high98.6Very high17 Ų1752.1 Ų52.19%0.08928%0.275CS..Hα-helixtrans-68.6-35.6175.6-72.8-173.1000113.2L320 S321 Q322 L327 L328 L365 M366 I369L320-L324 PolarHBondContact O-N 3.08Å; L320-L324 VanDerWaalsContact O-N 3.15Å; S321-L324 PolarHBondContact O-N 3.4Å; Q322-L324 VanDerWaalsContact C-N 3.33Å; Q322-L324 PolarHBondContact O-N 3.38Å; L324-L327 HydrophobicContact CD2-CD2 4.07Å; L324-L327 PolarHBondContact O-N 2.85Å; L324-L328 WeakPolarHBondContact O-CB 3.34Å; L324-L328 PolarHBondContact O-N 3.06Å; L324-L365 HydrophobicContact CD1-CB 3.75Å; L324-L365 HydrophobicContact CD2-CB 4.21Å; L324-L365 HydrophobicContact CD2-CD1 4.24Å; L324-M366 HydrophobicContact CB-CE 4.45Å; L324-M366 HydrophobicContact CB-CG 4.32Å; L324-M366 HydrophobicContact CD1-CG 4.16Å; L324-I369 HydrophobicContact CD1-CB 3.87Å; L324-I369 HydrophobicContact CD1-CG1 3.55Å; L324-I369 HydrophobicContact CD1-CG2 4.32Å; L324-I369 HydrophobicContact CG-CG1 4.44Å
325Y98.8Very high98.6Very high33 Ų3352 Ų5213%0.12927%0.274CS..Hα-helixtrans-61.4-46.4173.5170.6-91.5000111.2G99 L102 Y103 M315 S321 Q322 L328 A329G99-Y325 WeakPolarHBondContact O-CE2 3.39Å; G99-Y325 PolarHBondContact O-OH 2.96Å; L102-Y325 HydrophobicContact CB-CD2 4.49Å; L102-Y325 HydrophobicContact CB-CE2 4.19Å; Y103-Y325 AromaticContact CD2-CD1 3.5Å; Y103-Y325 HydrophobicContact CD2-CD1 3.5Å; Y103-Y325 HydrophobicContact CD2-CD2 4.05Å; Y103-Y325 AromaticContact CD2-CE1 3.75Å; Y103-Y325 HydrophobicContact CD2-CE1 3.75Å; Y103-Y325 HydrophobicContact CD2-CE2 4.27Å; Y103-Y325 AromaticContact CD2-CG 3.67Å; Y103-Y325 HydrophobicContact CD2-CG 3.67Å; Y103-Y325 HydrophobicContact CE2-CD1 4.05Å; Y103-Y325 HydrophobicContact CE2-CE1 4.47Å; Y103-Y325 HydrophobicContact CE2-CG 4.41Å; Y103-Y325 HydrophobicContact CG-CE1 4.5Å; M315-Y325 HydrophobicContact SD-CG 4.41Å; S321-Y325 PolarHBondContact O-N 3.36Å; Q322-Y325 PolarHBondContact O-N 3.45Å; Y325-L328 WeakPolarHBondContact O-CB 2.95Å; Y325-L328 PolarHBondContact O-N 3.1Å; Y325-A329 PolarHBondContact O-N 3.04Å
326W98.8Very high98.6Very high145 Ų14553 Ų5355%0.54928%0.281SS..Hα-helixtrans-70.9-31.9178.3-72116.7000112.8Q322 S323 A329 A330Q322-W326 PolarHBondContact O-N 3.01Å; S323-W326 PolarHBondContact O-N 2.88Å; W326-A329 HydrophobicContact CE3-CB 4.13Å; W326-A329 PolarHBondContact O-N 3.23Å; W326-A330 WeakPolarHBondContact O-CB 3.26Å; W326-A330 PolarHBondContact O-N 3.28Å
327L98.7Very high98.7Very high70 Ų7055.4 Ų55.437%0.36629%0.286SS..Hα-helixtrans-59.6-47.6168.518065.2000111S323 L324 A329 A330 D331 L357S323-L327 WeakPolarHBondContact O-CB 3.31Å; S323-L327 PolarHBondContact O-N 3.46Å; L324-L327 HydrophobicContact CD2-CD2 4.07Å; L324-L327 PolarHBondContact O-N 2.85Å; L327-A329 VanDerWaalsContact C-N 3.35Å; L327-A329 PolarHBondContact O-N 3.17Å; L327-A330 PolarHBondContact O-N 3.07Å; L327-D331 WeakPolarHBondContact O-CB 3.41Å; L327-D331 PolarHBondContact O-N 3.07Å; L327-L357 HydrophobicContact CD1-CD2 4.27Å; L327-L357 HydrophobicContact CD2-CD1 4.34Å
328L98.8Very high98.7Very high9 Ų950.2 Ų50.25%0.04726%0.264CS..Hα-helixtrans-61.5-42.1176.8178.863.5000111.9L324 Y325 D331 L332 Y358 T361 I362 M366L324-L328 WeakPolarHBondContact O-CB 3.34Å; L324-L328 PolarHBondContact O-N 3.06Å; Y325-L328 WeakPolarHBondContact O-CB 2.95Å; Y325-L328 PolarHBondContact O-N 3.1Å; L328-D331 PolarHBondContact O-N 2.91Å; L328-L332 WeakPolarHBondContact O-CG 3.24Å; L328-L332 PolarHBondContact O-N 3.09Å; L328-Y358 HydrophobicContact CD1-CD2 3.65Å; L328-Y358 HydrophobicContact CD1-CE2 3.93Å; L328-T361 HydrophobicContact CB-CG2 4.12Å; L328-I362 HydrophobicContact CD1-CD1 4.08Å; L328-I362 HydrophobicContact CD1-CG1 4.08Å; L328-I362 HydrophobicContact CD2-CD1 4.24Å; L328-I362 HydrophobicContact CD2-CG1 3.94Å; L328-M366 HydrophobicContact CB-CE 4.28Å; L328-M366 HydrophobicContact CD2-CE 3.81Å
329A98.8Very high98.7Very high29 Ų2950 Ų5024%0.2426%0.263CS..Hα-helixtrans-63.3-43.4176.600000111.8Y325 W326 L327 L332 L333Y325-A329 PolarHBondContact O-N 3.04Å; W326-A329 HydrophobicContact CE3-CB 4.13Å; W326-A329 PolarHBondContact O-N 3.23Å; L327-A329 VanDerWaalsContact C-N 3.35Å; L327-A329 PolarHBondContact O-N 3.17Å; A329-L332 PolarHBondContact O-N 3.2Å; A329-L333 WeakPolarHBondContact O-CG 3.46Å; A329-L333 PolarHBondContact O-N 3.01Å
330A98.8Very high98.6Very high46 Ų4646.7 Ų46.738%0.3825%0.245SC..Hα-helixtrans-64.8-40.5175.600000112W326 L327 L333 I334W326-A330 WeakPolarHBondContact O-CB 3.26Å; W326-A330 PolarHBondContact O-N 3.28Å; L327-A330 PolarHBondContact O-N 3.07Å; A330-L333 WeakPolarHBondContact O-CB 3.38Å; A330-L333 PolarHBondContact O-N 3.36Å; A330-I334 WeakPolarHBondContact O-CG1 3.4Å; A330-I334 PolarHBondContact O-N 2.79Å
