A0A5K4F8X3_SCHMA Loading...

Putative cell division cycle

AlphaFold DB , UniProt , Accession A0A5K4F8X3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 643 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
1M58.1Low86Confident183 Ų18372.4 Ų72.490%0.90138%0.375SS*.  0125.20-70-172.7-168.600106.9V6M1-V6 HydrophobicContact CB-CG2 4.07Å
2C81.3Confident86.5Confident80 Ų8073.3 Ų73.354%0.54138%0.381SS..  trans-62.4146.1173.8-77.90000109.1S4 D5 V6C2-S4 PolarHBondContact O-N 2.81Å; C2-S4 VanDerWaalsContact O-N 3.12Å; C2-D5 PolarHBondContact O-N 3.11Å; C2-V6 PolarHBondContact O-N 2.9Å
3L87.2Confident87Confident120 Ų12071.5 Ų71.563%0.62838%0.378SS*.Hα-helixtrans-52-35.8176.817764.2000111.2V6 L7L3-V6 PolarHBondContact O-N 2.87Å; L3-L7 HydrophobicContact CG-CD1 4.24Å; L3-L7 WeakPolarHBondContact O-CG 3.44Å; L3-L7 PolarHBondContact O-N 2.99Å
4S86Confident87.3Confident20 Ų2067.1 Ų67.114%0.1436%0.355CS..Hα-helixtrans-66-37.3177.255.70000114C2 V6 L7 R8 E34C2-S4 PolarHBondContact O-N 2.81Å; C2-S4 VanDerWaalsContact O-N 3.12Å; S4-V6 VanDerWaalsContact C-N 3.31Å; S4-V6 PolarHBondContact O-N 3.06Å; S4-L7 PolarHBondContact O-N 3.28Å; S4-R8 WeakPolarHBondContact O-CG 3.4Å; S4-R8 PolarHBondContact O-N 3.16Å; S4-E34 WeakPolarHBondContact CB-OE1 3.46Å; S4-E34 PolarHBondContact OG-OE1 2.63Å
5D86.8Confident87.5Confident61 Ų6164.4 Ų64.433%0.32634%0.34SS..Hα-helixtrans-66.3-36.2174.4-60.6-32.9000111.7C2 R8 K9C2-D5 PolarHBondContact O-N 3.11Å; D5-R8 IonicContact OD1-NH1 2.91Å; D5-R8 PolarHBondContact OD1-NH1 3.25Å; D5-K9 WeakPolarHBondContact O-CG 3.29Å; D5-K9 PolarHBondContact O-N 3.09Å
6V89.9Confident87.7Confident72 Ų7270.3 Ų70.344%0.43637%0.365SS..Hα-helixtrans-65.2-44.2174.3-179.30000110M1 C2 L3 S4 K9 H10M1-V6 HydrophobicContact CB-CG2 4.07Å; C2-V6 PolarHBondContact O-N 2.9Å; L3-V6 PolarHBondContact O-N 2.87Å; S4-V6 VanDerWaalsContact C-N 3.31Å; S4-V6 PolarHBondContact O-N 3.06Å; V6-K9 PolarHBondContact O-N 3.47Å; V6-H10 WeakPolarHBondContact O-CB 3.21Å; V6-H10 PolarHBondContact O-N 3.38Å
7L90.3Very high88.1Confident22 Ų2272.6 Ų72.612%0.11538%0.377CS..Hα-helixtrans-65-42176.3-74.6173.4000112.4L3 S4 K9 H10 V11 W26 L30 L33L3-L7 HydrophobicContact CG-CD1 4.24Å; L3-L7 WeakPolarHBondContact O-CG 3.44Å; L3-L7 PolarHBondContact O-N 2.99Å; S4-L7 PolarHBondContact O-N 3.28Å; L7-K9 PolarHBondContact O-N 3.3Å; L7-H10 CarbonylContact O-C 3.6Å; L7-H10 WeakPolarHBondContact O-CB 3.3Å; L7-H10 PolarHBondContact O-N 3.31Å; L7-H10 VanDerWaalsContact O-N 3.15Å; L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 3.13Å; L7-W26 HydrophobicContact CD2-CE3 3.9Å; L7-W26 HydrophobicContact CD2-CZ3 4.35Å; L7-L30 HydrophobicContact CB-CD1 3.91Å; L7-L30 HydrophobicContact CD1-CD1 4.49Å; L7-L33 HydrophobicContact CD1-CD1 3.51Å
8R91.2Very high88.2Confident32 Ų3276.3 Ų76.312%0.12139%0.393CS..Hα-helixtrans-56.4-50.7173.9-78.4174.5-177.8125.75.8111.6S4 D5 H10 V11 L12 L30 E34 D40S4-R8 WeakPolarHBondContact O-CG 3.4Å; S4-R8 PolarHBondContact O-N 3.16Å; D5-R8 IonicContact OD1-NH1 2.91Å; D5-R8 PolarHBondContact OD1-NH1 3.25Å; R8-H10 VanDerWaalsContact C-N 3.27Å; R8-H10 PolarHBondContact O-N 3.33Å; R8-V11 PolarHBondContact O-N 2.95Å; R8-L12 WeakPolarHBondContact O-CG 3.5Å; R8-L12 PolarHBondContact O-N 3.29Å; R8-L30 HydrophobicContact CB-CD2 4.46Å; R8-L30 HydrophobicContact CG-CD1 4.15Å; R8-L30 HydrophobicContact CG-CD2 3.62Å; R8-E34 IonicContact CZ-OE1 3.89Å; R8-E34 VanDerWaalsContact CZ-OE1 3.27Å; R8-E34 IonicContact CZ-OE2 2.82Å; R8-E34 IonicContact NH1-OE1 2.82Å; R8-E34 PolarHBondContact NH1-OE1 3.34Å; R8-E34 VanDerWaalsContact NH1-OE1 3.15Å; R8-E34 IonicContact NH2-OE1 3.37Å; R8-E34 PolarHBondContact NH2-OE1 2.87Å; R8-E34 IonicContact NH2-OE2 3.67Å; R8-E34 PolarHBondContact NH2-OE2 3.05Å; R8-D40 IonicContact CZ-OD1 3.97Å; R8-D40 IonicContact CZ-OD2 3.76Å; R8-D40 IonicContact NE-OD1 2.74Å; R8-D40 PolarHBondContact NE-OD1 3.29Å; R8-D40 IonicContact NE-OD2 3.8Å; R8-D40 VanDerWaalsContact NH2-CG 3.33Å; R8-D40 IonicContact NH2-OD1 3.17Å; R8-D40 PolarHBondContact NH2-OD1 2.96Å; R8-D40 VanDerWaalsContact NH2-OD1 3.12Å; R8-D40 IonicContact NH2-OD2 3.49Å; R8-D40 PolarHBondContact NH2-OD2 3Å
9K91.5Very high88.5Confident127 Ų12777.4 Ų77.455%0.55240%0.396SS*.Hα-helixtrans-60.4-39.2176.1-73.1-179.2-179.7-175.20111.6D5 V6 L7 S13D5-K9 WeakPolarHBondContact O-CG 3.29Å; D5-K9 PolarHBondContact O-N 3.09Å; V6-K9 PolarHBondContact O-N 3.47Å; L7-K9 PolarHBondContact O-N 3.3Å; K9-S13 VanDerWaalsContact O-CB 3.25Å; K9-S13 WeakPolarHBondContact O-CB 3.38Å; K9-S13 PolarHBondContact O-N 3.13Å
10H92.1Very high88.7Confident79 Ų7977.2 Ų77.237%0.36639%0.39SS..Hα-helixtrans-65.5-42.6177-167.858.7000112.1V6 L7 R8 S13 N14 W26V6-H10 WeakPolarHBondContact O-CB 3.21Å; V6-H10 PolarHBondContact O-N 3.38Å; L7-H10 CarbonylContact O-C 3.6Å; L7-H10 WeakPolarHBondContact O-CB 3.3Å; L7-H10 PolarHBondContact O-N 3.31Å; L7-H10 VanDerWaalsContact O-N 3.15Å; R8-H10 VanDerWaalsContact C-N 3.27Å; R8-H10 PolarHBondContact O-N 3.33Å; H10-S13 PolarHBondContact O-N 3.16Å; H10-N14 PolarHBondContact CD2-ND2 2.97Å; H10-N14 VanDerWaalsContact CD2-ND2 3.26Å; H10-N14 PolarHBondContact CE1-ND2 3.17Å; H10-N14 PolarHBondContact NE2-ND2 3.13Å; H10-N14 WeakPolarHBondContact O-CB 3.49Å; H10-N14 VanDerWaalsContact O-CG 3.32Å; H10-N14 PolarHBondContact O-N 2.87Å; H10-N14 PolarHBondContact O-ND2 3.45Å; H10-W26 AromaticContact CD2-CD1 3.59Å; H10-W26 AromaticContact CD2-CG 3.89Å; H10-W26 AromaticContact CD2-NE1 3.77Å; H10-W26 AromaticContact NE2-CD1 3.66Å; H10-W26 AromaticContact NE2-NE1 3.48Å; H10-W26 PolarHBondContact NE2-NE1 3.11Å
11V91.6Very high88.9Confident0 Ų079.8 Ų79.80%040%0.404CS..Hα-helixtrans-63.2-48.2175.8172.70000110.6L7 R8 S13 N14 M15 A23 W26 A27 L43L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 3.13Å; R8-V11 PolarHBondContact O-N 2.95Å; V11-S13 PolarHBondContact O-N 3.46Å; V11-N14 PolarHBondContact O-N 2.98Å; V11-M15 HydrophobicContact CG1-SD 4.12Å; V11-M15 WeakPolarHBondContact O-CG 3.3Å; V11-M15 PolarHBondContact O-N 3.18Å; V11-A23 HydrophobicContact CG1-CB 4.5Å; V11-W26 HydrophobicContact CG2-CB 3.77Å; V11-A27 HydrophobicContact CG1-CB 4.01Å; V11-A27 HydrophobicContact CG2-CB 4.14Å; V11-L43 HydrophobicContact CB-CD2 4.07Å; V11-L43 HydrophobicContact CG1-CD1 4.15Å; V11-L43 HydrophobicContact CG1-CD2 3.8Å; V11-L43 HydrophobicContact CG1-CG 3.81Å
12L91.8Very high90.6Very high84 Ų8473.4 Ų73.444%0.4438%0.376SS..Hα-helixtrans-59.5-45.9177.5-71.8170.3000111.9R8 N14 M15 E16 L43R8-L12 WeakPolarHBondContact O-CG 3.5Å; R8-L12 PolarHBondContact O-N 3.29Å; L12-N14 PolarHBondContact O-N 2.99Å; L12-M15 WeakPolarHBondContact O-CB 3.4Å; L12-M15 PolarHBondContact O-N 3.09Å; L12-M15 VanDerWaalsContact O-N 3.13Å; L12-E16 WeakPolarHBondContact O-CG 3.33Å; L12-E16 PolarHBondContact O-N 3.49Å; L12-L43 HydrophobicContact CD2-CD1 3.58Å; L12-L43 HydrophobicContact CG-CD1 4.2Å
13S92.9Very high91.2Very high50 Ų5069.6 Ų69.635%0.3535%0.35SS..Hα-helixtrans-62-40.6176.8178.60000112.3K9 H10 V11 M15 E16 L17K9-S13 VanDerWaalsContact O-CB 3.25Å; K9-S13 WeakPolarHBondContact O-CB 3.38Å; K9-S13 PolarHBondContact O-N 3.13Å; H10-S13 PolarHBondContact O-N 3.16Å; V11-S13 PolarHBondContact O-N 3.46Å; S13-M15 VanDerWaalsContact C-N 3.32Å; S13-M15 PolarHBondContact O-N 3.47Å; S13-E16 PolarHBondContact O-N 2.86Å; S13-L17 WeakPolarHBondContact O-CB 3.31Å; S13-L17 VanDerWaalsContact O-CG 3.24Å; S13-L17 WeakPolarHBondContact O-CG 3.41Å; S13-L17 PolarHBondContact O-N 3.27Å
14N92.2Very high91.4Very high9 Ų964.7 Ų64.75%0.04833%0.326CS..Hα-helixtrans-67.5-32.8175.4-74.6-54.2000112.4H10 V11 L12 L17 Q18 Q19 A23H10-N14 PolarHBondContact CD2-ND2 2.97Å; H10-N14 VanDerWaalsContact CD2-ND2 3.26Å; H10-N14 PolarHBondContact CE1-ND2 3.17Å; H10-N14 PolarHBondContact NE2-ND2 3.13Å; H10-N14 WeakPolarHBondContact O-CB 3.49Å; H10-N14 VanDerWaalsContact O-CG 3.32Å; H10-N14 PolarHBondContact O-N 2.87Å; H10-N14 PolarHBondContact O-ND2 3.45Å; V11-N14 PolarHBondContact O-N 2.98Å; L12-N14 PolarHBondContact O-N 2.99Å; N14-L17 CarbonylContact O-C 3.56Å; N14-L17 PolarHBondContact O-N 3.34Å; N14-Q18 PolarHBondContact O-N 3Å; N14-Q19 PolarHBondContact O-N 3.35Å; N14-Q19 PolarHBondContact OD1-OE1 3.27Å; N14-A23 HydrophobicContact CB-CB 3.99Å
15M89.5Confident91.8Very high27 Ų2770.1 Ų70.113%0.13334%0.344CS..Hα-helixtrans-67.5-42.6173.1-71178.365.100111.4V11 L12 S13 L17 Q18 A23 L43 K46 A47 Y50V11-M15 HydrophobicContact CG1-SD 4.12Å; V11-M15 WeakPolarHBondContact O-CG 3.3Å; V11-M15 PolarHBondContact O-N 3.18Å; L12-M15 WeakPolarHBondContact O-CB 3.4Å; L12-M15 PolarHBondContact O-N 3.09Å; L12-M15 VanDerWaalsContact O-N 3.13Å; S13-M15 VanDerWaalsContact C-N 3.32Å; S13-M15 PolarHBondContact O-N 3.47Å; M15-L17 VanDerWaalsContact C-N 3.31Å; M15-L17 PolarHBondContact O-N 3.09Å; M15-Q18 PolarHBondContact O-N 3.48Å; M15-A23 HydrophobicContact CG-CB 3.71Å; M15-L43 HydrophobicContact SD-CD1 3.86Å; M15-K46 HydrophobicContact CE-CB 3.91Å; M15-A47 HydrophobicContact SD-CB 4.19Å; M15-Y50 HydrophobicContact CE-CD2 3.45Å; M15-Y50 VanDerWaalsContact CE-CD2 3.45Å; M15-Y50 HydrophobicContact CE-CE2 3.44Å; M15-Y50 VanDerWaalsContact CE-CE2 3.44Å
16E91.5Very high92.1Very high159 Ų15971.7 Ų71.774%0.74335%0.345SS*.Hα-helixtrans-62.6-37.4173.6-71.1170.9-179.600111.9L12 S13 Q18L12-E16 WeakPolarHBondContact O-CG 3.33Å; L12-E16 PolarHBondContact O-N 3.49Å; S13-E16 PolarHBondContact O-N 2.86Å; E16-Q18 PolarHBondContact O-N 3.44Å
17L93.5Very high92.2Very high109 Ų10968.3 Ų68.357%0.57133%0.325SS*.THydrogen-bonded Turntrans-76.92.7173.4-67.9171.5000113.9S13 N14 M15 Q19S13-L17 WeakPolarHBondContact O-CB 3.31Å; S13-L17 VanDerWaalsContact O-CG 3.24Å; S13-L17 WeakPolarHBondContact O-CG 3.41Å; S13-L17 PolarHBondContact O-N 3.27Å; N14-L17 CarbonylContact O-C 3.56Å; N14-L17 PolarHBondContact O-N 3.34Å; M15-L17 VanDerWaalsContact C-N 3.31Å; M15-L17 PolarHBondContact O-N 3.09Å; L17-Q19 HydrophobicContact CB-CG 4.3Å; L17-Q19 PolarHBondContact O-N 3.22Å