331D98.9Very high98.6Very high4 Ų446.2 Ų46.22%0.02124%0.241CC..Hα-helixtrans-63.3-41176.9-172.754.4000112L327 L328 L333 I334 L335 A354 L357 Y358L327-D331 WeakPolarHBondContact O-CB 3.41Å; L327-D331 PolarHBondContact O-N 3.07Å; L328-D331 PolarHBondContact O-N 2.91Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.07Å; D331-I334 WeakPolarHBondContact O-CB 3.39Å; D331-I334 PolarHBondContact O-N 3.01Å; D331-I334 VanDerWaalsContact O-N 3.14Å; D331-L335 WeakPolarHBondContact O-CG 3.24Å; D331-L335 PolarHBondContact O-N 2.93Å; D331-A354 WeakPolarHBondContact OD1-CA 3.21Å; D331-A354 WeakPolarHBondContact OD1-CB 3.27Å; D331-A354 VanDerWaalsContact OD2-O 3.09Å; D331-L357 HydrophobicContact CB-CD2 4.27Å; D331-Y358 VanDerWaalsContact OD2-CA 3.27Å; D331-Y358 WeakPolarHBondContact OD2-CA 3.42Å; D331-Y358 WeakPolarHBondContact OD2-CB 3.39Å; D331-Y358 PolarHBondContact OD2-N 2.87Å; D331-Y358 VanDerWaalsContact OD2-N 3.1Å
332L98.9Very high98.5Very high56 Ų5648.9 Ų48.929%0.29326%0.259SS..Hα-helixtrans-61.1-36.9172.1-78.8168.6000113F276 L328 A329 L335 T336 Y358F276-L332 HydrophobicContact CB-CD2 4.21Å; F276-L332 HydrophobicContact CD2-CD2 3.65Å; F276-L332 HydrophobicContact CE2-CD2 4.33Å; F276-L332 HydrophobicContact CG-CD2 4.06Å; L328-L332 WeakPolarHBondContact O-CG 3.24Å; L328-L332 PolarHBondContact O-N 3.09Å; A329-L332 PolarHBondContact O-N 3.2Å; L332-L335 HydrophobicContact CD2-CD1 4.41Å; L332-T336 WeakPolarHBondContact O-CB 3.23Å; L332-T336 PolarHBondContact O-N 2.52Å; L332-T336 PolarHBondContact O-OG1 3.39Å; L332-Y358 HydrophobicContact CD2-CD2 4.03Å; L332-Y358 HydrophobicContact CD2-CE2 3.77Å; L332-Y358 HydrophobicContact CG-CD2 4.38Å; L332-Y358 HydrophobicContact CG-CE2 4.29Å
333L98.8Very high98.3Very high126 Ų12651.2 Ų51.266%0.6628%0.276SS*.Hα-helixtrans-67.2-39.5173.6-67.3173.6000111.5A329 A330 D331 T336 W337A329-L333 WeakPolarHBondContact O-CG 3.46Å; A329-L333 PolarHBondContact O-N 3.01Å; A330-L333 WeakPolarHBondContact O-CB 3.38Å; A330-L333 PolarHBondContact O-N 3.36Å; D331-L333 VanDerWaalsContact C-N 3.31Å; D331-L333 PolarHBondContact O-N 3.07Å; L333-T336 PolarHBondContact O-N 3.1Å; L333-W337 WeakPolarHBondContact O-CB 3.16Å; L333-W337 PolarHBondContact O-N 3.46Å
334I98.8Very high98.2Very high69 Ų6950.2 Ų50.235%0.35427%0.269SS..Hα-helixtrans-63.5-48.3174-68.1167.8000110.2A330 D331 T336 W337 I338 I350 A354A330-I334 WeakPolarHBondContact O-CG1 3.4Å; A330-I334 PolarHBondContact O-N 2.79Å; D331-I334 WeakPolarHBondContact O-CB 3.39Å; D331-I334 PolarHBondContact O-N 3.01Å; D331-I334 VanDerWaalsContact O-N 3.14Å; I334-T336 VanDerWaalsContact C-N 3.27Å; I334-T336 PolarHBondContact O-N 3.04Å; I334-W337 HydrophobicContact CG2-CE3 4.46Å; I334-W337 PolarHBondContact O-N 3.02Å; I334-I338 HydrophobicContact CG2-CG1 4.14Å; I334-I338 WeakPolarHBondContact O-CB 3.42Å; I334-I338 VanDerWaalsContact O-CG1 3.28Å; I334-I338 WeakPolarHBondContact O-CG1 3.2Å; I334-I338 PolarHBondContact O-N 3.48Å; I334-I350 HydrophobicContact CG2-CG2 4.02Å; I334-A354 HydrophobicContact CG2-CB 4.1Å
335L98.9Very high98.1Very high0 Ų059.1 Ų59.10%030%0.303CS..Hα-helixtrans-57.6-41.2176.3-73.1170.7000111.7F276 T279 I280 D331 L332 G339 A354 Y358F276-L335 HydrophobicContact CB-CB 3.93Å; T279-L335 WeakPolarHBondContact CB-O 3.31Å; T279-L335 HydrophobicContact CG2-CD2 3.52Å; T279-L335 PolarHBondContact OG1-O 3.14Å; I280-L335 HydrophobicContact CD1-CD1 4.06Å; I280-L335 HydrophobicContact CG1-CD1 4.22Å; I280-L335 HydrophobicContact CG1-CD2 4.15Å; D331-L335 WeakPolarHBondContact O-CG 3.24Å; D331-L335 PolarHBondContact O-N 2.93Å; L332-L335 HydrophobicContact CD2-CD1 4.41Å; L335-G339 PolarHBondContact O-N 2.92Å; L335-A354 HydrophobicContact CD2-CB 3.6Å; L335-A354 HydrophobicContact CG-CB 3.97Å; L335-Y358 HydrophobicContact CD1-CD2 4.25Å; L335-Y358 HydrophobicContact CD1-CG 4.29Å
336T98.8Very high98Very high36 Ų3660 Ų6022%0.22131%0.312CS..Hα-helixtrans-63.1-48.4175.6-59.10000111.1L275 L332 L333 I334 G339 G340L275-T336 HydrophobicContact CB-CG2 4.11Å; L275-T336 WeakPolarHBondContact CB-O 3.39Å; L275-T336 HydrophobicContact CD1-CG2 4.38Å; L332-T336 WeakPolarHBondContact O-CB 3.23Å; L332-T336 PolarHBondContact O-N 2.52Å; L332-T336 PolarHBondContact O-OG1 3.39Å; L333-T336 PolarHBondContact O-N 3.1Å; I334-T336 VanDerWaalsContact C-N 3.27Å; I334-T336 PolarHBondContact O-N 3.04Å; T336-G339 PolarHBondContact O-N 2.86Å; T336-G340 PolarHBondContact O-N 2.68Å
337W98.7Very high98Very high129 Ų12955.2 Ų55.249%0.48930%0.296SS..Hα-helixtrans-59.5-49.4177.6166.257.8000112L333 I334 G339 G340 Q341 F347L333-W337 WeakPolarHBondContact O-CB 3.16Å; L333-W337 PolarHBondContact O-N 3.46Å; I334-W337 HydrophobicContact CG2-CE3 4.46Å; I334-W337 PolarHBondContact O-N 3.02Å; W337-G339 PolarHBondContact O-N 2.85Å; W337-G340 PolarHBondContact O-N 3.41Å; W337-G340 VanDerWaalsContact O-N 3.09Å; W337-Q341 WeakPolarHBondContact O-CG 3.37Å; W337-F347 HydrophobicContact CH2-CD1 4.4Å; W337-F347 HydrophobicContact CH2-CE1 4.05Å; W337-F347 HydrophobicContact CZ2-CD1 4.43Å; W337-F347 AromaticContact CZ2-CE1 3.79Å; W337-F347 HydrophobicContact CZ2-CE1 3.79Å
338I98.6Very high97.9Very high4 Ų454.4 Ų54.42%0.02129%0.294CS..Hα-helixtrans-61.8-31.5178-65.2-62.2000111.6T279 R282 I334 G340 Q341 F347 I350T279-I338 HydrophobicContact CG2-CB 4.04Å; T279-I338 HydrophobicContact CG2-CG2 3.64Å; R282-I338 PolarHBondContact NH2-O 3.24Å; I334-I338 HydrophobicContact CG2-CG1 4.14Å; I334-I338 WeakPolarHBondContact O-CB 3.42Å; I334-I338 VanDerWaalsContact O-CG1 3.28Å; I334-I338 WeakPolarHBondContact O-CG1 3.2Å; I334-I338 PolarHBondContact O-N 3.48Å; I338-G340 PolarHBondContact O-N 3.43Å; I338-Q341 WeakPolarHBondContact O-CB 3.27Å; I338-Q341 PolarHBondContact O-N 3.15Å; I338-F347 HydrophobicContact CD1-CB 4.28Å; I338-F347 HydrophobicContact CD1-CD1 3.76Å; I338-F347 HydrophobicContact CD1-CG 4.47Å; I338-I350 HydrophobicContact CD1-CB 3.89Å; I338-I350 HydrophobicContact CD1-CD1 4.37Å; I338-I350 HydrophobicContact CD1-CG2 3.65Å; I338-I350 HydrophobicContact CG1-CB 4.39Å; I338-I350 HydrophobicContact CG1-CG2 3.84Å
339G98Very high97.9Very high0 Ų057.9 Ų57.90%031%0.311CS..Hα-helixtrans-61.4-32.7177.400000112.2T279 R282 L335 T336 W337 Q341T279-G339 WeakPolarHBondContact OG1-CA 3.17Å; T279-G339 PolarHBondContact OG1-N 3.04Å; R282-G339 PolarHBondContact NH2-O 3.09Å; L335-G339 PolarHBondContact O-N 2.92Å; T336-G339 PolarHBondContact O-N 2.86Å; W337-G339 PolarHBondContact O-N 2.85Å; G339-Q341 VanDerWaalsContact C-N 3.33Å
340G96.9Very high97.9Very high21 Ų2159.1 Ų59.122%0.21631%0.313CS..THydrogen-bonded Turntrans-80.1-9175.200000114.7H267 T336 W337 I338H267-G340 PolarHBondContact CE1-O 3.31Å; H267-G340 VanDerWaalsContact CE1-O 3.28Å; T336-G340 PolarHBondContact O-N 2.68Å; W337-G340 PolarHBondContact O-N 3.41Å; W337-G340 VanDerWaalsContact O-N 3.09Å; I338-G340 PolarHBondContact O-N 3.43Å
341Q97.9Very high97.9Very high53 Ų5357 Ų5725%0.24830%0.296CS..SBendtrans-93.9152.5-178.7-57.7-50.7-4400112.5H267 R282 W337 I338 G339 F347H267-Q341 PolarHBondContact NE2-O 3.27Å; R282-Q341 PolarHBondContact NH1-O 2.73Å; R282-Q341 VanDerWaalsContact NH1-O 3.14Å; R282-Q341 PolarHBondContact NH2-O 3.24Å; W337-Q341 WeakPolarHBondContact O-CG 3.37Å; I338-Q341 WeakPolarHBondContact O-CB 3.27Å; I338-Q341 PolarHBondContact O-N 3.15Å; G339-Q341 VanDerWaalsContact C-N 3.33Å; Q341-F347 HydrophobicContact CB-CB 4.1Å; Q341-F347 HydrophobicContact CB-CD1 3.94Å; Q341-F347 HydrophobicContact CB-CD2 3.73Å; Q341-F347 HydrophobicContact CB-CE1 4.28Å; Q341-F347 HydrophobicContact CB-CE2 4.07Å; Q341-F347 HydrophobicContact CB-CG 3.64Å; Q341-F347 HydrophobicContact CB-CZ 4.33Å; Q341-F347 HydrophobicContact CG-CD1 3.81Å; Q341-F347 HydrophobicContact CG-CD2 4.31Å; Q341-F347 HydrophobicContact CG-CE1 3.82Å; Q341-F347 HydrophobicContact CG-CE2 4.3Å; Q341-F347 HydrophobicContact CG-CG 4.06Å; Q341-F347 HydrophobicContact CG-CZ 4.06Å
342P95.9Very high97.9Very high58 Ų5860 Ų6038%0.37731%0.31SS..  trans-66.2153.7175.328.5-35.9000112S344 F347P342-S344 VanDerWaalsContact C-N 3.32Å; P342-S344 PolarHBondContact O-N 3.47Å; P342-S344 PolarHBondContact O-OG 2.82Å; P342-F347 HydrophobicContact CG-CD2 4.38Å; P342-F347 HydrophobicContact CG-CE2 4.45Å
343V95.1Very high97.9Very high101 Ų10161.7 Ų61.761%0.61232%0.322SS*.SBendtrans-74.285.8175.9-172.70000109.6
344S96.1Very high97.9Very high48 Ų4855.9 Ų55.934%0.33629%0.293SS..  trans-152.8163.5-178.257.90000110.5P342 P346 F347 T348P342-S344 VanDerWaalsContact C-N 3.32Å; P342-S344 PolarHBondContact O-N 3.47Å; P342-S344 PolarHBondContact O-OG 2.82Å; S344-P346 CarbonylContact O-C 3.51Å; S344-F347 WeakPolarHBondContact O-CA 3.49Å; S344-F347 PolarHBondContact O-N 3.11Å; S344-T348 PolarHBondContact N-OG1 3.4Å; S344-T348 PolarHBondContact O-N 3.04Å; S344-T348 PolarHBondContact O-OG1 3.24Å
345Y96.3Very high97.9Very high204 Ų20453 Ų5380%0.828%0.279SS*.THydrogen-bonded Turntrans-68.1135.9171.2-179.6-91.3000110.3I349Y345-I349 HydrophobicContact CD2-CG2 4.47Å; Y345-I349 HydrophobicContact CE2-CG2 4.34Å
346P97.4Very high97.9Very high51 Ų5157.5 Ų57.533%0.33131%0.306SS..THydrogen-bonded Turncis-93.31.42.836.9-35.6000114.7S344 T348 I349 I350S344-P346 CarbonylContact O-C 3.51Å; P346-T348 VanDerWaalsContact C-N 3.32Å; P346-T348 PolarHBondContact O-N 2.92Å; P346-I349 HydrophobicContact CB-CG2 4.45Å; P346-I349 WeakPolarHBondContact O-CG2 3.49Å; P346-I349 PolarHBondContact O-N 2.97Å; P346-I350 HydrophobicContact CB-CD1 4.22Å; P346-I350 HydrophobicContact CG-CD1 4.23Å; P346-I350 WeakPolarHBondContact O-CG1 3.39Å; P346-I350 PolarHBondContact O-N 2.91Å; P346-I350 VanDerWaalsContact O-N 3.15Å