18Q90.6Very high92.4Very high140 Ų14069.8 Ų69.865%0.65433%0.333SS*.THydrogen-bonded Turntrans60.621.2-179.3-52.6177.9-2.100114.8N14 M15 E16 Y20N14-Q18 PolarHBondContact O-N 3Å; M15-Q18 PolarHBondContact O-N 3.48Å; E16-Q18 PolarHBondContact O-N 3.44Å; Q18-Y20 HydrophobicContact CB-CE1 4.43Å; Q18-Y20 HydrophobicContact CB-CE2 4.29Å; Q18-Y20 PolarHBondContact O-N 2.81Å; Q18-Y20 VanDerWaalsContact O-N 3.15Å
19Q93.2Very high92.4Very high97 Ų9771.7 Ų71.745%0.45334%0.342SS..  trans-88.571.4175.8-60-173.5-2.400110.6N14 L17 L21 T22 A23N14-Q19 PolarHBondContact O-N 3.35Å; N14-Q19 PolarHBondContact OD1-OE1 3.27Å; L17-Q19 HydrophobicContact CB-CG 4.3Å; L17-Q19 PolarHBondContact O-N 3.22Å; Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 3.01Å; Q19-T22 WeakPolarHBondContact CB-OG1 3.48Å; Q19-T22 PolarHBondContact O-N 3.26Å; Q19-T22 PolarHBondContact O-OG1 3.46Å; Q19-T22 PolarHBondContact OE1-OG1 3.22Å; Q19-A23 WeakPolarHBondContact O-CB 3.22Å; Q19-A23 PolarHBondContact O-N 2.86Å
20Y92.5Very high92.4Very high72 Ų7265.7 Ų65.728%0.28232%0.316SS..Hα-helixtrans-65.4-30.2-170.5-51.9-54.8000114.3Q18 C24 Y50Q18-Y20 HydrophobicContact CB-CE1 4.43Å; Q18-Y20 HydrophobicContact CB-CE2 4.29Å; Q18-Y20 PolarHBondContact O-N 2.81Å; Q18-Y20 VanDerWaalsContact O-N 3.15Å; Y20-C24 WeakPolarHBondContact O-CB 3.38Å; Y20-C24 PolarHBondContact O-N 3.07Å; Y20-C24 PolarHBondContact O-SG 2.99Å; Y20-Y50 VanDerWaalsContact CD1-CB 3.43Å; Y20-Y50 HydrophobicContact CD1-CG 4.29Å; Y20-Y50 VanDerWaalsContact CE1-CB 3.47Å; Y20-Y50 HydrophobicContact CE1-CD1 4.35Å; Y20-Y50 AromaticContact CE1-CG 3.95Å; Y20-Y50 HydrophobicContact CE1-CG 3.95Å
21L92.7Very high92.2Very high132 Ų13262 Ų6269%0.69130%0.3SS*.Hα-helixtrans-69-42.7177.2-67.9176.6000112Q19 C24 Y25Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 3.01Å; L21-C24 PolarHBondContact O-N 3.29Å; L21-Y25 PolarHBondContact O-N 3.16Å
22T93.9Very high92.1Very high50 Ų5065.3 Ų65.331%0.30732%0.322SS..Hα-helixtrans-69.7-41.6177.458.80000110.3Q19 C24 Y25 W26Q19-T22 WeakPolarHBondContact CB-OG1 3.48Å; Q19-T22 PolarHBondContact O-N 3.26Å; Q19-T22 PolarHBondContact O-OG1 3.46Å; Q19-T22 PolarHBondContact OE1-OG1 3.22Å; T22-C24 PolarHBondContact O-N 3.38Å; T22-Y25 PolarHBondContact O-N 3.01Å; T22-W26 PolarHBondContact O-N 3.31Å
23A93.2Very high92Very high0 Ų066.4 Ų66.40%033%0.328CS..Hα-helixtrans-57.2-48.2173.400000111.7V11 N14 M15 Q19 Y25 W26 A27 A47V11-A23 HydrophobicContact CG1-CB 4.5Å; N14-A23 HydrophobicContact CB-CB 3.99Å; M15-A23 HydrophobicContact CG-CB 3.71Å; Q19-A23 WeakPolarHBondContact O-CB 3.22Å; Q19-A23 PolarHBondContact O-N 2.86Å; A23-Y25 PolarHBondContact O-N 3.22Å; A23-W26 PolarHBondContact O-N 3.02Å; A23-A27 WeakPolarHBondContact O-CB 3.39Å; A23-A27 PolarHBondContact O-N 3.27Å; A23-A47 HydrophobicContact CB-CB 4.35Å
24C92.9Very high91.5Very high17 Ų1766.2 Ų66.212%0.11532%0.321CS..Hα-helixtrans-59-43.7176.1-74.50000112.5Y20 L21 T22 D28 A47Y20-C24 WeakPolarHBondContact O-CB 3.38Å; Y20-C24 PolarHBondContact O-N 3.07Å; Y20-C24 PolarHBondContact O-SG 2.99Å; L21-C24 PolarHBondContact O-N 3.29Å; T22-C24 PolarHBondContact O-N 3.38Å; C24-D28 WeakPolarHBondContact O-CB 3.43Å; C24-D28 PolarHBondContact O-N 3.16Å; C24-A47 VanDerWaalsContact SG-C 3.59Å; C24-A47 PolarHBondContact SG-O 2.89Å
25Y93.6Very high90.9Very high133 Ų13374.7 Ų74.752%0.52236%0.358SS..Hα-helixtrans-62.2-48.2-179.3177.3-94000112.1L21 T22 A23 K29L21-Y25 PolarHBondContact O-N 3.16Å; T22-Y25 PolarHBondContact O-N 3.01Å; A23-Y25 PolarHBondContact O-N 3.22Å; Y25-K29 WeakPolarHBondContact O-CG 3.42Å; Y25-K29 PolarHBondContact O-N 2.98Å
26W93.8Very high90.4Very high94 Ų9480.4 Ų80.436%0.35638%0.379SS..Hα-helixtrans-73-34.3-179.7-69.6117.3000112.6L7 H10 V11 T22 A23 K29 L30L7-W26 HydrophobicContact CD2-CE3 3.9Å; L7-W26 HydrophobicContact CD2-CZ3 4.35Å; H10-W26 AromaticContact CD2-CD1 3.59Å; H10-W26 AromaticContact CD2-CG 3.89Å; H10-W26 AromaticContact CD2-NE1 3.77Å; H10-W26 AromaticContact NE2-CD1 3.66Å; H10-W26 AromaticContact NE2-NE1 3.48Å; H10-W26 PolarHBondContact NE2-NE1 3.11Å; V11-W26 HydrophobicContact CG2-CB 3.77Å; T22-W26 PolarHBondContact O-N 3.31Å; A23-W26 PolarHBondContact O-N 3.02Å; W26-K29 PolarHBondContact O-N 3.12Å; W26-L30 WeakPolarHBondContact O-CB 3.48Å; W26-L30 PolarHBondContact O-N 3.41Å
27A92.5Very high90Very high1 Ų177.7 Ų77.71%0.00836%0.361CS..Hα-helixtrans-64-40.6175.700000111.9V11 A23 K29 L30 V31 Y44V11-A27 HydrophobicContact CG1-CB 4.01Å; V11-A27 HydrophobicContact CG2-CB 4.14Å; A23-A27 WeakPolarHBondContact O-CB 3.39Å; A23-A27 PolarHBondContact O-N 3.27Å; A27-K29 VanDerWaalsContact C-N 3.3Å; A27-K29 PolarHBondContact O-N 3.45Å; A27-L30 WeakPolarHBondContact O-CB 3.28Å; A27-L30 PolarHBondContact O-N 3.42Å; A27-V31 VanDerWaalsContact O-CG2 3.32Å; A27-V31 WeakPolarHBondContact O-CG2 3.33Å; A27-V31 PolarHBondContact O-N 3.38Å; A27-Y44 HydrophobicContact CB-CD2 3.69Å; A27-Y44 HydrophobicContact CB-CG 3.97Å
28D92.8Very high89.4Confident53 Ų5373.4 Ų73.428%0.28334%0.341SS..Hα-helixtrans-58.3-42.9173.618056.8000111.7C24 C32 Y44C24-D28 WeakPolarHBondContact O-CB 3.43Å; C24-D28 PolarHBondContact O-N 3.16Å; D28-C32 PolarHBondContact O-N 2.93Å; D28-C32 PolarHBondContact O-SG 3.26Å; D28-Y44 HydrophobicContact CB-CE1 4.12Å; D28-Y44 HydrophobicContact CB-CE2 4.23Å
29K92.3Very high89.1Confident73 Ų7369.8 Ų69.832%0.31732%0.324SS..Hα-helixtrans-68.8-39.9177.1-60.6-65.8162.4-71.10112.4Y25 W26 A27 C32 L33Y25-K29 WeakPolarHBondContact O-CG 3.42Å; Y25-K29 PolarHBondContact O-N 2.98Å; W26-K29 PolarHBondContact O-N 3.12Å; A27-K29 VanDerWaalsContact C-N 3.3Å; A27-K29 PolarHBondContact O-N 3.45Å; K29-C32 PolarHBondContact O-N 3.32Å; K29-L33 VanDerWaalsContact O-CG 3.32Å; K29-L33 WeakPolarHBondContact O-CG 3.35Å; K29-L33 PolarHBondContact O-N 3.42Å
30L90.7Very high88.8Confident0 Ų065.2 Ų65.20%030%0.303CS..Hα-helixtrans-59.2-49.1175.9174.766.5000111.4L7 R8 W26 A27 C32 L33 E34 D40 L43L7-L30 HydrophobicContact CB-CD1 3.91Å; L7-L30 HydrophobicContact CD1-CD1 4.49Å; R8-L30 HydrophobicContact CB-CD2 4.46Å; R8-L30 HydrophobicContact CG-CD1 4.15Å; R8-L30 HydrophobicContact CG-CD2 3.62Å; W26-L30 WeakPolarHBondContact O-CB 3.48Å; W26-L30 PolarHBondContact O-N 3.41Å; A27-L30 WeakPolarHBondContact O-CB 3.28Å; A27-L30 PolarHBondContact O-N 3.42Å; L30-C32 VanDerWaalsContact C-N 3.27Å; L30-C32 PolarHBondContact O-N 3.49Å; L30-L33 PolarHBondContact O-N 2.89Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L30-E34 HydrophobicContact CD1-CG 4.48Å; L30-E34 PolarHBondContact O-N 3.06Å; L30-E34 VanDerWaalsContact O-N 3.11Å; L30-D40 HydrophobicContact CD2-CB 4.2Å; L30-D40 HydrophobicContact CG-CB 4.17Å; L30-L43 HydrophobicContact CD2-CD2 4.1Å
31V89.3Confident88.6Confident3 Ų361.9 Ų61.92%0.01829%0.289CS..Hα-helixtrans-59.9-38.4179171.30000111.6A27 K35 Y36 D40 V41 Y44A27-V31 VanDerWaalsContact O-CG2 3.32Å; A27-V31 WeakPolarHBondContact O-CG2 3.33Å; A27-V31 PolarHBondContact O-N 3.38Å; V31-K35 PolarHBondContact O-N 2.92Å; V31-Y36 HydrophobicContact CG1-CD1 3.35Å; V31-Y36 HydrophobicContact CG1-CE1 3.6Å; V31-Y36 HydrophobicContact CG1-CG 4.02Å; V31-Y36 PolarHBondContact O-N 3.45Å; V31-D40 HydrophobicContact CG2-CB 4.07Å; V31-D40 VanDerWaalsContact CG2-O 3.31Å; V31-D40 WeakPolarHBondContact CG2-O 3.39Å; V31-V41 HydrophobicContact CG1-CG2 3.89Å; V31-V41 HydrophobicContact CG2-CG2 4.38Å; V31-Y44 HydrophobicContact CG2-CD1 4.1Å; V31-Y44 HydrophobicContact CG2-CG 4.38Å
32C89.1Confident88.3Confident69 Ų6956.1 Ų56.147%0.46626%0.26SS..Hα-helixtrans-66.1-40.6175.6-66.70000112.8D28 K29 L30D28-C32 PolarHBondContact O-N 2.93Å; D28-C32 PolarHBondContact O-SG 3.26Å; K29-C32 PolarHBondContact O-N 3.32Å; L30-C32 VanDerWaalsContact C-N 3.27Å; L30-C32 PolarHBondContact O-N 3.49Å
33L88.4Confident88Confident107 Ų10754.7 Ų54.756%0.5625%0.25SC*.Hα-helixtrans-69.2-39.2-177.5-72.8170.7000112.6L7 K29 L30 K35L7-L33 HydrophobicContact CD1-CD1 3.51Å; K29-L33 VanDerWaalsContact O-CG 3.32Å; K29-L33 WeakPolarHBondContact O-CG 3.35Å; K29-L33 PolarHBondContact O-N 3.42Å; L30-L33 PolarHBondContact O-N 2.89Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 3.33Å
34E82.3Confident88Confident46 Ų4655.6 Ų55.622%0.21525%0.253CS..THydrogen-bonded Turntrans-89.912.3-177.8-72.7-133.5179.200114.2S4 R8 L30 Y36 R37 D40S4-E34 WeakPolarHBondContact CB-OE1 3.46Å; S4-E34 PolarHBondContact OG-OE1 2.63Å; R8-E34 IonicContact CZ-OE1 3.89Å; R8-E34 VanDerWaalsContact CZ-OE1 3.27Å; R8-E34 IonicContact CZ-OE2 2.82Å; R8-E34 IonicContact NH1-OE1 2.82Å; R8-E34 PolarHBondContact NH1-OE1 3.34Å; R8-E34 VanDerWaalsContact NH1-OE1 3.15Å; R8-E34 IonicContact NH2-OE1 3.37Å; R8-E34 PolarHBondContact NH2-OE1 2.87Å; R8-E34 IonicContact NH2-OE2 3.67Å; R8-E34 PolarHBondContact NH2-OE2 3.05Å; L30-E34 HydrophobicContact CD1-CG 4.48Å; L30-E34 PolarHBondContact O-N 3.06Å; L30-E34 VanDerWaalsContact O-N 3.11Å; E34-Y36 VanDerWaalsContact C-N 3.35Å; E34-Y36 PolarHBondContact O-N 3.16Å; E34-R37 HydrophobicContact CB-CB 4.2Å; E34-R37 WeakPolarHBondContact OE2-CD 3.3Å; E34-R37 IonicContact OE2-NH1 3.51Å; E34-D40 WeakPolarHBondContact CB-OD2 3.49Å; E34-D40 VanDerWaalsContact CD-OD2 3.27Å; E34-D40 WeakPolarHBondContact CG-OD2 3.45Å; E34-D40 VanDerWaalsContact OE2-OD2 3.12Å
35K80.2Confident87.9Confident187 Ų18754.8 Ų54.881%0.81325%0.248SC*.THydrogen-bonded Turntrans53.247.9-179.2-58.7-179.8179177.70112.7V31 L33V31-K35 PolarHBondContact O-N 2.92Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 3.33Å
36Y79.4Confident87.7Confident147 Ų14752.2 Ų52.258%0.57624%0.239SC*.SBendtrans61.942.4175.8-61.2-92.8000115V31 E34 S38 V41V31-Y36 HydrophobicContact CG1-CD1 3.35Å; V31-Y36 HydrophobicContact CG1-CE1 3.6Å; V31-Y36 HydrophobicContact CG1-CG 4.02Å; V31-Y36 PolarHBondContact O-N 3.45Å; E34-Y36 VanDerWaalsContact C-N 3.35Å; E34-Y36 PolarHBondContact O-N 3.16Å; Y36-S38 PolarHBondContact O-N 3.17Å; Y36-V41 HydrophobicContact CD1-CG2 4.18Å