347F98.4Very high97.9Very high46 Ų4658.4 Ų58.420%0.20231%0.309CS..Hα-helixtrans-62.3-35.1-173.5-56.5-54.7000113.9W337 I338 Q341 P342 S344 I349 I350 G351W337-F347 HydrophobicContact CH2-CD1 4.4Å; W337-F347 HydrophobicContact CH2-CE1 4.05Å; W337-F347 HydrophobicContact CZ2-CD1 4.43Å; W337-F347 AromaticContact CZ2-CE1 3.79Å; W337-F347 HydrophobicContact CZ2-CE1 3.79Å; I338-F347 HydrophobicContact CD1-CB 4.28Å; I338-F347 HydrophobicContact CD1-CD1 3.76Å; I338-F347 HydrophobicContact CD1-CG 4.47Å; Q341-F347 HydrophobicContact CB-CB 4.1Å; Q341-F347 HydrophobicContact CB-CD1 3.94Å; Q341-F347 HydrophobicContact CB-CD2 3.73Å; Q341-F347 HydrophobicContact CB-CE1 4.28Å; Q341-F347 HydrophobicContact CB-CE2 4.07Å; Q341-F347 HydrophobicContact CB-CG 3.64Å; Q341-F347 HydrophobicContact CB-CZ 4.33Å; Q341-F347 HydrophobicContact CG-CD1 3.81Å; Q341-F347 HydrophobicContact CG-CD2 4.31Å; Q341-F347 HydrophobicContact CG-CE1 3.82Å; Q341-F347 HydrophobicContact CG-CE2 4.3Å; Q341-F347 HydrophobicContact CG-CG 4.06Å; Q341-F347 HydrophobicContact CG-CZ 4.06Å; P342-F347 HydrophobicContact CG-CD2 4.38Å; P342-F347 HydrophobicContact CG-CE2 4.45Å; S344-F347 WeakPolarHBondContact O-CA 3.49Å; S344-F347 PolarHBondContact O-N 3.11Å; F347-I349 PolarHBondContact O-N 3.46Å; F347-I350 PolarHBondContact O-N 3.25Å; F347-G351 PolarHBondContact O-N 3.15Å
348T97.9Very high97.9Very high53 Ų5352.8 Ų52.833%0.32529%0.288SS..Hα-helixtrans-59.3-48.2176.9-54.90000111.9S344 P346 G351 Q352S344-T348 PolarHBondContact N-OG1 3.4Å; S344-T348 PolarHBondContact O-N 3.04Å; S344-T348 PolarHBondContact O-OG1 3.24Å; P346-T348 VanDerWaalsContact C-N 3.32Å; P346-T348 PolarHBondContact O-N 2.92Å; T348-G351 PolarHBondContact O-N 2.86Å; T348-Q352 WeakPolarHBondContact O-CG 3.22Å; T348-Q352 PolarHBondContact O-N 3.42Å; T348-Q352 VanDerWaalsContact O-N 3.08Å
349I98.5Very high97.9Very high81 Ų8154.7 Ų54.742%0.41530%0.296SS..Hα-helixtrans-71.9-36.3-178.6-173.861000111.5Y345 P346 F347 G351 Q352 V353Y345-I349 HydrophobicContact CD2-CG2 4.47Å; Y345-I349 HydrophobicContact CE2-CG2 4.34Å; P346-I349 HydrophobicContact CB-CG2 4.45Å; P346-I349 WeakPolarHBondContact O-CG2 3.49Å; P346-I349 PolarHBondContact O-N 2.97Å; F347-I349 PolarHBondContact O-N 3.46Å; I349-G351 VanDerWaalsContact C-N 3.35Å; I349-G351 PolarHBondContact O-N 2.82Å; I349-Q352 PolarHBondContact O-N 2.9Å; I349-V353 HydrophobicContact CD1-CG2 4.31Å; I349-V353 HydrophobicContact CG1-CG2 4.41Å; I349-V353 WeakPolarHBondContact O-CG2 3.39Å; I349-V353 PolarHBondContact O-N 3.11Å
350I98.8Very high98Very high55 Ų5556.9 Ų56.928%0.28231%0.31SS..Hα-helixtrans-61.9-45.4174.6-61.4165.4000110.1I334 I338 P346 F347 Q352 V353 A354I334-I350 HydrophobicContact CG2-CG2 4.02Å; I338-I350 HydrophobicContact CD1-CB 3.89Å; I338-I350 HydrophobicContact CD1-CD1 4.37Å; I338-I350 HydrophobicContact CD1-CG2 3.65Å; I338-I350 HydrophobicContact CG1-CB 4.39Å; I338-I350 HydrophobicContact CG1-CG2 3.84Å; P346-I350 HydrophobicContact CB-CD1 4.22Å; P346-I350 HydrophobicContact CG-CD1 4.23Å; P346-I350 WeakPolarHBondContact O-CG1 3.39Å; P346-I350 PolarHBondContact O-N 2.91Å; P346-I350 VanDerWaalsContact O-N 3.15Å; F347-I350 PolarHBondContact O-N 3.25Å; I350-Q352 VanDerWaalsContact C-N 3.34Å; I350-Q352 PolarHBondContact O-N 2.94Å; I350-V353 PolarHBondContact O-N 3.25Å; I350-A354 VanDerWaalsContact O-CB 3.28Å; I350-A354 WeakPolarHBondContact O-CB 3.44Å; I350-A354 PolarHBondContact O-N 3.29Å
351G98.6Very high98Very high2 Ų255.9 Ų55.92%0.02130%0.299CS..Hα-helixtrans-59.1-43176.900000112.7S283 F347 T348 I349 S355S283-G351 PolarHBondContact OG-O 3.36Å; S283-G351 VanDerWaalsContact OG-O 3.04Å; F347-G351 PolarHBondContact O-N 3.15Å; T348-G351 PolarHBondContact O-N 2.86Å; I349-G351 VanDerWaalsContact C-N 3.35Å; I349-G351 PolarHBondContact O-N 2.82Å; G351-S355 WeakPolarHBondContact O-CB 3.27Å; G351-S355 PolarHBondContact O-N 3.27Å; G351-S355 PolarHBondContact O-OG 2.85Å
352Q98.8Very high98.1Very high68 Ų6853.6 Ų53.632%0.31829%0.289SS..Hα-helixtrans-62.9-48.7176.6-74.4173.8-23.300112.3S283 T348 I349 I350 S355 V356S283-Q352 WeakPolarHBondContact O-CG 3.21Å; S283-Q352 PolarHBondContact O-NE2 2.67Å; S283-Q352 PolarHBondContact OG-N 3.4Å; T348-Q352 WeakPolarHBondContact O-CG 3.22Å; T348-Q352 PolarHBondContact O-N 3.42Å; T348-Q352 VanDerWaalsContact O-N 3.08Å; I349-Q352 PolarHBondContact O-N 2.9Å; I350-Q352 VanDerWaalsContact C-N 3.34Å; I350-Q352 PolarHBondContact O-N 2.94Å; Q352-S355 PolarHBondContact O-N 3.45Å; Q352-V356 WeakPolarHBondContact O-CG2 3.22Å; Q352-V356 PolarHBondContact O-N 2.95Å
353V98.8Very high98.2Very high90 Ų9054.5 Ų54.555%0.54529%0.29SS..Hα-helixtrans-62.7-45.8178.9172.60000111I349 I350 S355 V356 L357I349-V353 HydrophobicContact CD1-CG2 4.31Å; I349-V353 HydrophobicContact CG1-CG2 4.41Å; I349-V353 WeakPolarHBondContact O-CG2 3.39Å; I349-V353 PolarHBondContact O-N 3.11Å; I350-V353 PolarHBondContact O-N 3.25Å; V353-S355 VanDerWaalsContact C-N 3.34Å; V353-S355 PolarHBondContact O-N 2.96Å; V353-V356 PolarHBondContact O-N 2.98Å; V353-L357 WeakPolarHBondContact O-CB 3.46Å; V353-L357 PolarHBondContact O-N 2.94Å
354A98.8Very high98.4Very high4 Ų454.2 Ų54.23%0.03328%0.284CS..Hα-helixtrans-61.6-41.7176.500000111.6D331 I334 L335 I350 V356 L357 Y358D331-A354 WeakPolarHBondContact OD1-CA 3.21Å; D331-A354 WeakPolarHBondContact OD1-CB 3.27Å; D331-A354 VanDerWaalsContact OD2-O 3.09Å; I334-A354 HydrophobicContact CG2-CB 4.1Å; L335-A354 HydrophobicContact CD2-CB 3.6Å; L335-A354 HydrophobicContact CG-CB 3.97Å; I350-A354 VanDerWaalsContact O-CB 3.28Å; I350-A354 WeakPolarHBondContact O-CB 3.44Å; I350-A354 PolarHBondContact O-N 3.29Å; A354-V356 VanDerWaalsContact C-N 3.34Å; A354-V356 PolarHBondContact O-N 2.75Å; A354-L357 WeakPolarHBondContact O-CB 3.37Å; A354-L357 PolarHBondContact O-N 2.75Å; A354-L357 VanDerWaalsContact O-N 3.14Å; A354-Y358 PolarHBondContact O-N 3.3Å
355S98.8Very high98.5Very high10 Ų1054.5 Ų54.57%0.0728%0.282CS..Hα-helixtrans-63.5-40.3177.6-56.40000111.9S283 G351 Q352 V353 F359S283-S355 WeakPolarHBondContact CB-OG 3.23Å; S283-S355 PolarHBondContact OG-OG 3.32Å; G351-S355 WeakPolarHBondContact O-CB 3.27Å; G351-S355 PolarHBondContact O-N 3.27Å; G351-S355 PolarHBondContact O-OG 2.85Å; Q352-S355 PolarHBondContact O-N 3.45Å; V353-S355 VanDerWaalsContact C-N 3.34Å; V353-S355 PolarHBondContact O-N 2.96Å; S355-F359 VanDerWaalsContact O-CD2 3.29Å; S355-F359 WeakPolarHBondContact O-CD2 3.5Å; S355-F359 PolarHBondContact O-N 3.24Å
356V98.8Very high98.6Very high94 Ų9446.2 Ų46.257%0.5725%0.25SS*.Hα-helixtrans-65-42.9173.5171.60000110.7Q352 V353 A354 Y358 F359 T360Q352-V356 WeakPolarHBondContact O-CG2 3.22Å; Q352-V356 PolarHBondContact O-N 2.95Å; V353-V356 PolarHBondContact O-N 2.98Å; A354-V356 VanDerWaalsContact C-N 3.34Å; A354-V356 PolarHBondContact O-N 2.75Å; V356-Y358 PolarHBondContact O-N 2.94Å; V356-F359 PolarHBondContact O-N 3.48Å; V356-T360 WeakPolarHBondContact O-CB 3.32Å; V356-T360 PolarHBondContact O-N 2.97Å; V356-T360 PolarHBondContact O-OG1 3.11Å
357L98.8Very high98.6Very high54 Ų5444.4 Ų44.428%0.28324%0.239SC..Hα-helixtrans-61.8-42.5179-176.360.5000111.7L327 D331 V353 A354 T360 T361L327-L357 HydrophobicContact CD1-CD2 4.27Å; L327-L357 HydrophobicContact CD2-CD1 4.34Å; D331-L357 HydrophobicContact CB-CD2 4.27Å; V353-L357 WeakPolarHBondContact O-CB 3.46Å; V353-L357 PolarHBondContact O-N 2.94Å; A354-L357 WeakPolarHBondContact O-CB 3.37Å; A354-L357 PolarHBondContact O-N 2.75Å; A354-L357 VanDerWaalsContact O-N 3.14Å; L357-T360 PolarHBondContact O-N 3Å; L357-T361 VanDerWaalsContact O-CB 3.23Å; L357-T361 WeakPolarHBondContact O-CB 3.4Å; L357-T361 PolarHBondContact O-N 2.92Å; L357-T361 PolarHBondContact O-OG1 3.37Å
358Y98.9Very high98.6Very high11 Ų1145 Ų454%0.04325%0.247CC..Hα-helixtrans-53.3-58.5175.8176-98.1000112.1I280 S297 I300 L328 D331 L332 L335 A354 V356 T361 I362I280-Y358 HydrophobicContact CD1-CD1 3.93Å; I280-Y358 HydrophobicContact CD1-CE1 4.25Å; I280-Y358 HydrophobicContact CD1-CG 4.28Å; S297-Y358 PolarHBondContact O-OH 3.24Å; I300-Y358 HydrophobicContact CG2-CE1 4.14Å; I300-Y358 VanDerWaalsContact CG2-OH 3.28Å; I300-Y358 WeakPolarHBondContact CG2-OH 3.31Å; L328-Y358 HydrophobicContact CD1-CD2 3.65Å; L328-Y358 HydrophobicContact CD1-CE2 3.93Å; D331-Y358 VanDerWaalsContact OD2-CA 3.27Å; D331-Y358 WeakPolarHBondContact OD2-CA 3.42Å; D331-Y358 WeakPolarHBondContact OD2-CB 3.39Å; D331-Y358 PolarHBondContact OD2-N 2.87Å; D331-Y358 VanDerWaalsContact OD2-N 3.1Å; L332-Y358 HydrophobicContact CD2-CD2 4.03Å; L332-Y358 HydrophobicContact CD2-CE2 3.77Å; L332-Y358 HydrophobicContact CG-CD2 4.38Å; L332-Y358 HydrophobicContact CG-CE2 4.29Å; L335-Y358 HydrophobicContact CD1-CD2 4.25Å; L335-Y358 HydrophobicContact CD1-CG 4.29Å; A354-Y358 PolarHBondContact O-N 3.3Å; V356-Y358 PolarHBondContact O-N 2.94Å; Y358-T361 PolarHBondContact O-N 3.23Å; Y358-I362 HydrophobicContact CD1-CD1 4.48Å; Y358-I362 HydrophobicContact CD2-CD1 4.24Å; Y358-I362 HydrophobicContact CE1-CD1 3.95Å; Y358-I362 HydrophobicContact CE2-CD1 3.68Å; Y358-I362 PolarHBondContact O-N 3.36Å
359F98.8Very high98.6Very high45 Ų4544.1 Ų44.120%0.19724%0.239CC..Hα-helixtrans-67.1-40.4-178.9-74.7-72.3000112I280 L296 I300 S355 V356 T361 I362 L363I280-F359 HydrophobicContact CG2-CE2 3.86Å; I280-F359 HydrophobicContact CG2-CZ 4.33Å; L296-F359 HydrophobicContact CB-CE1 4.21Å; L296-F359 HydrophobicContact CB-CZ 4.32Å; I300-F359 HydrophobicContact CD1-CD1 3.72Å; I300-F359 HydrophobicContact CD1-CE1 4.09Å; S355-F359 VanDerWaalsContact O-CD2 3.29Å; S355-F359 WeakPolarHBondContact O-CD2 3.5Å; S355-F359 PolarHBondContact O-N 3.24Å; V356-F359 PolarHBondContact O-N 3.48Å; F359-T361 VanDerWaalsContact C-N 3.33Å; F359-T361 PolarHBondContact O-N 3.41Å; F359-I362 PolarHBondContact O-N 2.95Å; F359-L363 HydrophobicContact CB-CD1 4.44Å; F359-L363 HydrophobicContact CD1-CD1 4.42Å; F359-L363 VanDerWaalsContact O-CB 3.27Å; F359-L363 WeakPolarHBondContact O-CB 3.29Å; F359-L363 WeakPolarHBondContact O-CG 3.4Å; F359-L363 PolarHBondContact O-N 3.36Å