37R82.7Confident87.6Confident101 Ų10147.7 Ų47.738%0.38122%0.222SC..  trans-55.1135.5168.6-174.6177.4175.5176.7-6.2111.2E34 E39 D40 V41E34-R37 HydrophobicContact CB-CB 4.2Å; E34-R37 WeakPolarHBondContact OE2-CD 3.3Å; E34-R37 IonicContact OE2-NH1 3.51Å; R37-E39 VanDerWaalsContact C-N 3.33Å; R37-E39 IonicContact CZ-OE1 2.79Å; R37-E39 IonicContact CZ-OE2 3.39Å; R37-E39 IonicContact NE-OE1 3.15Å; R37-E39 PolarHBondContact NE-OE1 3.44Å; R37-E39 IonicContact NE-OE2 2.87Å; R37-E39 VanDerWaalsContact NH2-CD 3.34Å; R37-E39 IonicContact NH2-OE1 3.12Å; R37-E39 PolarHBondContact NH2-OE1 3.34Å; R37-E39 IonicContact NH2-OE2 2.64Å; R37-E39 PolarHBondContact NH2-OE2 3.39Å; R37-E39 PolarHBondContact O-N 3.09Å; R37-D40 PolarHBondContact O-N 2.86Å; R37-D40 VanDerWaalsContact O-N 3.11Å; R37-V41 VanDerWaalsContact O-CG2 3.31Å; R37-V41 WeakPolarHBondContact O-CG2 3.38Å; R37-V41 PolarHBondContact O-N 3.01Å
38S82.1Confident87.7Confident19 Ų1947.8 Ų47.813%0.13322%0.222CC..Hα-helixtrans-50.1-46.3-175.750.60000114.1Y36 L42 L67Y36-S38 PolarHBondContact O-N 3.17Å; S38-L42 PolarHBondContact O-N 3.47Å; S38-L67 VanDerWaalsContact CB-CD2 3.49Å
39E83.3Confident87.6Confident64 Ų6448.2 Ų48.230%0.29922%0.221SC..Hα-helixtrans-62.2-44.5178.7-69.9165.2-135.700112.8R37 L42 L43 L145R37-E39 VanDerWaalsContact C-N 3.33Å; R37-E39 IonicContact CZ-OE1 2.79Å; R37-E39 IonicContact CZ-OE2 3.39Å; R37-E39 IonicContact NE-OE1 3.15Å; R37-E39 PolarHBondContact NE-OE1 3.44Å; R37-E39 IonicContact NE-OE2 2.87Å; R37-E39 VanDerWaalsContact NH2-CD 3.34Å; R37-E39 IonicContact NH2-OE1 3.12Å; R37-E39 PolarHBondContact NH2-OE1 3.34Å; R37-E39 IonicContact NH2-OE2 2.64Å; R37-E39 PolarHBondContact NH2-OE2 3.39Å; R37-E39 PolarHBondContact O-N 3.09Å; E39-L42 PolarHBondContact O-N 2.81Å; E39-L43 PolarHBondContact O-N 3.03Å; E39-L145 HydrophobicContact CG-CD2 3.82Å
40D86.3Confident87.6Confident2 Ų250.4 Ų50.41%0.01123%0.228CC..Hα-helixtrans-72.3-34.7-177.6-63.3-33.2000111.5R8 L30 V31 E34 R37 L43 Y44R8-D40 IonicContact CZ-OD1 3.97Å; R8-D40 IonicContact CZ-OD2 3.76Å; R8-D40 IonicContact NE-OD1 2.74Å; R8-D40 PolarHBondContact NE-OD1 3.29Å; R8-D40 IonicContact NE-OD2 3.8Å; R8-D40 VanDerWaalsContact NH2-CG 3.33Å; R8-D40 IonicContact NH2-OD1 3.17Å; R8-D40 PolarHBondContact NH2-OD1 2.96Å; R8-D40 VanDerWaalsContact NH2-OD1 3.12Å; R8-D40 IonicContact NH2-OD2 3.49Å; R8-D40 PolarHBondContact NH2-OD2 3Å; L30-D40 HydrophobicContact CD2-CB 4.2Å; L30-D40 HydrophobicContact CG-CB 4.17Å; V31-D40 HydrophobicContact CG2-CB 4.07Å; V31-D40 VanDerWaalsContact CG2-O 3.31Å; V31-D40 WeakPolarHBondContact CG2-O 3.39Å; E34-D40 WeakPolarHBondContact CB-OD2 3.49Å; E34-D40 VanDerWaalsContact CD-OD2 3.27Å; E34-D40 WeakPolarHBondContact CG-OD2 3.45Å; E34-D40 VanDerWaalsContact OE2-OD2 3.12Å; R37-D40 PolarHBondContact O-N 2.86Å; R37-D40 VanDerWaalsContact O-N 3.11Å; D40-L43 PolarHBondContact O-N 3.4Å; D40-Y44 PolarHBondContact O-N 2.95Å
41V88.5Confident87.7Confident1 Ų151.6 Ų51.61%0.00624%0.236CC..Hα-helixtrans-63.8-42.9173.3175.80000110.1V31 Y36 R37 Y44 A45 L60 L67V31-V41 HydrophobicContact CG1-CG2 3.89Å; V31-V41 HydrophobicContact CG2-CG2 4.38Å; Y36-V41 HydrophobicContact CD1-CG2 4.18Å; R37-V41 VanDerWaalsContact O-CG2 3.31Å; R37-V41 WeakPolarHBondContact O-CG2 3.38Å; R37-V41 PolarHBondContact O-N 3.01Å; V41-Y44 PolarHBondContact O-N 3.46Å; V41-A45 WeakPolarHBondContact O-CB 3.48Å; V41-A45 PolarHBondContact O-N 3Å; V41-L60 HydrophobicContact CB-CD2 4.48Å; V41-L60 HydrophobicContact CG1-CD2 3.28Å; V41-L60 HydrophobicContact CG1-CG 4.14Å; V41-L60 WeakPolarHBondContact O-CD2 3.21Å; V41-L67 HydrophobicContact CB-CD1 3.87Å; V41-L67 HydrophobicContact CG1-CD1 3.41Å; V41-L67 VanDerWaalsContact CG1-CD1 3.41Å
42L87.3Confident87.7Confident12 Ų1258.5 Ų58.56%0.06326%0.262CS..Hα-helixtrans-63.1-41.5173.9-173.575.4000111.6S38 E39 A45 K46 V72S38-L42 PolarHBondContact O-N 3.47Å; E39-L42 PolarHBondContact O-N 2.81Å; L42-A45 WeakPolarHBondContact O-CB 3.39Å; L42-A45 PolarHBondContact O-N 3.43Å; L42-K46 WeakPolarHBondContact O-CG 3.13Å; L42-K46 PolarHBondContact O-N 3.32Å; L42-V72 HydrophobicContact CD2-CG1 4.35Å
43L88.4Confident87.9Confident20 Ų2058.2 Ų58.211%0.10525%0.254CS..Hα-helixtrans-61.6-43.5176.7-177.361.2000111.8V11 L12 M15 L30 E39 D40 K46 A47V11-L43 HydrophobicContact CB-CD2 4.07Å; V11-L43 HydrophobicContact CG1-CD1 4.15Å; V11-L43 HydrophobicContact CG1-CD2 3.8Å; V11-L43 HydrophobicContact CG1-CG 3.81Å; L12-L43 HydrophobicContact CD2-CD1 3.58Å; L12-L43 HydrophobicContact CG-CD1 4.2Å; M15-L43 HydrophobicContact SD-CD1 3.86Å; L30-L43 HydrophobicContact CD2-CD2 4.1Å; E39-L43 PolarHBondContact O-N 3.03Å; D40-L43 PolarHBondContact O-N 3.4Å; L43-K46 PolarHBondContact O-N 3.16Å; L43-A47 PolarHBondContact O-N 3.17Å
44Y91.5Very high88.1Confident19 Ų1954.9 Ų54.98%0.07523%0.234CC..Hα-helixtrans-65.1-40.5174.7-177.1-157000111.9A27 D28 V31 D40 V41 K46 A47 L48 R56 L60A27-Y44 HydrophobicContact CB-CD2 3.69Å; A27-Y44 HydrophobicContact CB-CG 3.97Å; D28-Y44 HydrophobicContact CB-CE1 4.12Å; D28-Y44 HydrophobicContact CB-CE2 4.23Å; V31-Y44 HydrophobicContact CG2-CD1 4.1Å; V31-Y44 HydrophobicContact CG2-CG 4.38Å; D40-Y44 PolarHBondContact O-N 2.95Å; V41-Y44 PolarHBondContact O-N 3.46Å; Y44-K46 VanDerWaalsContact C-N 3.32Å; Y44-K46 PolarHBondContact O-N 2.9Å; Y44-A47 PolarHBondContact O-N 3.47Å; Y44-L48 HydrophobicContact CD2-CD1 4.13Å; Y44-L48 HydrophobicContact CD2-CG 3.98Å; Y44-L48 HydrophobicContact CE1-CD1 4.41Å; Y44-L48 HydrophobicContact CE2-CD1 3.8Å; Y44-L48 HydrophobicContact CE2-CD2 3.89Å; Y44-L48 HydrophobicContact CE2-CG 3.66Å; Y44-L48 WeakPolarHBondContact O-CG 3.1Å; Y44-L48 PolarHBondContact O-N 3.31Å; Y44-R56 PolarHBondContact OH-NH2 3.5Å; Y44-L60 HydrophobicContact CD1-CD1 3.13Å; Y44-L60 HydrophobicContact CE1-CD1 3.33Å; Y44-L60 HydrophobicContact CG-CD1 3.94Å
45A91Very high88.6Confident0 Ų058 Ų580%025%0.248CC..Hα-helixtrans-60.2-42.1174.700000112V41 L42 L48 Y49 A57 L60 I61 F76V41-A45 WeakPolarHBondContact O-CB 3.48Å; V41-A45 PolarHBondContact O-N 3Å; L42-A45 WeakPolarHBondContact O-CB 3.39Å; L42-A45 PolarHBondContact O-N 3.43Å; A45-L48 PolarHBondContact O-N 3.33Å; A45-Y49 PolarHBondContact O-N 2.99Å; A45-A57 HydrophobicContact CB-CB 4.45Å; A45-L60 HydrophobicContact CB-CD2 3.91Å; A45-I61 HydrophobicContact CB-CD1 3.77Å; A45-I61 HydrophobicContact CB-CG1 3.92Å; A45-F76 HydrophobicContact CB-CD1 4.48Å; A45-F76 HydrophobicContact CB-CE1 3.71Å; A45-F76 HydrophobicContact CB-CZ 4.24Å; A45-F76 WeakPolarHBondContact O-CZ 3.43Å
46K90.6Very high89.1Confident78 Ų7855.3 Ų55.334%0.33923%0.233SC..Hα-helixtrans-60.1-47.1173.6-73.2176.7178.1-178.20111.4M15 L42 L43 Y44 L48 Y49 Y50 F76M15-K46 HydrophobicContact CE-CB 3.91Å; L42-K46 WeakPolarHBondContact O-CG 3.13Å; L42-K46 PolarHBondContact O-N 3.32Å; L43-K46 PolarHBondContact O-N 3.16Å; Y44-K46 VanDerWaalsContact C-N 3.32Å; Y44-K46 PolarHBondContact O-N 2.9Å; K46-L48 VanDerWaalsContact C-N 3.31Å; K46-L48 PolarHBondContact O-N 3.29Å; K46-Y49 WeakPolarHBondContact O-CB 3.44Å; K46-Y49 PolarHBondContact O-N 3.45Å; K46-Y49 VanDerWaalsContact O-N 3.15Å; K46-Y50 WeakPolarHBondContact O-CD2 3.26Å; K46-Y50 PolarHBondContact O-N 3.33Å; K46-Y50 VanDerWaalsContact O-N 3.11Å; K46-F76 HydrophobicContact CG-CE2 3.92Å; K46-F76 HydrophobicContact CG-CZ 4.24Å
47A91.7Very high89.7Confident0 Ų048.3 Ų48.30%021%0.206CC..Hα-helixtrans-58.8-41.9176.400000112.2M15 A23 C24 L43 Y44 Y49 Y50 S51M15-A47 HydrophobicContact SD-CB 4.19Å; A23-A47 HydrophobicContact CB-CB 4.35Å; C24-A47 VanDerWaalsContact SG-C 3.59Å; C24-A47 PolarHBondContact SG-O 2.89Å; L43-A47 PolarHBondContact O-N 3.17Å; Y44-A47 PolarHBondContact O-N 3.47Å; A47-Y49 PolarHBondContact O-N 2.94Å; A47-Y50 PolarHBondContact O-N 2.97Å; A47-S51 WeakPolarHBondContact O-CB 3.47Å; A47-S51 PolarHBondContact O-N 2.92Å
48L93.1Very high90Very high2 Ų243.7 Ų43.71%0.0119%0.188CC..Hα-helixtrans-64.4-37.3175.4-72.3171000112.8Y44 A45 K46 S51 R52 Q53 R56 A57 L60Y44-L48 HydrophobicContact CD2-CD1 4.13Å; Y44-L48 HydrophobicContact CD2-CG 3.98Å; Y44-L48 HydrophobicContact CE1-CD1 4.41Å; Y44-L48 HydrophobicContact CE2-CD1 3.8Å; Y44-L48 HydrophobicContact CE2-CD2 3.89Å; Y44-L48 HydrophobicContact CE2-CG 3.66Å; Y44-L48 WeakPolarHBondContact O-CG 3.1Å; Y44-L48 PolarHBondContact O-N 3.31Å; A45-L48 PolarHBondContact O-N 3.33Å; K46-L48 VanDerWaalsContact C-N 3.31Å; K46-L48 PolarHBondContact O-N 3.29Å; L48-S51 CarbonylContact O-C 3.53Å; L48-S51 PolarHBondContact O-N 3.19Å; L48-R52 PolarHBondContact O-N 3.3Å; L48-Q53 HydrophobicContact CD2-CB 4.33Å; L48-Q53 PolarHBondContact O-N 3.41Å; L48-R56 HydrophobicContact CD1-CB 4.18Å; L48-R56 HydrophobicContact CD2-CB 4.47Å; L48-A57 HydrophobicContact CB-CB 3.96Å; L48-A57 HydrophobicContact CD1-CB 4.49Å; L48-L60 HydrophobicContact CD1-CD1 4.17Å
49Y92.3Very high90.4Very high63 Ų6344.9 Ų44.925%0.24720%0.199CC..Hα-helixtrans-62.2-48.2175.8177.2-89.1000111.7A45 K46 A47 S51 R52 Y54 F76 A83A45-Y49 PolarHBondContact O-N 2.99Å; K46-Y49 WeakPolarHBondContact O-CB 3.44Å; K46-Y49 PolarHBondContact O-N 3.45Å; K46-Y49 VanDerWaalsContact O-N 3.15Å; A47-Y49 PolarHBondContact O-N 2.94Å; Y49-S51 VanDerWaalsContact C-N 3.27Å; Y49-S51 PolarHBondContact O-N 3.46Å; Y49-R52 WeakPolarHBondContact O-CA 3.35Å; Y49-R52 PolarHBondContact O-N 3.02Å; Y49-Y54 AromaticContact CD2-CD1 3.66Å; Y49-Y54 HydrophobicContact CD2-CD1 3.66Å; Y49-Y54 AromaticContact CD2-CE1 3.81Å; Y49-Y54 HydrophobicContact CD2-CE1 3.81Å; Y49-Y54 AromaticContact CE2-CD1 4Å; Y49-Y54 HydrophobicContact CE2-CD1 4Å; Y49-Y54 AromaticContact CE2-CE1 3.87Å; Y49-Y54 HydrophobicContact CE2-CE1 3.87Å; Y49-Y54 HydrophobicContact CG-CD1 4.39Å; Y49-Y54 HydrophobicContact CG-CE1 4.33Å; Y49-Y54 WeakPolarHBondContact O-CE1 3.48Å; Y49-F76 HydrophobicContact CD2-CE2 4.48Å; Y49-F76 HydrophobicContact CD2-CZ 4.37Å; Y49-F76 HydrophobicContact CG-CE2 4.26Å; Y49-F76 HydrophobicContact CG-CZ 4.16Å; Y49-A83 HydrophobicContact CE2-CB 4.31Å