360T98.8Very high98.6Very high45 Ų4540.5 Ų40.528%0.27622%0.221SC..Hα-helixtrans-64.1-40.1179.5-57.80000111.4V356 L357 I364 L365V356-T360 WeakPolarHBondContact O-CB 3.32Å; V356-T360 PolarHBondContact O-N 2.97Å; V356-T360 PolarHBondContact O-OG1 3.11Å; L357-T360 PolarHBondContact O-N 3Å; T360-I364 HydrophobicContact CG2-CB 4.42Å; T360-I364 HydrophobicContact CG2-CD1 4.42Å; T360-I364 WeakPolarHBondContact O-CA 3.27Å; T360-I364 WeakPolarHBondContact O-CB 3.38Å; T360-I364 PolarHBondContact O-N 2.8Å; T360-L365 HydrophobicContact CG2-CD1 4.4Å; T360-L365 HydrophobicContact CG2-CG 4.15Å; T360-L365 PolarHBondContact O-N 3.04Å
361T98.7Very high98.6Very high0 Ų041.8 Ų41.80%023%0.228CC..Iπ-helixtrans-62.7-47.6179.3-59.90000111L328 L357 Y358 F359 L365 M366L328-T361 HydrophobicContact CB-CG2 4.12Å; L357-T361 VanDerWaalsContact O-CB 3.23Å; L357-T361 WeakPolarHBondContact O-CB 3.4Å; L357-T361 PolarHBondContact O-N 2.92Å; L357-T361 PolarHBondContact O-OG1 3.37Å; Y358-T361 PolarHBondContact O-N 3.23Å; F359-T361 VanDerWaalsContact C-N 3.33Å; F359-T361 PolarHBondContact O-N 3.41Å; T361-L365 PolarHBondContact O-N 3.42Å; T361-M366 HydrophobicContact CG2-CE 4.21Å; T361-M366 HydrophobicContact CG2-CG 4.4Å; T361-M366 WeakPolarHBondContact O-CB 3.05Å; T361-M366 WeakPolarHBondContact O-CG 3.27Å; T361-M366 PolarHBondContact O-N 2.89Å
362I98.6Very high98.6Very high6 Ų645.6 Ų45.63%0.03125%0.247CC..Iπ-helixtrans-73.7-48.5-177.4-61.9167.4000111.7I300 I304 L307 L328 Y358 F359 P367I300-I362 HydrophobicContact CD1-CB 3.83Å; I300-I362 HydrophobicContact CD1-CD1 4Å; I300-I362 HydrophobicContact CD1-CG2 3.62Å; I300-I362 HydrophobicContact CG1-CG2 3.8Å; I300-I362 HydrophobicContact CG2-CD1 4.28Å; I304-I362 HydrophobicContact CD1-CG2 4.33Å; I304-I362 HydrophobicContact CG1-CG2 4.21Å; L307-I362 HydrophobicContact CD1-CG2 4.23Å; L328-I362 HydrophobicContact CD1-CD1 4.08Å; L328-I362 HydrophobicContact CD1-CG1 4.08Å; L328-I362 HydrophobicContact CD2-CD1 4.24Å; L328-I362 HydrophobicContact CD2-CG1 3.94Å; Y358-I362 HydrophobicContact CD1-CD1 4.48Å; Y358-I362 HydrophobicContact CD2-CD1 4.24Å; Y358-I362 HydrophobicContact CE1-CD1 3.95Å; Y358-I362 HydrophobicContact CE2-CD1 3.68Å; Y358-I362 PolarHBondContact O-N 3.36Å; F359-I362 PolarHBondContact O-N 2.95Å; I362-P367 WeakPolarHBondContact O-CD 3.31Å
363L98.6Very high98.6Very high76 Ų7642.8 Ų42.840%0.39823%0.234SC..Iπ-helixtrans-80.8-29.4-171-61.8178.3000113.5I300 L307 F359I300-L363 HydrophobicContact CD1-CD1 4.4Å; I300-L363 HydrophobicContact CD1-CD2 3.72Å; I300-L363 HydrophobicContact CD1-CG 3.85Å; I300-L363 HydrophobicContact CG1-CD2 4.1Å; L307-L363 HydrophobicContact CD1-CD2 3.83Å; F359-L363 HydrophobicContact CB-CD1 4.44Å; F359-L363 HydrophobicContact CD1-CD1 4.42Å; F359-L363 VanDerWaalsContact O-CB 3.27Å; F359-L363 WeakPolarHBondContact O-CB 3.29Å; F359-L363 WeakPolarHBondContact O-CG 3.4Å; F359-L363 PolarHBondContact O-N 3.36Å
364I98.6Very high98.5Very high95 Ų9538.9 Ų38.949%0.48721%0.21SC..Iπ-helixtrans-121.3-57.6-169.6-56176.6000111.2T360 P367 T368T360-I364 HydrophobicContact CG2-CB 4.42Å; T360-I364 HydrophobicContact CG2-CD1 4.42Å; T360-I364 WeakPolarHBondContact O-CA 3.27Å; T360-I364 WeakPolarHBondContact O-CB 3.38Å; T360-I364 PolarHBondContact O-N 2.8Å; I364-P367 WeakPolarHBondContact O-CD 3.49Å; I364-T368 HydrophobicContact CG2-CG2 4.43Å; I364-T368 WeakPolarHBondContact O-CB 3.27Å; I364-T368 WeakPolarHBondContact O-CG2 3.28Å; I364-T368 PolarHBondContact O-N 3.4Å; I364-T368 VanDerWaalsContact O-N 3.13Å; I364-T368 PolarHBondContact O-OG1 3.17Å
365L98.6Very high98.5Very high55 Ų5546.5 Ų46.529%0.28824%0.242SC..Iπ-helixtrans-68.4-45.3-170.7-57.5179.1000112.5L324 T360 T361 T368 I369L324-L365 HydrophobicContact CD1-CB 3.75Å; L324-L365 HydrophobicContact CD2-CB 4.21Å; L324-L365 HydrophobicContact CD2-CD1 4.24Å; T360-L365 HydrophobicContact CG2-CD1 4.4Å; T360-L365 HydrophobicContact CG2-CG 4.15Å; T360-L365 PolarHBondContact O-N 3.04Å; T361-L365 PolarHBondContact O-N 3.42Å; L365-T368 WeakPolarHBondContact CA-OG1 3.32Å; L365-T368 PolarHBondContact O-N 3.47Å; L365-T368 PolarHBondContact O-OG1 3.28Å; L365-I369 VanDerWaalsContact O-CB 3.32Å; L365-I369 WeakPolarHBondContact O-CB 3.37Å; L365-I369 WeakPolarHBondContact O-CG1 3.5Å; L365-I369 PolarHBondContact O-N 3.01Å
366M98.3Very high98.4Very high29 Ų2952.2 Ų52.214%0.14327%0.27CS..Hα-helixtrans-62.2-48.2-179.8-78.5-175175.300113.1L324 L328 T361 S370L324-M366 HydrophobicContact CB-CE 4.45Å; L324-M366 HydrophobicContact CB-CG 4.32Å; L324-M366 HydrophobicContact CD1-CG 4.16Å; L328-M366 HydrophobicContact CB-CE 4.28Å; L328-M366 HydrophobicContact CD2-CE 3.81Å; T361-M366 HydrophobicContact CG2-CE 4.21Å; T361-M366 HydrophobicContact CG2-CG 4.4Å; T361-M366 WeakPolarHBondContact O-CB 3.05Å; T361-M366 WeakPolarHBondContact O-CG 3.27Å; T361-M366 PolarHBondContact O-N 2.89Å; M366-S370 WeakPolarHBondContact O-CB 3.46Å; M366-S370 PolarHBondContact O-N 3.03Å; M366-S370 PolarHBondContact O-OG 2.8Å