50Y91.1Very high90.6Very high118 Ų11843.2 Ų43.246%0.46319%0.192SC..Hα-helixtrans-65.9-31.2176.3-67.9-68.7000112.7M15 Y20 K46 A47 R52M15-Y50 HydrophobicContact CE-CD2 3.45Å; M15-Y50 VanDerWaalsContact CE-CD2 3.45Å; M15-Y50 HydrophobicContact CE-CE2 3.44Å; M15-Y50 VanDerWaalsContact CE-CE2 3.44Å; Y20-Y50 VanDerWaalsContact CD1-CB 3.43Å; Y20-Y50 HydrophobicContact CD1-CG 4.29Å; Y20-Y50 VanDerWaalsContact CE1-CB 3.47Å; Y20-Y50 HydrophobicContact CE1-CD1 4.35Å; Y20-Y50 AromaticContact CE1-CG 3.95Å; Y20-Y50 HydrophobicContact CE1-CG 3.95Å; K46-Y50 WeakPolarHBondContact O-CD2 3.26Å; K46-Y50 PolarHBondContact O-N 3.33Å; K46-Y50 VanDerWaalsContact O-N 3.11Å; A47-Y50 PolarHBondContact O-N 2.97Å; Y50-R52 PolarHBondContact O-N 3.13Å; Y50-R52 VanDerWaalsContact O-N 3.16Å
51S92.4Very high90.6Very high25 Ų2543.1 Ų43.118%0.17519%0.192CC..THydrogen-bonded Turntrans-71.73.8169.8-171.80000114A47 L48 Y49 Q53A47-S51 WeakPolarHBondContact O-CB 3.47Å; A47-S51 PolarHBondContact O-N 2.92Å; L48-S51 CarbonylContact O-C 3.53Å; L48-S51 PolarHBondContact O-N 3.19Å; Y49-S51 VanDerWaalsContact C-N 3.27Å; Y49-S51 PolarHBondContact O-N 3.46Å; S51-Q53 VanDerWaalsContact C-N 3.26Å; S51-Q53 PolarHBondContact O-N 2.9Å
52R90.2Very high90.4Very high148 Ų14845.8 Ų45.856%0.55820%0.204SC*.THydrogen-bonded Turntrans62.323.5-177.7-53.8-179.8-179.8173.35.4114.6L48 Y49 Y50 Y54L48-R52 PolarHBondContact O-N 3.3Å; Y49-R52 WeakPolarHBondContact O-CA 3.35Å; Y49-R52 PolarHBondContact O-N 3.02Å; Y50-R52 PolarHBondContact O-N 3.13Å; Y50-R52 VanDerWaalsContact O-N 3.16Å; R52-Y54 HydrophobicContact CB-CE2 4.47Å; R52-Y54 PolarHBondContact O-N 2.97Å
53Q92.8Very high90.3Very high64 Ų6451.6 Ų51.630%0.29924%0.235SC..  trans-101.661.9179.8-63.9-179.89.800111.4L48 S51 H55 R56 A57L48-Q53 HydrophobicContact CD2-CB 4.33Å; L48-Q53 PolarHBondContact O-N 3.41Å; S51-Q53 VanDerWaalsContact C-N 3.26Å; S51-Q53 PolarHBondContact O-N 2.9Å; Q53-H55 PolarHBondContact O-N 2.97Å; Q53-R56 HydrophobicContact CB-CB 4.36Å; Q53-R56 PolarHBondContact O-N 3.32Å; Q53-R56 VanDerWaalsContact OE1-CD 3.28Å; Q53-A57 PolarHBondContact O-N 3.2Å
54Y92.6Very high89.8Confident37 Ų3751.9 Ų51.915%0.14524%0.238CC..Hα-helixtrans-62.5-43.5-169.1-47.9-58.7000113.9Y49 R52 R56 A57 I58 A83 C84Y49-Y54 AromaticContact CD2-CD1 3.66Å; Y49-Y54 HydrophobicContact CD2-CD1 3.66Å; Y49-Y54 AromaticContact CD2-CE1 3.81Å; Y49-Y54 HydrophobicContact CD2-CE1 3.81Å; Y49-Y54 AromaticContact CE2-CD1 4Å; Y49-Y54 HydrophobicContact CE2-CD1 4Å; Y49-Y54 AromaticContact CE2-CE1 3.87Å; Y49-Y54 HydrophobicContact CE2-CE1 3.87Å; Y49-Y54 HydrophobicContact CG-CD1 4.39Å; Y49-Y54 HydrophobicContact CG-CE1 4.33Å; Y49-Y54 WeakPolarHBondContact O-CE1 3.48Å; R52-Y54 HydrophobicContact CB-CE2 4.47Å; R52-Y54 PolarHBondContact O-N 2.97Å; Y54-R56 VanDerWaalsContact C-N 3.29Å; Y54-R56 PolarHBondContact O-N 3.31Å; Y54-A57 WeakPolarHBondContact O-CB 3.39Å; Y54-A57 PolarHBondContact O-N 3.05Å; Y54-A57 VanDerWaalsContact O-N 3.16Å; Y54-I58 WeakPolarHBondContact O-CG1 3.42Å; Y54-I58 PolarHBondContact O-N 2.91Å; Y54-A83 HydrophobicContact CD1-CB 3.95Å; Y54-A83 HydrophobicContact CD2-CB 4.06Å; Y54-A83 HydrophobicContact CE1-CB 3.72Å; Y54-A83 HydrophobicContact CE2-CB 3.82Å; Y54-A83 HydrophobicContact CG-CB 4.11Å; Y54-C84 WeakPolarHBondContact CB-SG 3.41Å
55H92.5Very high88.9Confident112 Ų11259.5 Ų59.552%0.51927%0.272SS..Hα-helixtrans-63.3-33.8179.2-70.2-67.2000113.1Q53 I58 A59 C84Q53-H55 PolarHBondContact O-N 2.97Å; H55-I58 PolarHBondContact O-N 3.43Å; H55-A59 WeakPolarHBondContact O-CB 3.36Å; H55-A59 PolarHBondContact O-N 3.5Å; H55-C84 PolarHBondContact NE2-SG 2.89Å
56R92Very high87.9Confident130 Ų13066.1 Ų66.149%0.49130%0.303SS..Hα-helixtrans-67.2-42.2174.7-72.5-178.561.3-175.52.9111.1Y44 L48 Q53 Y54 A59 L60Y44-R56 PolarHBondContact OH-NH2 3.5Å; L48-R56 HydrophobicContact CD1-CB 4.18Å; L48-R56 HydrophobicContact CD2-CB 4.47Å; Q53-R56 HydrophobicContact CB-CB 4.36Å; Q53-R56 PolarHBondContact O-N 3.32Å; Q53-R56 VanDerWaalsContact OE1-CD 3.28Å; Y54-R56 VanDerWaalsContact C-N 3.29Å; Y54-R56 PolarHBondContact O-N 3.31Å; R56-A59 PolarHBondContact O-N 2.9Å; R56-L60 VanDerWaalsContact O-CB 3.29Å; R56-L60 WeakPolarHBondContact O-CB 3.4Å; R56-L60 PolarHBondContact O-N 3.15Å
57A91Very high86.9Confident0 Ų062.5 Ų62.50%029%0.287CS..Hα-helixtrans-61.7-44.1176.200000111.5A45 L48 Q53 Y54 L60 I61 F76A45-A57 HydrophobicContact CB-CB 4.45Å; L48-A57 HydrophobicContact CB-CB 3.96Å; L48-A57 HydrophobicContact CD1-CB 4.49Å; Q53-A57 PolarHBondContact O-N 3.2Å; Y54-A57 WeakPolarHBondContact O-CB 3.39Å; Y54-A57 PolarHBondContact O-N 3.05Å; Y54-A57 VanDerWaalsContact O-N 3.16Å; A57-L60 PolarHBondContact O-N 3.07Å; A57-I61 WeakPolarHBondContact O-CG1 3.39Å; A57-I61 PolarHBondContact O-N 3.42Å; A57-I61 VanDerWaalsContact O-N 3.15Å; A57-F76 HydrophobicContact CB-CE1 4.31Å
58I89.5Confident85.8Confident4 Ų467 Ų672%0.02131%0.307CS..Hα-helixtrans-60.4-51.1176.9-66.3162.1000111Y54 H55 L60 I61 Q62 C80 Y81Y54-I58 WeakPolarHBondContact O-CG1 3.42Å; Y54-I58 PolarHBondContact O-N 2.91Å; H55-I58 PolarHBondContact O-N 3.43Å; I58-L60 VanDerWaalsContact C-N 3.29Å; I58-L60 PolarHBondContact O-N 2.91Å; I58-I61 PolarHBondContact O-N 3.36Å; I58-Q62 HydrophobicContact CG2-CG 4.19Å; I58-Q62 WeakPolarHBondContact O-CB 3.35Å; I58-Q62 WeakPolarHBondContact O-CG 3.4Å; I58-Q62 PolarHBondContact O-N 3.39Å; I58-C80 HydrophobicContact CD1-CB 3.61Å; I58-C80 HydrophobicContact CG1-CB 3.44Å; I58-C80 VanDerWaalsContact CG1-CB 3.44Å; I58-Y81 HydrophobicContact CD1-CD1 3.83Å; I58-Y81 HydrophobicContact CD1-CD2 4.2Å; I58-Y81 HydrophobicContact CD1-CE1 3.77Å; I58-Y81 HydrophobicContact CD1-CE2 4.14Å; I58-Y81 HydrophobicContact CD1-CG 4.05Å; I58-Y81 HydrophobicContact CG2-CE2 4.07Å
59A90.4Very high84.8Confident43 Ų4374.5 Ų74.536%0.35534%0.342SS..Hα-helixtrans-60.4-40-178.800000112.1H55 R56 Q62 N63H55-A59 WeakPolarHBondContact O-CB 3.36Å; H55-A59 PolarHBondContact O-N 3.5Å; R56-A59 PolarHBondContact O-N 2.9Å; A59-Q62 PolarHBondContact O-N 2.88Å; A59-N63 PolarHBondContact O-N 3.2Å; A59-N63 PolarHBondContact O-ND2 2.9Å; A59-N63 PolarHBondContact O-OD1 3.26Å
60L88Confident84.2Confident30 Ų3072 Ų7216%0.15733%0.333CS..Hα-helixtrans-62.7-43.7178.6173.5150.8000112.3V41 Y44 A45 L48 R56 A57 I58 N63V41-L60 HydrophobicContact CB-CD2 4.48Å; V41-L60 HydrophobicContact CG1-CD2 3.28Å; V41-L60 HydrophobicContact CG1-CG 4.14Å; V41-L60 WeakPolarHBondContact O-CD2 3.21Å; Y44-L60 HydrophobicContact CD1-CD1 3.13Å; Y44-L60 HydrophobicContact CE1-CD1 3.33Å; Y44-L60 HydrophobicContact CG-CD1 3.94Å; A45-L60 HydrophobicContact CB-CD2 3.91Å; L48-L60 HydrophobicContact CD1-CD1 4.17Å; R56-L60 VanDerWaalsContact O-CB 3.29Å; R56-L60 WeakPolarHBondContact O-CB 3.4Å; R56-L60 PolarHBondContact O-N 3.15Å; A57-L60 PolarHBondContact O-N 3.07Å; I58-L60 VanDerWaalsContact C-N 3.29Å; I58-L60 PolarHBondContact O-N 2.91Å; L60-N63 PolarHBondContact O-N 3.48Å
61I85.8Confident83.7Confident0 Ų068.6 Ų68.60%032%0.323CS..Hα-helixtrans-70.7-39.8176.6-61.8169.2000110.4A45 A57 I58 N63 C64 L67 C73 F76 I77A45-I61 HydrophobicContact CB-CD1 3.77Å; A45-I61 HydrophobicContact CB-CG1 3.92Å; A57-I61 WeakPolarHBondContact O-CG1 3.39Å; A57-I61 PolarHBondContact O-N 3.42Å; A57-I61 VanDerWaalsContact O-N 3.15Å; I58-I61 PolarHBondContact O-N 3.36Å; I61-N63 PolarHBondContact O-N 3.19Å; I61-C64 PolarHBondContact O-N 3.42Å; I61-C64 VanDerWaalsContact O-N 3.13Å; I61-L67 HydrophobicContact CG2-CB 4.1Å; I61-C73 HydrophobicContact CG2-CB 4.09Å; I61-F76 HydrophobicContact CD1-CD1 3.34Å; I61-F76 HydrophobicContact CD1-CE1 3.76Å; I61-F76 HydrophobicContact CD1-CG 4.45Å; I61-I77 HydrophobicContact CB-CD1 4.14Å; I61-I77 HydrophobicContact CB-CG1 4.22Å; I61-I77 HydrophobicContact CD1-CG1 4.13Å; I61-I77 HydrophobicContact CG2-CD1 3.51Å; I61-I77 HydrophobicContact CG2-CG1 3.97Å
62Q85.4Confident83.3Confident57 Ų5768.7 Ų68.727%0.26632%0.323SS..Hα-helixtrans-66.2-21.3178.6-74.6180-7.200113.9I58 A59 C64 K68 Y81I58-Q62 HydrophobicContact CG2-CG 4.19Å; I58-Q62 WeakPolarHBondContact O-CB 3.35Å; I58-Q62 WeakPolarHBondContact O-CG 3.4Å; I58-Q62 PolarHBondContact O-N 3.39Å; A59-Q62 PolarHBondContact O-N 2.88Å; Q62-C64 VanDerWaalsContact C-N 3.32Å; Q62-K68 WeakPolarHBondContact O-CE 3.45Å; Q62-K68 PolarHBondContact O-NZ 2.97Å; Q62-Y81 PolarHBondContact NE2-OH 3.25Å
63N84Confident83Confident134 Ų13461.7 Ų61.772%0.71730%0.296SS*.Hα-helixtrans-75.9-22.6175-71.9-16.8000112.6A59 L60 I61A59-N63 PolarHBondContact O-N 3.2Å; A59-N63 PolarHBondContact O-ND2 2.9Å; A59-N63 PolarHBondContact O-OD1 3.26Å; L60-N63 PolarHBondContact O-N 3.48Å; I61-N63 PolarHBondContact O-N 3.19Å
64C78.9Confident82.7Confident25 Ų2561.3 Ų61.317%0.16929%0.292CS..  trans-96.4106-179.2-60.50000110.4I61 Q62 E66 L67 K68I61-C64 PolarHBondContact O-N 3.42Å; I61-C64 VanDerWaalsContact O-N 3.13Å; Q62-C64 VanDerWaalsContact C-N 3.32Å; C64-E66 VanDerWaalsContact C-N 3.31Å; C64-E66 PolarHBondContact O-N 3.48Å; C64-L67 HydrophobicContact CB-CB 4.08Å; C64-L67 HydrophobicContact CB-CD1 3.66Å; C64-L67 HydrophobicContact CB-CG 3.88Å; C64-L67 PolarHBondContact O-N 3.29Å; C64-K68 PolarHBondContact O-N 3Å
65K72.8Confident82.5Confident180 Ų18061.3 Ų61.378%0.78329%0.292SS*.THydrogen-bonded Turntrans-59.6-38.3-176.3-68.9-177-179.4178.50113.2L67 K68K65-L67 VanDerWaalsContact C-N 3.32Å; K65-L67 PolarHBondContact O-N 3.35Å; K65-K68 PolarHBondContact O-N 3.16Å
66E69.9Low82.3Confident139 Ų13956.6 Ų56.665%0.6527%0.27SS*.THydrogen-bonded Turntrans-63.9-37.7-179.9-63.8176.8-177.100112C64 K68 Q69C64-E66 VanDerWaalsContact C-N 3.31Å; C64-E66 PolarHBondContact O-N 3.48Å; E66-K68 VanDerWaalsContact C-N 3.33Å; E66-K68 PolarHBondContact O-N 3.34Å; E66-Q69 PolarHBondContact O-N 2.91Å
67L68.7Low82.2Confident2 Ų250.6 Ų50.61%0.0125%0.247CC..G310 helixtrans-72.1-26.2-178.9-65.8179.8000112.6S38 V41 I61 C64 K65 Q69 S70 C73S38-L67 VanDerWaalsContact CB-CD2 3.49Å; V41-L67 HydrophobicContact CB-CD1 3.87Å; V41-L67 HydrophobicContact CG1-CD1 3.41Å; V41-L67 VanDerWaalsContact CG1-CD1 3.41Å; I61-L67 HydrophobicContact CG2-CB 4.1Å; C64-L67 HydrophobicContact CB-CB 4.08Å; C64-L67 HydrophobicContact CB-CD1 3.66Å; C64-L67 HydrophobicContact CB-CG 3.88Å; C64-L67 PolarHBondContact O-N 3.29Å; K65-L67 VanDerWaalsContact C-N 3.32Å; K65-L67 PolarHBondContact O-N 3.35Å; L67-Q69 PolarHBondContact O-N 3.46Å; L67-S70 PolarHBondContact O-N 3.46Å; L67-C73 HydrophobicContact CB-CB 4.4Å; L67-C73 WeakPolarHBondContact O-CB 3.36Å