367P98.3Very high98.4Very high13 Ų1351.8 Ų51.88%0.08426%0.264CS..Hα-helixtrans-62.7-42.6175.5-25.334.9000113.1L307 M309 I362 I364 S370 L371L307-P367 HydrophobicContact CB-CG 4.05Å; L307-P367 HydrophobicContact CD2-CG 4.13Å; M309-P367 HydrophobicContact CG-CB 4.07Å; I362-P367 WeakPolarHBondContact O-CD 3.31Å; I364-P367 WeakPolarHBondContact O-CD 3.49Å; P367-S370 WeakPolarHBondContact O-CB 3.08Å; P367-S370 PolarHBondContact O-N 3.12Å; P367-L371 WeakPolarHBondContact O-CG 3.36Å; P367-L371 PolarHBondContact O-N 3.49Å; P367-L371 VanDerWaalsContact O-N 3.11Å
368T98.5Very high98.3Very high60 Ų6058.5 Ų58.537%0.36829%0.291SS..Hα-helixtrans-66-44.9-179.352.20000112.1I364 L365 S370 L371 I372I364-T368 HydrophobicContact CG2-CG2 4.43Å; I364-T368 WeakPolarHBondContact O-CB 3.27Å; I364-T368 WeakPolarHBondContact O-CG2 3.28Å; I364-T368 PolarHBondContact O-N 3.4Å; I364-T368 VanDerWaalsContact O-N 3.13Å; I364-T368 PolarHBondContact O-OG1 3.17Å; L365-T368 WeakPolarHBondContact CA-OG1 3.32Å; L365-T368 PolarHBondContact O-N 3.47Å; L365-T368 PolarHBondContact O-OG1 3.28Å; T368-S370 VanDerWaalsContact C-N 3.31Å; T368-S370 PolarHBondContact O-N 2.74Å; T368-L371 PolarHBondContact O-N 3.34Å; T368-I372 WeakPolarHBondContact O-CG1 3.46Å; T368-I372 PolarHBondContact O-N 2.92Å
369I98.3Very high98Very high33 Ų3362.8 Ų62.817%0.16931%0.307CS..Hα-helixtrans-63-38.3174.5-72.9-62.6000111.4L320 L324 L365 L371 I372 E373L320-I369 HydrophobicContact CB-CD1 4.45Å; L320-I369 HydrophobicContact CB-CG2 3.41Å; L320-I369 VanDerWaalsContact CB-CG2 3.41Å; L320-I369 HydrophobicContact CD1-CD1 4.35Å; L320-I369 HydrophobicContact CD1-CG2 4.45Å; L324-I369 HydrophobicContact CD1-CB 3.87Å; L324-I369 HydrophobicContact CD1-CG1 3.55Å; L324-I369 HydrophobicContact CD1-CG2 4.32Å; L324-I369 HydrophobicContact CG-CG1 4.44Å; L365-I369 VanDerWaalsContact O-CB 3.32Å; L365-I369 WeakPolarHBondContact O-CB 3.37Å; L365-I369 WeakPolarHBondContact O-CG1 3.5Å; L365-I369 PolarHBondContact O-N 3.01Å; I369-L371 VanDerWaalsContact C-N 3.29Å; I369-L371 PolarHBondContact O-N 2.54Å; I369-I372 HydrophobicContact CD1-CD1 4.06Å; I369-I372 PolarHBondContact O-N 3.12Å; I369-I372 VanDerWaalsContact O-N 3.14Å; I369-E373 HydrophobicContact CG2-CG 4.24Å; I369-E373 WeakPolarHBondContact O-CG 3.38Å; I369-E373 PolarHBondContact O-N 2.77Å
370S97.8Very high96.7Very high5 Ų567.5 Ų67.54%0.03535%0.354CS..Hα-helixtrans-57.1-43.5174.4-57.90000111.9R318 M366 P367 T368 E373 N374R318-S370 PolarHBondContact NH2-OG 3.21Å; M366-S370 WeakPolarHBondContact O-CB 3.46Å; M366-S370 PolarHBondContact O-N 3.03Å; M366-S370 PolarHBondContact O-OG 2.8Å; P367-S370 WeakPolarHBondContact O-CB 3.08Å; P367-S370 PolarHBondContact O-N 3.12Å; T368-S370 VanDerWaalsContact C-N 3.31Å; T368-S370 PolarHBondContact O-N 2.74Å; S370-E373 PolarHBondContact O-N 3.21Å; S370-N374 PolarHBondContact O-N 3.35Å; S370-N374 PolarHBondContact O-ND2 3.38Å; S370-N374 PolarHBondContact O-OD1 3.27Å
371L98.3Very high96.6Very high83 Ų8368.7 Ų68.744%0.43536%0.358SS..Hα-helixtrans-67.7-36.9176.6-68.2172.8000112.5M309 P367 T368 I369 K375M309-L371 HydrophobicContact CB-CD2 3.84Å; M309-L371 HydrophobicContact CB-CG 3.9Å; M309-L371 HydrophobicContact CG-CD2 4.49Å; M309-L371 HydrophobicContact CG-CG 4.42Å; P367-L371 WeakPolarHBondContact O-CG 3.36Å; P367-L371 PolarHBondContact O-N 3.49Å; P367-L371 VanDerWaalsContact O-N 3.11Å; T368-L371 PolarHBondContact O-N 3.34Å; I369-L371 VanDerWaalsContact C-N 3.29Å; I369-L371 PolarHBondContact O-N 2.54Å; L371-K375 WeakPolarHBondContact O-CG 3.2Å; L371-K375 PolarHBondContact O-N 3.28Å; L371-K375 VanDerWaalsContact O-N 3.12Å
372I98.3Very high96.4Very high81 Ų8172.3 Ų72.342%0.41538%0.377SS..Hα-helixtrans-64.3-47.7175.5-69.7163.5000110.3L320 T368 I369 N374 K375 M376L320-I372 HydrophobicContact CD1-CG2 4.35Å; T368-I372 WeakPolarHBondContact O-CG1 3.46Å; T368-I372 PolarHBondContact O-N 2.92Å; I369-I372 HydrophobicContact CD1-CD1 4.06Å; I369-I372 PolarHBondContact O-N 3.12Å; I369-I372 VanDerWaalsContact O-N 3.14Å; I372-N374 VanDerWaalsContact C-N 3.34Å; I372-N374 PolarHBondContact O-N 2.83Å; I372-K375 PolarHBondContact O-N 3.15Å; I372-K375 VanDerWaalsContact O-N 3.11Å; I372-M376 HydrophobicContact CG2-CG 4.36Å; I372-M376 HydrophobicContact CG2-SD 3.97Å; I372-M376 WeakPolarHBondContact O-CG 3.07Å; I372-M376 PolarHBondContact O-N 3.39Å
373E98.4Very high96.3Very high9 Ų975.9 Ų75.94%0.04240%0.396CS..Hα-helixtrans-60.1-42.1177.7-72.7176.8146.800111.7R318 L320 S321 I369 S370 K375 M376 L377R318-E373 VanDerWaalsContact CA-OE1 3.31Å; R318-E373 WeakPolarHBondContact CA-OE1 3.49Å; R318-E373 WeakPolarHBondContact CB-OE1 3.41Å; R318-E373 WeakPolarHBondContact CB-OE2 3.47Å; R318-E373 IonicContact CZ-OE2 3.59Å; R318-E373 IonicContact NE-OE2 2.85Å; R318-E373 PolarHBondContact NE-OE2 3.32Å; R318-E373 IonicContact NH2-OE2 3.41Å; R318-E373 PolarHBondContact NH2-OE2 3.46Å; L320-E373 HydrophobicContact CB-CG 4.24Å; L320-E373 WeakPolarHBondContact CB-OE1 3.38Å; L320-E373 HydrophobicContact CD1-CG 4.19Å; L320-E373 HydrophobicContact CG-CG 4.49Å; L320-E373 PolarHBondContact N-OE1 3.24Å; S321-E373 PolarHBondContact N-OE1 3.23Å; S321-E373 PolarHBondContact OG-OE1 3.44Å; S321-E373 PolarHBondContact OG-OE2 3.11Å; I369-E373 HydrophobicContact CG2-CG 4.24Å; I369-E373 WeakPolarHBondContact O-CG 3.38Å; I369-E373 PolarHBondContact O-N 2.77Å; S370-E373 PolarHBondContact O-N 3.21Å; E373-K375 VanDerWaalsContact C-N 3.33Å; E373-K375 PolarHBondContact O-N 2.9Å; E373-M376 PolarHBondContact O-N 3.36Å; E373-L377 WeakPolarHBondContact O-CG 3.36Å; E373-L377 PolarHBondContact O-N 3.03Å; E373-L377 VanDerWaalsContact O-N 3.1Å
374N98.4Very high96.2Very high8 Ų875.9 Ų75.94%0.04340%0.396CS..Hα-helixtrans-56.8-46.9173.1-69.3-20.3000111.6M309 K311 S370 I372 L377 K378 W379M309-N374 PolarHBondContact O-ND2 3.28Å; K311-N374 PolarHBondContact N-OD1 2.93Å; S370-N374 PolarHBondContact O-N 3.35Å; S370-N374 PolarHBondContact O-ND2 3.38Å; S370-N374 PolarHBondContact O-OD1 3.27Å; I372-N374 VanDerWaalsContact C-N 3.34Å; I372-N374 PolarHBondContact O-N 2.83Å; N374-L377 CarbonylContact O-C 3.26Å; N374-L377 PolarHBondContact O-N 2.83Å; N374-K378 PolarHBondContact O-N 2.86Å; N374-W379 HydrophobicContact CB-CB 4.33Å; N374-W379 PolarHBondContact O-N 3.15Å
375K97.8Very high96Very high164 Ų16474.8 Ų74.871%0.71339%0.391SS*.Hα-helixtrans-65-39.1178.7-73.7-179.6179.6-177.50112.4L371 I372 E373 L377 K378L371-K375 WeakPolarHBondContact O-CG 3.2Å; L371-K375 PolarHBondContact O-N 3.28Å; L371-K375 VanDerWaalsContact O-N 3.12Å; I372-K375 PolarHBondContact O-N 3.15Å; I372-K375 VanDerWaalsContact O-N 3.11Å; E373-K375 VanDerWaalsContact C-N 3.33Å; E373-K375 PolarHBondContact O-N 2.9Å; K375-L377 PolarHBondContact O-N 3.28Å; K375-K378 PolarHBondContact O-N 3.1Å
376M97.8Very high95.9Very high131 Ų13176.1 Ų76.165%0.64540%0.398SS*.Hα-helixtrans-59.8-34.1175.1-70.4172.665.600111.8L320 I372 E373 K378L320-M376 HydrophobicContact CD1-SD 4.05Å; I372-M376 HydrophobicContact CG2-CG 4.36Å; I372-M376 HydrophobicContact CG2-SD 3.97Å; I372-M376 WeakPolarHBondContact O-CG 3.07Å; I372-M376 PolarHBondContact O-N 3.39Å; E373-M376 PolarHBondContact O-N 3.36Å; M376-K378 VanDerWaalsContact C-N 3.29Å
377L97.8Very high95.7Very high85 Ų8579.4 Ų79.445%0.44542%0.416SS..THydrogen-bonded Turntrans-85.64.9175.2-64.1176.6000113.8E373 N374 K375 W379E373-L377 WeakPolarHBondContact O-CG 3.36Å; E373-L377 PolarHBondContact O-N 3.03Å; E373-L377 VanDerWaalsContact O-N 3.1Å; N374-L377 CarbonylContact O-C 3.26Å; N374-L377 PolarHBondContact O-N 2.83Å; K375-L377 PolarHBondContact O-N 3.28Å; L377-W379 HydrophobicContact CB-CD2 4.15Å; L377-W379 HydrophobicContact CB-CE3 4.22Å; L377-W379 HydrophobicContact CB-CG 4.46Å; L377-W379 HydrophobicContact CD1-CD2 4.48Å; L377-W379 HydrophobicContact CD1-CE3 3.91Å; L377-W379 HydrophobicContact CD1-CH2 3.88Å; L377-W379 HydrophobicContact CD1-CZ2 4.45Å; L377-W379 HydrophobicContact CD1-CZ3 3.59Å; L377-W379 PolarHBondContact O-N 3.36Å
378K96.5Very high95.5Very high195 Ų19584.5 Ų84.585%0.84844%0.441SS*.THydrogen-bonded Turntrans56.432.3-176.1-53177.3-178.1176.90113N374 K375 M376N374-K378 PolarHBondContact O-N 2.86Å; K375-K378 PolarHBondContact O-N 3.1Å; M376-K378 VanDerWaalsContact C-N 3.29Å
379W93.4Very high95.3Very high100 Ų10086.6 Ų86.638%0.37945%0.447SS..  trans-81.8134.7170.1-74.6-22.9000111.1K311 Q312 N374 L377K311-W379 HydrophobicContact CB-CD2 4.03Å; K311-W379 HydrophobicContact CB-CE3 3.47Å; K311-W379 VanDerWaalsContact CB-CE3 3.47Å; K311-W379 HydrophobicContact CB-CH2 4.49Å; K311-W379 HydrophobicContact CB-CZ3 3.73Å; K311-W379 HydrophobicContact CG-CB 4.19Å; K311-W379 HydrophobicContact CG-CD2 4.22Å; K311-W379 HydrophobicContact CG-CE3 3.86Å; K311-W379 HydrophobicContact CG-CG 4.42Å; Q312-W379 HydrophobicContact CB-CZ3 4.36Å; Q312-W379 VanDerWaalsContact CD-CH2 3.49Å; Q312-W379 HydrophobicContact CG-CH2 3.41Å; Q312-W379 VanDerWaalsContact CG-CH2 3.41Å; Q312-W379 HydrophobicContact CG-CZ3 3.58Å; N374-W379 HydrophobicContact CB-CB 4.33Å; N374-W379 PolarHBondContact O-N 3.15Å; L377-W379 HydrophobicContact CB-CD2 4.15Å; L377-W379 HydrophobicContact CB-CE3 4.22Å; L377-W379 HydrophobicContact CB-CG 4.46Å; L377-W379 HydrophobicContact CD1-CD2 4.48Å; L377-W379 HydrophobicContact CD1-CE3 3.91Å; L377-W379 HydrophobicContact CD1-CH2 3.88Å; L377-W379 HydrophobicContact CD1-CZ2 4.45Å; L377-W379 HydrophobicContact CD1-CZ3 3.59Å; L377-W379 PolarHBondContact O-N 3.36Å
380A70.3Confident95Very high145 Ų14591.5 Ų91.5100%1.19847%0.473SS*.  trans-73.90-179.100000113.1K311K311-A380 WeakPolarHBondContact CE-O 3.4Å; K311-A380 PolarHBondContact NZ-O 3.33Å

Retrieved 380 of 380 residues in 699.8 ms (Link to these results)

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