68K68.3Low82.1Confident95 Ų9550.6 Ų50.641%0.41325%0.247SC..G310 helixtrans-62.3-26.8178.9-69-173.8179.3174.80113.5Q62 C64 K65 E66 R74Q62-K68 WeakPolarHBondContact O-CE 3.45Å; Q62-K68 PolarHBondContact O-NZ 2.97Å; C64-K68 PolarHBondContact O-N 3Å; K65-K68 PolarHBondContact O-N 3.16Å; E66-K68 VanDerWaalsContact C-N 3.33Å; E66-K68 PolarHBondContact O-N 3.34Å; K68-R74 PolarHBondContact O-NE 3.37Å
69Q71.6Confident82.2Confident159 Ų15952.6 Ų52.674%0.74326%0.257SS*.G310 helixtrans-85.7-22.9-178-68.1-177.7-18.700112.6E66 L67 L71E66-Q69 PolarHBondContact O-N 2.91Å; L67-Q69 PolarHBondContact O-N 3.46Å; Q69-L71 PolarHBondContact O-N 3.42Å
70S79.5Confident82.3Confident10 Ų1050.5 Ų50.57%0.0724%0.24CC..  trans-70128179.4-179.60000111.7L67 V72 C73 R74L67-S70 PolarHBondContact O-N 3.46Å; S70-V72 PolarHBondContact O-N 2.94Å; S70-C73 PolarHBondContact O-N 2.9Å; S70-C73 VanDerWaalsContact O-N 3.17Å; S70-R74 PolarHBondContact O-N 3.4Å; S70-R74 VanDerWaalsContact O-N 3.08Å
71L82.4Confident82.5Confident47 Ų4750.1 Ų50.125%0.24624%0.236CC..Hα-helixtrans-55.6-40.2177-17173.8000111.6Q69 C73 R74 Y75 L154 I158Q69-L71 PolarHBondContact O-N 3.42Å; L71-C73 PolarHBondContact O-N 2.89Å; L71-R74 PolarHBondContact O-N 2.99Å; L71-Y75 WeakPolarHBondContact O-CB 3.41Å; L71-Y75 PolarHBondContact O-N 3.39Å; L71-L154 HydrophobicContact CB-CD2 4.26Å; L71-L154 HydrophobicContact CD2-CD2 3.63Å; L71-L154 HydrophobicContact CD2-CG 4.07Å; L71-L154 HydrophobicContact CG-CD2 4.02Å; L71-I158 HydrophobicContact CD1-CD1 3.8Å; L71-I158 HydrophobicContact CD2-CD1 3.91Å; L71-I158 HydrophobicContact CG-CD1 3.7Å
72V83.7Confident82.8Confident27 Ų2753 Ų5316%0.16425%0.247CC..Hα-helixtrans-60.3-45178.7179.70000111.3L42 S70 Y75 F76 I146 L154L42-V72 HydrophobicContact CD2-CG1 4.35Å; S70-V72 PolarHBondContact O-N 2.94Å; V72-Y75 PolarHBondContact O-N 3.39Å; V72-F76 WeakPolarHBondContact O-CB 3.1Å; V72-F76 PolarHBondContact O-N 3.26Å; V72-I146 HydrophobicContact CG2-CG1 4.4Å; V72-L154 HydrophobicContact CG2-CD2 3.63Å
73C84.2Confident83Confident0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-71.5-35.5-179.1-66.20000112I61 L67 S70 L71 F76 I77I61-C73 HydrophobicContact CG2-CB 4.09Å; L67-C73 HydrophobicContact CB-CB 4.4Å; L67-C73 WeakPolarHBondContact O-CB 3.36Å; S70-C73 PolarHBondContact O-N 2.9Å; S70-C73 VanDerWaalsContact O-N 3.17Å; L71-C73 PolarHBondContact O-N 2.89Å; C73-F76 PolarHBondContact O-N 3.25Å; C73-I77 WeakPolarHBondContact O-CB 3.49Å; C73-I77 VanDerWaalsContact O-CG1 3.28Å; C73-I77 WeakPolarHBondContact O-CG1 3.48Å; C73-I77 PolarHBondContact O-N 3.33Å
74R85.1Confident83.3Confident56 Ų5646.7 Ų46.721%0.21122%0.222CC..Hα-helixtrans-64.2-46.5173.2-68.7-176-171.5178.51.4111.6K68 S70 L71 F76 I77 A78 Q96K68-R74 PolarHBondContact O-NE 3.37Å; S70-R74 PolarHBondContact O-N 3.4Å; S70-R74 VanDerWaalsContact O-N 3.08Å; L71-R74 PolarHBondContact O-N 2.99Å; R74-F76 VanDerWaalsContact C-N 3.3Å; R74-F76 PolarHBondContact O-N 2.97Å; R74-I77 PolarHBondContact O-N 2.96Å; R74-A78 WeakPolarHBondContact O-CB 3.21Å; R74-A78 PolarHBondContact O-N 3.02Å; R74-Q96 PolarHBondContact NH1-O 3.3Å
75Y88.5Confident83.7Confident38 Ų3848.5 Ų48.515%0.14924%0.235CC..Hα-helixtrans-55.8-46.9173.8172.3-116.1000111.3L71 V72 A78 Q79 L154 S157 I158 L161L71-Y75 WeakPolarHBondContact O-CB 3.41Å; L71-Y75 PolarHBondContact O-N 3.39Å; V72-Y75 PolarHBondContact O-N 3.39Å; Y75-A78 WeakPolarHBondContact O-CB 3.37Å; Y75-A78 PolarHBondContact O-N 3.44Å; Y75-Q79 HydrophobicContact CD2-CG 4.44Å; Y75-Q79 HydrophobicContact CE1-CG 4.29Å; Y75-Q79 VanDerWaalsContact CE1-NE2 3.27Å; Y75-Q79 HydrophobicContact CE2-CG 4.06Å; Y75-Q79 WeakPolarHBondContact O-CG 3.48Å; Y75-Q79 PolarHBondContact O-N 2.95Å; Y75-Q79 PolarHBondContact OH-NE2 3.44Å; Y75-L154 HydrophobicContact CD1-CD1 4.02Å; Y75-L154 HydrophobicContact CG-CD1 4.31Å; Y75-S157 WeakPolarHBondContact CE2-O 3.28Å; Y75-S157 WeakPolarHBondContact OH-CB 3.18Å; Y75-I158 HydrophobicContact CD2-CB 4.46Å; Y75-I158 HydrophobicContact CD2-CG1 3.58Å; Y75-I158 HydrophobicContact CE2-CG1 4.34Å; Y75-I158 HydrophobicContact CG-CG1 4Å; Y75-L161 HydrophobicContact CD2-CD2 4.02Å; Y75-L161 HydrophobicContact CE2-CB 4.14Å; Y75-L161 HydrophobicContact CE2-CD2 3.92Å
76F88.4Confident84.6Confident13 Ų1342.7 Ų42.76%0.05721%0.211CC..Hα-helixtrans-64.6-41.3178-173.2-94.3000113.1A45 K46 Y49 A57 I61 V72 C73 R74 A78 Q79 C80A45-F76 HydrophobicContact CB-CD1 4.48Å; A45-F76 HydrophobicContact CB-CE1 3.71Å; A45-F76 HydrophobicContact CB-CZ 4.24Å; A45-F76 WeakPolarHBondContact O-CZ 3.43Å; K46-F76 HydrophobicContact CG-CE2 3.92Å; K46-F76 HydrophobicContact CG-CZ 4.24Å; Y49-F76 HydrophobicContact CD2-CE2 4.48Å; Y49-F76 HydrophobicContact CD2-CZ 4.37Å; Y49-F76 HydrophobicContact CG-CE2 4.26Å; Y49-F76 HydrophobicContact CG-CZ 4.16Å; A57-F76 HydrophobicContact CB-CE1 4.31Å; I61-F76 HydrophobicContact CD1-CD1 3.34Å; I61-F76 HydrophobicContact CD1-CE1 3.76Å; I61-F76 HydrophobicContact CD1-CG 4.45Å; V72-F76 WeakPolarHBondContact O-CB 3.1Å; V72-F76 PolarHBondContact O-N 3.26Å; C73-F76 PolarHBondContact O-N 3.25Å; R74-F76 VanDerWaalsContact C-N 3.3Å; R74-F76 PolarHBondContact O-N 2.97Å; F76-A78 VanDerWaalsContact C-N 3.3Å; F76-A78 PolarHBondContact O-N 2.86Å; F76-Q79 WeakPolarHBondContact O-CB 3.44Å; F76-Q79 PolarHBondContact O-N 3.13Å; F76-C80 PolarHBondContact O-N 3.48Å; F76-C80 PolarHBondContact O-SG 3.37Å; F76-C80 VanDerWaalsContact O-SG 3.33Å
77I89.6Confident85.5Confident3 Ų338.5 Ų38.52%0.01519%0.189CC..Hα-helixtrans-59-44.3172.9-73.2162.2000110.4I61 C73 R74 Q79 C80 Y81 F93I61-I77 HydrophobicContact CB-CD1 4.14Å; I61-I77 HydrophobicContact CB-CG1 4.22Å; I61-I77 HydrophobicContact CD1-CG1 4.13Å; I61-I77 HydrophobicContact CG2-CD1 3.51Å; I61-I77 HydrophobicContact CG2-CG1 3.97Å; C73-I77 WeakPolarHBondContact O-CB 3.49Å; C73-I77 VanDerWaalsContact O-CG1 3.28Å; C73-I77 WeakPolarHBondContact O-CG1 3.48Å; C73-I77 PolarHBondContact O-N 3.33Å; R74-I77 PolarHBondContact O-N 2.96Å; I77-Q79 VanDerWaalsContact C-N 3.34Å; I77-Q79 PolarHBondContact O-N 3.03Å; I77-C80 WeakPolarHBondContact O-CB 3.28Å; I77-C80 PolarHBondContact O-N 2.93Å; I77-Y81 HydrophobicContact CG2-CD2 3.65Å; I77-Y81 HydrophobicContact CG2-CE2 3.49Å; I77-Y81 VanDerWaalsContact CG2-CE2 3.49Å; I77-Y81 WeakPolarHBondContact O-CD2 3.37Å; I77-Y81 PolarHBondContact O-N 2.89Å; I77-F93 HydrophobicContact CG2-CD1 4.24Å; I77-F93 HydrophobicContact CG2-CD2 4.21Å; I77-F93 HydrophobicContact CG2-CE2 4.49Å; I77-F93 HydrophobicContact CG2-CG 4.09Å
78A90.4Very high86.5Confident0 Ų045.2 Ų45.20%022%0.218CC..Hα-helixtrans-62-40.9177.600000111.7R74 Y75 F76 C80 Y81 Y82 S90 L94 L161R74-A78 WeakPolarHBondContact O-CB 3.21Å; R74-A78 PolarHBondContact O-N 3.02Å; Y75-A78 WeakPolarHBondContact O-CB 3.37Å; Y75-A78 PolarHBondContact O-N 3.44Å; F76-A78 VanDerWaalsContact C-N 3.3Å; F76-A78 PolarHBondContact O-N 2.86Å; A78-C80 PolarHBondContact O-N 3.46Å; A78-Y81 PolarHBondContact O-N 3.06Å; A78-Y82 WeakPolarHBondContact O-CB 3.32Å; A78-Y82 PolarHBondContact O-N 3.29Å; A78-S90 WeakPolarHBondContact CA-OG 3.24Å; A78-S90 PolarHBondContact O-OG 3.45Å; A78-L94 HydrophobicContact CB-CD1 3.96Å; A78-L94 HydrophobicContact CB-CD2 3.52Å; A78-L94 HydrophobicContact CB-CG 3.57Å; A78-L161 HydrophobicContact CB-CD2 3.7Å
79Q91.2Very high87.5Confident46 Ų4644.9 Ų44.922%0.21522%0.217CC..Hα-helixtrans-61.6-39.8172.8-72.2-172.9-30.100112.8Y75 F76 I77 Y82 A83 L161Y75-Q79 HydrophobicContact CD2-CG 4.44Å; Y75-Q79 HydrophobicContact CE1-CG 4.29Å; Y75-Q79 VanDerWaalsContact CE1-NE2 3.27Å; Y75-Q79 HydrophobicContact CE2-CG 4.06Å; Y75-Q79 WeakPolarHBondContact O-CG 3.48Å; Y75-Q79 PolarHBondContact O-N 2.95Å; Y75-Q79 PolarHBondContact OH-NE2 3.44Å; F76-Q79 WeakPolarHBondContact O-CB 3.44Å; F76-Q79 PolarHBondContact O-N 3.13Å; I77-Q79 VanDerWaalsContact C-N 3.34Å; I77-Q79 PolarHBondContact O-N 3.03Å; Q79-Y82 WeakPolarHBondContact O-CB 3.42Å; Q79-Y82 PolarHBondContact O-N 3.48Å; Q79-A83 PolarHBondContact O-N 2.94Å; Q79-L161 HydrophobicContact CG-CD2 3.98Å
80C91.5Very high88.2Confident0 Ų037.3 Ų37.30%018%0.181CC..Hα-helixtrans-63.1-45.1174.9-66.30000111.7I58 F76 I77 A78 Y82 A83 C84I58-C80 HydrophobicContact CD1-CB 3.61Å; I58-C80 HydrophobicContact CG1-CB 3.44Å; I58-C80 VanDerWaalsContact CG1-CB 3.44Å; F76-C80 PolarHBondContact O-N 3.48Å; F76-C80 PolarHBondContact O-SG 3.37Å; F76-C80 VanDerWaalsContact O-SG 3.33Å; I77-C80 WeakPolarHBondContact O-CB 3.28Å; I77-C80 PolarHBondContact O-N 2.93Å; A78-C80 PolarHBondContact O-N 3.46Å; C80-Y82 VanDerWaalsContact C-N 3.34Å; C80-A83 PolarHBondContact O-N 2.94Å; C80-C84 PolarHBondContact O-N 2.91Å; C80-C84 VanDerWaalsContact O-N 3.08Å
81Y92.8Very high88.6Confident21 Ų2138.1 Ų38.18%0.08219%0.185CC..Hα-helixtrans-65.2-37.4176.5-79.2-60.9000112.5I58 Q62 I77 A78 A83 C84 S85 E86 K89 F93I58-Y81 HydrophobicContact CD1-CD1 3.83Å; I58-Y81 HydrophobicContact CD1-CD2 4.2Å; I58-Y81 HydrophobicContact CD1-CE1 3.77Å; I58-Y81 HydrophobicContact CD1-CE2 4.14Å; I58-Y81 HydrophobicContact CD1-CG 4.05Å; I58-Y81 HydrophobicContact CG2-CE2 4.07Å; Q62-Y81 PolarHBondContact NE2-OH 3.25Å; I77-Y81 HydrophobicContact CG2-CD2 3.65Å; I77-Y81 HydrophobicContact CG2-CE2 3.49Å; I77-Y81 VanDerWaalsContact CG2-CE2 3.49Å; I77-Y81 WeakPolarHBondContact O-CD2 3.37Å; I77-Y81 PolarHBondContact O-N 2.89Å; A78-Y81 PolarHBondContact O-N 3.06Å; Y81-A83 VanDerWaalsContact C-N 3.35Å; Y81-C84 PolarHBondContact O-N 2.94Å; Y81-S85 PolarHBondContact O-N 3.38Å; Y81-E86 HydrophobicContact CD1-CB 4.05Å; Y81-E86 VanDerWaalsContact CD1-OE2 3.26Å; Y81-E86 WeakPolarHBondContact CD1-OE2 3.46Å; Y81-E86 VanDerWaalsContact CE1-OE2 3.25Å; Y81-E86 WeakPolarHBondContact CE1-OE2 3.43Å; Y81-E86 PolarHBondContact O-N 3.39Å; Y81-K89 HydrophobicContact CD1-CB 4.14Å; Y81-K89 HydrophobicContact CD1-CD 4.34Å; Y81-K89 HydrophobicContact CE1-CB 4.25Å; Y81-K89 HydrophobicContact CE1-CD 3.9Å; Y81-K89 HydrophobicContact CG-CB 4.29Å; Y81-F93 HydrophobicContact CD2-CD2 4.02Å; Y81-F93 HydrophobicContact CD2-CE2 4.38Å; Y81-F93 AromaticContact CE2-CD2 3.55Å; Y81-F93 HydrophobicContact CE2-CD2 3.55Å; Y81-F93 AromaticContact CE2-CE2 3.47Å; Y81-F93 HydrophobicContact CE2-CE2 3.47Å; Y81-F93 VanDerWaalsContact CE2-CE2 3.47Å; Y81-F93 HydrophobicContact CE2-CZ 4.41Å
82Y91.7Very high88.8Confident60 Ų6041.2 Ų41.224%0.23520%0.198CC..Hα-helixtrans-58.5-46.3172.7177.2-95.8000111.1A78 Q79 C80 C84 S85 Y87 L161 K164 L165 L168A78-Y82 WeakPolarHBondContact O-CB 3.32Å; A78-Y82 PolarHBondContact O-N 3.29Å; Q79-Y82 WeakPolarHBondContact O-CB 3.42Å; Q79-Y82 PolarHBondContact O-N 3.48Å; C80-Y82 VanDerWaalsContact C-N 3.34Å; Y82-C84 VanDerWaalsContact C-N 3.28Å; Y82-C84 PolarHBondContact O-N 2.88Å; Y82-S85 PolarHBondContact O-N 3.07Å; Y82-S85 VanDerWaalsContact O-N 3.07Å; Y82-Y87 HydrophobicContact CD2-CD1 4.47Å; Y82-L161 HydrophobicContact CD1-CD1 4.39Å; Y82-L161 HydrophobicContact CD2-CD1 3.95Å; Y82-L161 HydrophobicContact CG-CD1 3.89Å; Y82-K164 HydrophobicContact CE2-CB 3.89Å; Y82-L165 HydrophobicContact CD2-CD2 3.79Å; Y82-L165 HydrophobicContact CD2-CG 4.31Å; Y82-L168 HydrophobicContact CD2-CD1 4.24Å; Y82-L168 HydrophobicContact CE2-CD1 3.46Å; Y82-L168 VanDerWaalsContact CE2-CD1 3.46Å
83A90.7Very high88.7Confident29 Ų2942.2 Ų42.224%0.2420%0.2CC..Hα-helixtrans-65.6-27.5176.800000113.7Y49 Y54 Q79 C80 Y81 S85Y49-A83 HydrophobicContact CE2-CB 4.31Å; Y54-A83 HydrophobicContact CD1-CB 3.95Å; Y54-A83 HydrophobicContact CD2-CB 4.06Å; Y54-A83 HydrophobicContact CE1-CB 3.72Å; Y54-A83 HydrophobicContact CE2-CB 3.82Å; Y54-A83 HydrophobicContact CG-CB 4.11Å; Q79-A83 PolarHBondContact O-N 2.94Å; C80-A83 PolarHBondContact O-N 2.94Å; Y81-A83 VanDerWaalsContact C-N 3.35Å; A83-S85 VanDerWaalsContact C-N 3.3Å
84C89.6Confident88.6Confident30 Ų3042.4 Ų42.420%0.20320%0.201CC..THydrogen-bonded Turntrans-80.5-0.3173-76.40000114.6Y54 H55 C80 Y81 Y82 E86Y54-C84 WeakPolarHBondContact CB-SG 3.41Å; H55-C84 PolarHBondContact NE2-SG 2.89Å; C80-C84 PolarHBondContact O-N 2.91Å; C80-C84 VanDerWaalsContact O-N 3.08Å; Y81-C84 PolarHBondContact O-N 2.94Å; Y82-C84 VanDerWaalsContact C-N 3.28Å; Y82-C84 PolarHBondContact O-N 2.88Å; C84-E86 HydrophobicContact CB-CG 4.23Å; C84-E86 PolarHBondContact O-N 3.14Å
85S87.7Confident88.2Confident64 Ų6443.7 Ų43.745%0.44821%0.21SC..THydrogen-bonded Turntrans62.621-171.7-47.60000114.7Y81 Y82 A83 Y87Y81-S85 PolarHBondContact O-N 3.38Å; Y82-S85 PolarHBondContact O-N 3.07Å; Y82-S85 VanDerWaalsContact O-N 3.07Å; A83-S85 VanDerWaalsContact C-N 3.3Å; S85-Y87 PolarHBondContact O-N 2.75Å
86E90.6Very high87.2Confident58 Ų5847 Ų4727%0.27123%0.227SC..  trans-96.167.3176.5-64.2-165.9150.600110.8Y81 C84 K88 K89 S90Y81-E86 HydrophobicContact CD1-CB 4.05Å; Y81-E86 VanDerWaalsContact CD1-OE2 3.26Å; Y81-E86 WeakPolarHBondContact CD1-OE2 3.46Å; Y81-E86 VanDerWaalsContact CE1-OE2 3.25Å; Y81-E86 WeakPolarHBondContact CE1-OE2 3.43Å; Y81-E86 PolarHBondContact O-N 3.39Å; C84-E86 HydrophobicContact CB-CG 4.23Å; C84-E86 PolarHBondContact O-N 3.14Å; E86-K88 PolarHBondContact O-N 2.95Å; E86-K89 PolarHBondContact O-N 3.45Å; E86-K89 IonicContact OE1-NZ 3.51Å; E86-K89 PolarHBondContact OE1-NZ 3.24Å; E86-K89 VanDerWaalsContact OE2-CD 3.31Å; E86-K89 WeakPolarHBondContact OE2-CD 3.37Å; E86-K89 WeakPolarHBondContact OE2-CE 3.47Å; E86-K89 IonicContact OE2-NZ 3.08Å; E86-K89 PolarHBondContact OE2-NZ 2.98Å; E86-S90 PolarHBondContact O-N 2.92Å
87Y89Confident85.5Confident51 Ų5147.7 Ų47.720%0.223%0.233CC..Hα-helixtrans-62.6-40.4-168.5-48.2-51.8000114.3Y82 S85 K89 S90 L91 L165 L168Y82-Y87 HydrophobicContact CD2-CD1 4.47Å; S85-Y87 PolarHBondContact O-N 2.75Å; Y87-K89 PolarHBondContact O-N 3.45Å; Y87-S90 WeakPolarHBondContact O-CB 3.3Å; Y87-S90 PolarHBondContact O-N 3.19Å; Y87-L91 PolarHBondContact O-N 3.11Å; Y87-L165 HydrophobicContact CD1-CD2 3.95Å; Y87-L165 HydrophobicContact CG-CD2 4.38Å; Y87-L168 HydrophobicContact CD1-CB 4.47Å; Y87-L168 HydrophobicContact CD1-CD1 3.83Å; Y87-L168 HydrophobicContact CD2-CB 4.28Å; Y87-L168 HydrophobicContact CE1-CB 4.45Å; Y87-L168 HydrophobicContact CE1-CD1 3.34Å; Y87-L168 HydrophobicContact CE1-CG 4.44Å; Y87-L168 HydrophobicContact CE2-CB 4.25Å; Y87-L168 HydrophobicContact CE2-CD1 4.41Å; Y87-L168 HydrophobicContact CG-CB 4.4Å
88K90Very high83.5Confident143 Ų14350.2 Ų50.262%0.62225%0.246SC*.Hα-helixtrans-60.6-46.1-179.9-68.4-177.7179.3-177.70112.2E86 S90 L91 E92 M169E86-K88 PolarHBondContact O-N 2.95Å; K88-S90 VanDerWaalsContact C-N 3.34Å; K88-S90 PolarHBondContact O-N 3.38Å; K88-L91 PolarHBondContact O-N 3.1Å; K88-E92 WeakPolarHBondContact O-CG 3.26Å; K88-E92 PolarHBondContact O-N 3.06Å; K88-M169 HydrophobicContact CD-CE 4.31Å; K88-M169 HydrophobicContact CG-CE 3.54Å; K88-M169 HydrophobicContact CG-SD 4.32Å
89K88.7Confident80.7Confident88 Ų8855 Ų5538%0.38328%0.279SS..Hα-helixtrans-66.4-38.8178.5-61.7-174.7-162.51600111.5Y81 E86 Y87 L91 E92 F93Y81-K89 HydrophobicContact CD1-CB 4.14Å; Y81-K89 HydrophobicContact CD1-CD 4.34Å; Y81-K89 HydrophobicContact CE1-CB 4.25Å; Y81-K89 HydrophobicContact CE1-CD 3.9Å; Y81-K89 HydrophobicContact CG-CB 4.29Å; E86-K89 PolarHBondContact O-N 3.45Å; E86-K89 IonicContact OE1-NZ 3.51Å; E86-K89 PolarHBondContact OE1-NZ 3.24Å; E86-K89 VanDerWaalsContact OE2-CD 3.31Å; E86-K89 WeakPolarHBondContact OE2-CD 3.37Å; E86-K89 WeakPolarHBondContact OE2-CE 3.47Å; E86-K89 IonicContact OE2-NZ 3.08Å; E86-K89 PolarHBondContact OE2-NZ 2.98Å; Y87-K89 PolarHBondContact O-N 3.45Å; K89-L91 VanDerWaalsContact C-N 3.28Å; K89-L91 PolarHBondContact O-N 3.11Å; K89-E92 PolarHBondContact O-N 3.43Å; K89-F93 WeakPolarHBondContact O-CD2 3.28Å; K89-F93 PolarHBondContact O-N 2.72Å; K89-F93 VanDerWaalsContact O-N 3.14Å
90S87.8Confident77.9Confident0 Ų060 Ų600%031%0.307CS..Hα-helixtrans-57.1-45.2175-170.50000111A78 E86 Y87 K88 F93 L94 L165A78-S90 WeakPolarHBondContact CA-OG 3.24Å; A78-S90 PolarHBondContact O-OG 3.45Å; E86-S90 PolarHBondContact O-N 2.92Å; Y87-S90 WeakPolarHBondContact O-CB 3.3Å; Y87-S90 PolarHBondContact O-N 3.19Å; K88-S90 VanDerWaalsContact C-N 3.34Å; K88-S90 PolarHBondContact O-N 3.38Å; S90-F93 PolarHBondContact O-N 3.29Å; S90-L94 WeakPolarHBondContact O-CG 3.48Å; S90-L94 PolarHBondContact O-N 3.04Å; S90-L165 WeakPolarHBondContact OG-CD1 3.49Å
91L87.2Confident75.1Confident26 Ų2662.3 Ų62.314%0.13632%0.323CS..Hα-helixtrans-64.9-46.4178-170.469.8000112.5Y87 K88 K89 F93 L94 E95 L165 Y166Y87-L91 PolarHBondContact O-N 3.11Å; K88-L91 PolarHBondContact O-N 3.1Å; K89-L91 VanDerWaalsContact C-N 3.28Å; K89-L91 PolarHBondContact O-N 3.11Å; L91-F93 PolarHBondContact O-N 3.36Å; L91-L94 PolarHBondContact O-N 3.42Å; L91-E95 HydrophobicContact CD1-CG 4.43Å; L91-E95 HydrophobicContact CG-CG 4.24Å; L91-E95 WeakPolarHBondContact CG-OE1 3.3Å; L91-E95 PolarHBondContact O-N 3.4Å; L91-L165 HydrophobicContact CB-CD1 4.5Å; L91-Y166 HydrophobicContact CD1-CE1 4.49Å; L91-Y166 HydrophobicContact CD1-CE2 3.85Å; L91-Y166 HydrophobicContact CD2-CE1 4.03Å
92E87.2Confident72.1Confident112 Ų11265.9 Ų65.952%0.52335%0.347SS..Hα-helixtrans-56.3-37.7177.5-72.7168.7-165.400112.6K88 K89 Q96K88-E92 WeakPolarHBondContact O-CG 3.26Å; K88-E92 PolarHBondContact O-N 3.06Å; K89-E92 PolarHBondContact O-N 3.43Å; E92-Q96 WeakPolarHBondContact O-CG 3.46Å; E92-Q96 PolarHBondContact O-N 3.43Å
93F81.4Confident69.2Low48 Ų4869.2 Ų69.221%0.21137%0.369CS..Hα-helixtrans-72.8-29176.8-90-75.1000113.4I77 Y81 K89 S90 L91I77-F93 HydrophobicContact CG2-CD1 4.24Å; I77-F93 HydrophobicContact CG2-CD2 4.21Å; I77-F93 HydrophobicContact CG2-CE2 4.49Å; I77-F93 HydrophobicContact CG2-CG 4.09Å; Y81-F93 HydrophobicContact CD2-CD2 4.02Å; Y81-F93 HydrophobicContact CD2-CE2 4.38Å; Y81-F93 AromaticContact CE2-CD2 3.55Å; Y81-F93 HydrophobicContact CE2-CD2 3.55Å; Y81-F93 AromaticContact CE2-CE2 3.47Å; Y81-F93 HydrophobicContact CE2-CE2 3.47Å; Y81-F93 VanDerWaalsContact CE2-CE2 3.47Å; Y81-F93 HydrophobicContact CE2-CZ 4.41Å; K89-F93 WeakPolarHBondContact O-CD2 3.28Å; K89-F93 PolarHBondContact O-N 2.72Å; K89-F93 VanDerWaalsContact O-N 3.14Å; S90-F93 PolarHBondContact O-N 3.29Å; L91-F93 PolarHBondContact O-N 3.36Å
94L81.6Confident66.4Low5 Ų575.3 Ų75.33%0.02639%0.39CS..Hα-helixtrans-78.2-40.4175-68.1176.5000111.6A78 S90 L91 Q96 S97 I158 L161 K162 L165A78-L94 HydrophobicContact CB-CD1 3.96Å; A78-L94 HydrophobicContact CB-CD2 3.52Å; A78-L94 HydrophobicContact CB-CG 3.57Å; S90-L94 WeakPolarHBondContact O-CG 3.48Å; S90-L94 PolarHBondContact O-N 3.04Å; L91-L94 PolarHBondContact O-N 3.42Å; L94-Q96 VanDerWaalsContact C-N 3.27Å; L94-Q96 PolarHBondContact O-N 3.05Å; L94-S97 PolarHBondContact O-N 2.94Å; L94-S97 PolarHBondContact O-OG 3.24Å; L94-I158 HydrophobicContact CD2-CG2 4.1Å; L94-L161 HydrophobicContact CD1-CD2 4.04Å; L94-L161 HydrophobicContact CD1-CG 4.2Å; L94-K162 HydrophobicContact CB-CG 4.45Å; L94-K162 HydrophobicContact CD1-CG 3.81Å; L94-L165 HydrophobicContact CD1-CD1 3.83Å
95E77.2Confident63.9Low83 Ų8376.3 Ų76.339%0.38839%0.394SS..Hα-helixtrans-68.5-22.9-178-72.117817400113.5L91 S97 D98 Y166L91-E95 HydrophobicContact CD1-CG 4.43Å; L91-E95 HydrophobicContact CG-CG 4.24Å; L91-E95 WeakPolarHBondContact CG-OE1 3.3Å; L91-E95 PolarHBondContact O-N 3.4Å; E95-S97 PolarHBondContact O-N 3.44Å; E95-D98 PolarHBondContact O-N 2.86Å; E95-Y166 PolarHBondContact OE1-OH 3.29Å
96Q67.3Low61.2Low108 Ų10876.4 Ų76.451%0.50539%0.394SS..THydrogen-bonded Turntrans-60.7-8.5173.5-75171.322.300113.9R74 E92 L94R74-Q96 PolarHBondContact NH1-O 3.3Å; E92-Q96 WeakPolarHBondContact O-CG 3.46Å; E92-Q96 PolarHBondContact O-N 3.43Å; L94-Q96 VanDerWaalsContact C-N 3.27Å; L94-Q96 PolarHBondContact O-N 3.05Å
97S51.9Low58.3Low27 Ų2778.3 Ų78.319%0.18941%0.406CS..THydrogen-bonded Turntrans-78.6-29.9169.5570000113.9L94 E95 C99L94-S97 PolarHBondContact O-N 2.94Å; L94-S97 PolarHBondContact O-OG 3.24Å; E95-S97 PolarHBondContact O-N 3.44Å; S97-C99 VanDerWaalsContact C-N 3.26Å; S97-C99 PolarHBondContact O-N 3.1Å
98D48.4Very low55.7Low56 Ų5678.4 Ų78.430%0.29941%0.412SS..THydrogen-bonded Turntrans-81.5-8.7-161.1-59.9-16.4000112.5E95 K162E95-D98 PolarHBondContact O-N 2.86Å; D98-K162 IonicContact OD1-NZ 3.63Å; D98-K162 PolarHBondContact OD1-NZ 2.95Å; D98-K162 IonicContact OD2-NZ 2.76Å; D98-K162 PolarHBondContact OD2-NZ 3.24Å
99C31.5Very low53.1Low100 Ų10076 Ų7668%0.67641%0.41SS*.THydrogen-bonded Turntrans-80.1-9.6178.9-59.60000114.8S97S97-C99 VanDerWaalsContact C-N 3.26Å; S97-C99 PolarHBondContact O-N 3.1Å
100N31.6Very low50.3Low152 Ų15275.5 Ų75.581%0.81342%0.417SS*.SBendtrans-118.13.1-176-70.8-4.6000114.5
101S33.1Very low47.6Very low48 Ų4882.4 Ų82.434%0.33645%0.453SS..  trans-126.345.918054.90000112.2D103 F104 N105S101-D103 PolarHBondContact O-N 3.46Å; S101-F104 PolarHBondContact O-N 3.29Å; S101-N105 PolarHBondContact O-N 3.47Å
102T31Very low45.2Very low96 Ų9685.4 Ų85.459%0.58947%0.472SS*.Hα-helixtrans-58.4-14178.247.90000114.3S106T102-S106 PolarHBondContact O-OG 3.23Å
103D30.5Very low42.6Very low130 Ų13084.1 Ų84.170%0.69548%0.481SS*.Hα-helixtrans-91-18.5-177.4-61.5-9.7000113.6S101 N107S101-D103 PolarHBondContact O-N 3.46Å; D103-N107 PolarHBondContact O-ND2 3.35Å
104F31.9Very low40Very low156 Ų15684.1 Ų84.168%0.68450%0.495SS*.Hα-helixtrans-99-37.9177-126-90000112S101 N107 V108S101-F104 PolarHBondContact O-N 3.29Å; F104-N107 PolarHBondContact O-N 3.18Å; F104-V108 HydrophobicContact CD1-CG2 4.44Å; F104-V108 PolarHBondContact O-N 3.41Å
105N35.6Very low37.4Very low52 Ų5289.2 Ų89.228%0.27853%0.531SS..Hα-helixtrans-71.6-31.3-179.9-75.4-14.1000112.5S101 N107 T109S101-N105 PolarHBondContact O-N 3.47Å; N105-N107 PolarHBondContact O-N 3.12Å; N105-T109 WeakPolarHBondContact O-CB 3.41Å; N105-T109 PolarHBondContact O-N 2.98Å; N105-T109 PolarHBondContact O-OG1 2.87Å
106S32.5Very low34.9Very low65 Ų6594.3 Ų94.346%0.45556%0.56SS.*Hα-helixtrans-65-28.2175.251.80000113.2T102 S110T102-S106 PolarHBondContact O-OG 3.23Å; S106-S110 WeakPolarHBondContact O-CB 3.39Å; S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 PolarHBondContact O-OG 3.05Å
107N29.1Very low32.9Very low98 Ų9894 Ų9452%0.52457%0.57SS.*Hα-helixtrans-85.4-41.2-179.5-68.3-30.2000112.4D103 F104 N105 S110 L111D103-N107 PolarHBondContact O-ND2 3.35Å; F104-N107 PolarHBondContact O-N 3.18Å; N105-N107 PolarHBondContact O-N 3.12Å; N107-S110 PolarHBondContact O-OG 2.95Å; N107-L111 WeakPolarHBondContact O-CB 3.47Å; N107-L111 VanDerWaalsContact O-CD1 3.25Å; N107-L111 WeakPolarHBondContact O-CD1 3.3Å; N107-L111 VanDerWaalsContact O-CG 3.24Å; N107-L111 WeakPolarHBondContact O-CG 3.35Å; N107-L111 PolarHBondContact O-N 3.1Å
108V35.1Very low31.6Very low53 Ų53102.1 Ų102.132%0.32160%0.602SS.*Hα-helixtrans-79.1-36.8-179.7-176.20000111.7F104 L111 V112F104-V108 HydrophobicContact CD1-CG2 4.44Å; F104-V108 PolarHBondContact O-N 3.41Å; V108-L111 PolarHBondContact O-N 3.12Å; V108-V112 WeakPolarHBondContact O-CG2 3.49Å; V108-V112 PolarHBondContact O-N 2.8Å
109T34.7Very low30.4Very low93 Ų93108 Ų10857%0.57163%0.627SS**Hα-helixtrans-75.2-23.4177.8-37.40000112.5N105 A113N105-T109 WeakPolarHBondContact O-CB 3.41Å; N105-T109 PolarHBondContact O-N 2.98Å; N105-T109 PolarHBondContact O-OG1 2.87Å; T109-A113 WeakPolarHBondContact O-CB 3.2Å; T109-A113 PolarHBondContact O-N 3.3Å
110S30.6Very low30.1Very low77 Ų77110.1 Ų110.154%0.53863%0.631SS.*Hα-helixtrans-82.2-30.8171.362.60000113.5S106 N107S106-S110 WeakPolarHBondContact O-CB 3.39Å; S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 PolarHBondContact O-OG 3.05Å; N107-S110 PolarHBondContact O-OG 2.95Å
111L30.8Very low29.7Very low146 Ų146108.1 Ų108.176%0.76463%0.628SS**Hα-helixtrans-69.7-31176-82.1163.4000113.2N107 V108N107-L111 WeakPolarHBondContact O-CB 3.47Å; N107-L111 VanDerWaalsContact O-CD1 3.25Å; N107-L111 WeakPolarHBondContact O-CD1 3.3Å; N107-L111 VanDerWaalsContact O-CG 3.24Å; N107-L111 WeakPolarHBondContact O-CG 3.35Å; N107-L111 PolarHBondContact O-N 3.1Å; V108-L111 PolarHBondContact O-N 3.12Å
112V35.1Very low29.3Very low88 Ų88113.3 Ų113.353%0.53365%0.65SS.*Hα-helixtrans-99.2-16.5-173.1-178.90000113V108V108-V112 WeakPolarHBondContact O-CG2 3.49Å; V108-V112 PolarHBondContact O-N 2.8Å
113A33.1Very low29.1Very low85 Ų85113.4 Ų113.470%0.70265%0.654SS**SBendtrans-90.25-175.100000116.1T109T109-A113 WeakPolarHBondContact O-CB 3.2Å; T109-A113 PolarHBondContact O-N 3.3Å
114G26.5Very low28.7Very low49 Ų49112.5 Ų112.551%0.50565%0.654SS.*SBendtrans117.7148.2162.100000116.2
115S28Very low28.5Very low112 Ų112112.2 Ų112.278%0.78366%0.659SS**  trans89.195.2178.975.30000116.4S117S115-S117 PolarHBondContact O-N 3.28Å; S115-S117 VanDerWaalsContact O-N 3.12Å
116L24.3Very low28Very low189 Ų189115.6 Ų115.699%0.9969%0.686SS**  trans-40.3111.6147.4-78.3139.9000110.6
117S24.9Very low27.9Very low103 Ų103117.3 Ų117.372%0.7270%0.695SS**  trans-147.2120.7146.852.70000110.6S115S115-S117 PolarHBondContact O-N 3.28Å; S115-S117 VanDerWaalsContact O-N 3.12Å
118K24.7Very low27.7Very low197 Ų197120 Ų12086%0.85771%0.71SS**  trans-45.4155164.1-69.5163.7171.1172.50110.5
119Q24.7Very low27.5Very low179 Ų179122.6 Ų122.684%0.83674%0.737SS**  trans99.1123.2175-57.4168.4-18.200110.8
120L25.1Very low27.3Very low145 Ų145124.3 Ų124.376%0.75975%0.747SS**  cis-155.3132.738.3-93.8104.1000111.5
121C21.5Very low27.1Very low110 Ų110127.2 Ų127.274%0.74376%0.756SS**  trans-72173.6140-62.40000109.1
122I26.1Very low26.9Very low157 Ų157127.8 Ų127.881%0.80576%0.76SS**  trans93.5122172.6-48.6154.4000110.7
123S25.6Very low26.4Very low97 Ų97131.7 Ų131.768%0.67878%0.778SS**  cis-169.9157.17.539.20000110
124T22.7Very low26.1Very low112 Ų112132.5 Ų132.569%0.68778%0.778SS**  trans-33.4157.8150.246.60000116.2
125D26.8Very low26.1Very low149 Ų149136.5 Ų136.580%0.79779%0.793SS**  trans99.4115.8165.2-50.5-23.4000113.3
126C26.6Very low26.1Very low124 Ų124141 Ų14184%0.83880%0.799SS**  cis-173.3173.449.3-105.50000111.2
127P30.3Very low26.1Very low100 Ų100140.8 Ų140.865%0.64979%0.793SS**  trans-117.8178.5-139.243-34.2000116.6
128N24.7Very low26.2Very low156 Ų156141.1 Ų141.183%0.83480%0.795SS**  trans61.293.4153.8-65.4-14.2000118.8
129A30.6Very low26.7Very low106 Ų106137.2 Ų137.288%0.87678%0.783SS**  trans-122.3105.1148.900000109.4
130V30.9Very low27.1Very low129 Ų129133.8 Ų133.878%0.78278%0.775SS**  trans-29.2129.1165.7177.80000114.7
131N25.3Very low27.9Very low138 Ų138130 Ų13074%0.73876%0.757SS**  trans15.5111.8144.4-56.8-15000117.9
132D27.5Very low28.9Very low159 Ų159126.6 Ų126.685%0.8574%0.735SS**  trans-140.3101.7140.2-97.9-25.3000109.2S134D132-S134 PolarHBondContact O-N 3.06Å
133D25.2Very low29.7Very low169 Ų169124.7 Ų124.790%0.90473%0.727SS**  trans-73.389171.7-87.8-38.1000109.8
134S26.3Very low30.8Very low102 Ų102122.8 Ų122.871%0.71371%0.714SS**  trans-165.840.6163.767.10000116.6D132D132-S134 PolarHBondContact O-N 3.06Å
135T27.2Very low32.3Very low133 Ų133118.4 Ų118.482%0.81669%0.686SS**  trans-155.661.4171.945.40000113.6
136K26.4Very low33.8Very low207 Ų207113.3 Ų113.390%0.966%0.658SS**  trans-137.473.9169-74.1-176.2-179.5173.40111.4
137Q25.4Very low34.8Very low185 Ų185112.8 Ų112.886%0.86466%0.656SS**  trans-136.65.9173.2-84.3-173.8-7.200114.9
138S27.7Very low36.1Very low110 Ų110111 Ų11177%0.76966%0.656SS**SBendtrans-99.1-4.7-169.560.20000117.7
139N33.3Very low38.1Very low114 Ų114110.5 Ų110.561%0.6165%0.646SS**SBendtrans-121.512-170.3-72.26.8000116.2V141 S142N139-V141 PolarHBondContact O-N 3.45Å; N139-S142 PolarHBondContact O-OG 3.39Å
140T34.5Very low40.2Very low108 Ų108107.7 Ų107.766%0.66362%0.62SS**Hα-helixtrans-77-20.6-174.253.60000114.9
141V42Very low42.5Very low64 Ų64105.3 Ų105.339%0.38861%0.606SS.*Hα-helixtrans-85.4-26.7-175.8-176.70000112.3N139 S144N139-V141 PolarHBondContact O-N 3.45Å; V141-S144 PolarHBondContact O-OG 3.28Å; V141-S144 VanDerWaalsContact O-OG 3.1Å
142S41.4Very low45.1Very low40 Ų40102.4 Ų102.428%0.2859%0.588SS.*Hα-helixtrans-65.1-44.2174.244.60000110.7N139 S144 L145 I146N139-S142 PolarHBondContact O-OG 3.39Å; S142-S144 VanDerWaalsContact C-N 3.34Å; S142-S144 PolarHBondContact O-N 3.16Å; S142-L145 PolarHBondContact O-N 3.05Å; S142-I146 WeakPolarHBondContact O-CD1 3.47Å; S142-I146 WeakPolarHBondContact O-CG1 3.41Å
143D42.8Very low47.8Very low116 Ų11698.4 Ų98.462%0.6256%0.564SS**Hα-helixtrans-67.2-32.2-173.4-69.3-3.2000113.1L145 I146D143-L145 VanDerWaalsContact C-N 3.33Å; D143-L145 PolarHBondContact O-N 3.43Å; D143-I146 PolarHBondContact O-N 3.03Å
144S48.8Very low50.7Low58 Ų5891.4 Ų91.441%0.40653%0.527SS..Hα-helixtrans-71.2-25.7177.454.80000113.9V141 S142V141-S144 PolarHBondContact O-OG 3.28Å; V141-S144 VanDerWaalsContact O-OG 3.1Å; S142-S144 VanDerWaalsContact C-N 3.34Å; S142-S144 PolarHBondContact O-N 3.16Å
145L55Low53.7Low20 Ų2090.7 Ų90.711%0.10551%0.512CS..Hα-helixtrans-86.3-11.4-179.3-67.3169.8000112.8E39 S142 D143 S147E39-L145 HydrophobicContact CG-CD2 3.82Å; S142-L145 PolarHBondContact O-N 3.05Å; D143-L145 VanDerWaalsContact C-N 3.33Å; D143-L145 PolarHBondContact O-N 3.43Å; L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 3.24Å
146I57.6Low56.6Low42 Ų4284.5 Ų84.522%0.21547%0.474CS..  trans-91.523.3-175.1-61161.7000111.2V72 S142 D143 G148 F149 T151V72-I146 HydrophobicContact CG2-CG1 4.4Å; S142-I146 WeakPolarHBondContact O-CD1 3.47Å; S142-I146 WeakPolarHBondContact O-CG1 3.41Å; D143-I146 PolarHBondContact O-N 3.03Å; I146-G148 VanDerWaalsContact C-N 3.32Å; I146-G148 PolarHBondContact O-N 2.87Å; I146-F149 WeakPolarHBondContact CG2-O 3.44Å; I146-T151 HydrophobicContact CD1-CG2 4.3Å
147S47.5Very low59.7Low113 Ų11375.9 Ų75.979%0.7944%0.44SS*.THydrogen-bonded Turntrans-70.784.9176.3690000111.3L145L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 3.24Å
148G59.2Low62.8Low63 Ų6367.7 Ų67.765%0.64940%0.402SS*.THydrogen-bonded Turntrans145.2-13.6169.400000117I146I146-G148 VanDerWaalsContact C-N 3.32Å; I146-G148 PolarHBondContact O-N 2.87Å
149F66.2Low65.9Low145 Ų14562.6 Ų62.664%0.63637%0.366SS*.SBendtrans-135.5150.6-176.4-46.6-75000110.6I146I146-F149 WeakPolarHBondContact CG2-O 3.44Å
150S75.1Confident68.7Low46 Ų4657.7 Ų57.732%0.32234%0.34SS..  trans-74.615617170.30000110.6E152 Q153 L154S150-E152 PolarHBondContact O-N 3.4Å; S150-Q153 VanDerWaalsContact N-OE1 3.1Å; S150-Q153 PolarHBondContact O-N 2.91Å; S150-Q153 VanDerWaalsContact OG-CG 3.27Å; S150-Q153 WeakPolarHBondContact OG-CG 3.49Å; S150-Q153 PolarHBondContact OG-N 3.34Å; S150-Q153 VanDerWaalsContact OG-N 3.11Å; S150-L154 PolarHBondContact O-N 2.92Å
151T78Confident71.5Confident79 Ų7952.8 Ų52.849%0.48531%0.31SS..Hα-helixtrans-58.2-35.917246.40000110.7I146 L154 H155I146-T151 HydrophobicContact CD1-CG2 4.3Å; T151-L154 PolarHBondContact O-N 3.16Å; T151-H155 PolarHBondContact O-N 3.35Å; T151-H155 PolarHBondContact O-ND1 3.28Å
152E80.7Confident73.9Confident78 Ų7850.4 Ų50.436%0.36429%0.294SS..Hα-helixtrans-62.5-45177.2-65.8167.2174.300112.2S150 L154 H155 S156 H219S150-E152 PolarHBondContact O-N 3.4Å; E152-L154 VanDerWaalsContact C-N 3.28Å; E152-L154 PolarHBondContact O-N 3.24Å; E152-H155 PolarHBondContact O-N 3.07Å; E152-H155 VanDerWaalsContact O-N 3.17Å; E152-S156 PolarHBondContact O-N 2.9Å; E152-H219 IonicContact OE1-CE1 3.67Å; E152-H219 PolarHBondContact OE1-CE1 2.94Å; E152-H219 IonicContact OE2-CE1 3.56Å; E152-H219 PolarHBondContact OE2-CE1 3.46Å; E152-H219 IonicContact OE2-ND1 3.81Å; E152-H219 PolarHBondContact OE2-ND1 3.44Å
153Q83.8Confident76.2Confident75 Ų7548.5 Ų48.535%0.3528%0.281SS..Hα-helixtrans-61.9-34.7175.3-75.6172-15.300112.7S150 S156 S157S150-Q153 VanDerWaalsContact N-OE1 3.1Å; S150-Q153 PolarHBondContact O-N 2.91Å; S150-Q153 VanDerWaalsContact OG-CG 3.27Å; S150-Q153 WeakPolarHBondContact OG-CG 3.49Å; S150-Q153 PolarHBondContact OG-N 3.34Å; S150-Q153 VanDerWaalsContact OG-N 3.11Å; Q153-S156 WeakPolarHBondContact CA-OG 3.25Å; Q153-S156 PolarHBondContact O-OG 3.16Å; Q153-S157 WeakPolarHBondContact O-CB 3.4Å; Q153-S157 PolarHBondContact O-N 3.05Å; Q153-S157 PolarHBondContact O-OG 2.91Å
154L85.9Confident78.5Confident22 Ų2244.4 Ų44.412%0.11526%0.258CS..Hα-helixtrans-69.1-43.8175.3-176.562000110.8L71 V72 Y75 S150 T151 E152 S157 I158L71-L154 HydrophobicContact CB-CD2 4.26Å; L71-L154 HydrophobicContact CD2-CD2 3.63Å; L71-L154 HydrophobicContact CD2-CG 4.07Å; L71-L154 HydrophobicContact CG-CD2 4.02Å; V72-L154 HydrophobicContact CG2-CD2 3.63Å; Y75-L154 HydrophobicContact CD1-CD1 4.02Å; Y75-L154 HydrophobicContact CG-CD1 4.31Å; S150-L154 PolarHBondContact O-N 2.92Å; T151-L154 PolarHBondContact O-N 3.16Å; E152-L154 VanDerWaalsContact C-N 3.28Å; E152-L154 PolarHBondContact O-N 3.24Å; L154-S157 PolarHBondContact O-N 2.9Å; L154-S157 PolarHBondContact O-OG 3.38Å; L154-I158 HydrophobicContact CG-CD1 4.17Å; L154-I158 VanDerWaalsContact O-CG1 3.31Å; L154-I158 WeakPolarHBondContact O-CG1 3.48Å; L154-I158 PolarHBondContact O-N 3.3Å
155H88.5Confident80.6Confident87 Ų8741.8 Ų41.840%0.40324%0.239SC..Hα-helixtrans-65.1-39.7176.5-70.187.7000112T151 E152 S157 I158 A159 L185T151-H155 PolarHBondContact O-N 3.35Å; T151-H155 PolarHBondContact O-ND1 3.28Å; E152-H155 PolarHBondContact O-N 3.07Å; E152-H155 VanDerWaalsContact O-N 3.17Å; H155-S157 VanDerWaalsContact C-N 3.32Å; H155-S157 PolarHBondContact O-N 2.98Å; H155-I158 PolarHBondContact O-N 3.46Å; H155-A159 WeakPolarHBondContact O-CB 3.45Å; H155-A159 PolarHBondContact O-N 3.08Å; H155-L185 HydrophobicContact CB-CD1 3.89Å
156S89.7Confident82.3Confident3 Ų342.2 Ų42.22%0.02124%0.239CC..Hα-helixtrans-61-42.1174.871.20000111.4E152 Q153 I158 A159 L160 A182 D186E152-S156 PolarHBondContact O-N 2.9Å; Q153-S156 WeakPolarHBondContact CA-OG 3.25Å; Q153-S156 PolarHBondContact O-OG 3.16Å; S156-I158 PolarHBondContact O-N 3.37Å; S156-A159 PolarHBondContact O-N 2.94Å; S156-L160 WeakPolarHBondContact O-CB 3.36Å; S156-L160 PolarHBondContact O-N 3.44Å; S156-A182 WeakPolarHBondContact CB-O 3.45Å; S156-A182 WeakPolarHBondContact O-CB 3.48Å; S156-D186 WeakPolarHBondContact OG-CB 3Å
157S90.2Very high83.7Confident25 Ų2541 Ų4118%0.17523%0.233CC..Hα-helixtrans-66.7-34.7176.878.30000113.3Y75 Q153 L154 H155 L161Y75-S157 WeakPolarHBondContact CE2-O 3.28Å; Y75-S157 WeakPolarHBondContact OH-CB 3.18Å; Q153-S157 WeakPolarHBondContact O-CB 3.4Å; Q153-S157 PolarHBondContact O-N 3.05Å; Q153-S157 PolarHBondContact O-OG 2.91Å; L154-S157 PolarHBondContact O-N 2.9Å; L154-S157 PolarHBondContact O-OG 3.38Å; H155-S157 VanDerWaalsContact C-N 3.32Å; H155-S157 PolarHBondContact O-N 2.98Å; S157-L161 PolarHBondContact O-N 3.44Å
158I91.5Very high85.5Confident13 Ų1337.3 Ų37.37%0.06720%0.204CC..Hα-helixtrans-67.4-46.2173.6-70.4163.8000110.4L71 Y75 L94 L154 H155 S156 L160 L161 K162L71-I158 HydrophobicContact CD1-CD1 3.8Å; L71-I158 HydrophobicContact CD2-CD1 3.91Å; L71-I158 HydrophobicContact CG-CD1 3.7Å; Y75-I158 HydrophobicContact CD2-CB 4.46Å; Y75-I158 HydrophobicContact CD2-CG1 3.58Å; Y75-I158 HydrophobicContact CE2-CG1 4.34Å; Y75-I158 HydrophobicContact CG-CG1 4Å; L94-I158 HydrophobicContact CD2-CG2 4.1Å; L154-I158 HydrophobicContact CG-CD1 4.17Å; L154-I158 VanDerWaalsContact O-CG1 3.31Å; L154-I158 WeakPolarHBondContact O-CG1 3.48Å; L154-I158 PolarHBondContact O-N 3.3Å; H155-I158 PolarHBondContact O-N 3.46Å; S156-I158 PolarHBondContact O-N 3.37Å; I158-L160 VanDerWaalsContact C-N 3.34Å; I158-L160 PolarHBondContact O-N 3.35Å; I158-L161 PolarHBondContact O-N 3.35Å; I158-K162 PolarHBondContact O-N 3.49Å
159A91.7Very high86.8Confident4 Ų438.2 Ų38.23%0.03319%0.192CC..Hα-helixtrans-60.6-43.5176.600000111.1H155 S156 L161 K162 G163 E181 A182H155-A159 WeakPolarHBondContact O-CB 3.45Å; H155-A159 PolarHBondContact O-N 3.08Å; S156-A159 PolarHBondContact O-N 2.94Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 2.98Å; A159-K162 WeakPolarHBondContact O-CB 3.45Å; A159-K162 PolarHBondContact O-N 3.4Å; A159-G163 PolarHBondContact O-N 2.89Å; A159-E181 HydrophobicContact CB-CG 4.47Å; A159-A182 HydrophobicContact CB-CB 3.91Å
160L92.8Very high87.6Confident10 Ų1037.8 Ų37.85%0.05219%0.192CC..Hα-helixtrans-59.4-42.7173.9174.7152.4000112.2S156 I158 G163 K164 A182 C189 E191 A192S156-L160 WeakPolarHBondContact O-CB 3.36Å; S156-L160 PolarHBondContact O-N 3.44Å; I158-L160 VanDerWaalsContact C-N 3.34Å; I158-L160 PolarHBondContact O-N 3.35Å; L160-G163 PolarHBondContact O-N 3.47Å; L160-K164 HydrophobicContact CD2-CD 3.87Å; L160-K164 HydrophobicContact CD2-CG 4.46Å; L160-K164 WeakPolarHBondContact O-CG 3.4Å; L160-K164 PolarHBondContact O-N 3.13Å; L160-A182 HydrophobicContact CB-CB 4.18Å; L160-C189 WeakPolarHBondContact CD1-SG 3.44Å; L160-E191 HydrophobicContact CD1-CB 3.85Å; L160-E191 HydrophobicContact CD1-CG 3.99Å; L160-A192 HydrophobicContact CD1-CB 4.15Å
161L92.5Very high88.1Confident6 Ų638.4 Ų38.43%0.03119%0.192CC..Hα-helixtrans-66.1-41.7176.6-175.863.4000111.8Y75 A78 Q79 Y82 L94 S157 I158 A159 G163 K164 L165Y75-L161 HydrophobicContact CD2-CD2 4.02Å; Y75-L161 HydrophobicContact CE2-CB 4.14Å; Y75-L161 HydrophobicContact CE2-CD2 3.92Å; A78-L161 HydrophobicContact CB-CD2 3.7Å; Q79-L161 HydrophobicContact CG-CD2 3.98Å; Y82-L161 HydrophobicContact CD1-CD1 4.39Å; Y82-L161 HydrophobicContact CD2-CD1 3.95Å; Y82-L161 HydrophobicContact CG-CD1 3.89Å; L94-L161 HydrophobicContact CD1-CD2 4.04Å; L94-L161 HydrophobicContact CD1-CG 4.2Å; S157-L161 PolarHBondContact O-N 3.44Å; I158-L161 PolarHBondContact O-N 3.35Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 2.98Å; L161-G163 VanDerWaalsContact C-N 3.3Å; L161-G163 PolarHBondContact O-N 3.49Å; L161-K164 PolarHBondContact O-N 3.3Å; L161-L165 HydrophobicContact CG-CD1 4.35Å; L161-L165 VanDerWaalsContact O-CG 3.3Å; L161-L165 WeakPolarHBondContact O-CG 3.23Å; L161-L165 PolarHBondContact O-N 3.26Å
162K92.3Very high88.2Confident14 Ų1437.7 Ų37.76%0.06118%0.18CC..Hα-helixtrans-57.2-45.8171.6-72.7-174.4179-178.40110.1L94 D98 I158 A159 K164 L165 Y166 F178L94-K162 HydrophobicContact CB-CG 4.45Å; L94-K162 HydrophobicContact CD1-CG 3.81Å; D98-K162 IonicContact OD1-NZ 3.63Å; D98-K162 PolarHBondContact OD1-NZ 2.95Å; D98-K162 IonicContact OD2-NZ 2.76Å; D98-K162 PolarHBondContact OD2-NZ 3.24Å; I158-K162 PolarHBondContact O-N 3.49Å; A159-K162 WeakPolarHBondContact O-CB 3.45Å; A159-K162 PolarHBondContact O-N 3.4Å; K162-K164 PolarHBondContact O-N 2.92Å; K162-L165 PolarHBondContact O-N 3.28Å; K162-Y166 HydrophobicContact CB-CE2 4.46Å; K162-Y166 WeakPolarHBondContact O-CD2 3.47Å; K162-Y166 PolarHBondContact O-N 2.86Å; K162-F178 HydrophobicContact CB-CB 4.38Å; K162-F178 HydrophobicContact CB-CD1 3.97Å; K162-F178 HydrophobicContact CB-CD2 4.24Å; K162-F178 HydrophobicContact CB-CE1 4.34Å; K162-F178 HydrophobicContact CB-CG 3.92Å; K162-F178 HydrophobicContact CD-CD1 4.03Å; K162-F178 HydrophobicContact CD-CE1 3.69Å; K162-F178 HydrophobicContact CD-CZ 4.17Å
163G91Very high88.4Confident0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-54-50.317500000112.7A159 L160 L161 L165 Y166 E167 A175 Y179A159-G163 PolarHBondContact O-N 2.89Å; L160-G163 PolarHBondContact O-N 3.47Å; L161-G163 VanDerWaalsContact C-N 3.3Å; L161-G163 PolarHBondContact O-N 3.49Å; G163-L165 VanDerWaalsContact C-N 3.34Å; G163-L165 PolarHBondContact O-N 3Å; G163-Y166 PolarHBondContact O-N 2.92Å; G163-E167 VanDerWaalsContact O-CB 3.29Å; G163-E167 WeakPolarHBondContact O-CB 3.39Å; G163-E167 PolarHBondContact O-N 3.39Å; G163-A175 WeakPolarHBondContact O-CB 3.41Å; G163-Y179 VanDerWaalsContact C-OH 3.28Å; G163-Y179 PolarHBondContact O-OH 3.01Å
164K90.9Very high88.6Confident30 Ų3036 Ų3613%0.1318%0.181CC..Hα-helixtrans-61.2-39.4176.9-71.9176.9178.4174.60113Y82 L160 L161 K162 L168 Y179 E191Y82-K164 HydrophobicContact CE2-CB 3.89Å; L160-K164 HydrophobicContact CD2-CD 3.87Å; L160-K164 HydrophobicContact CD2-CG 4.46Å; L160-K164 WeakPolarHBondContact O-CG 3.4Å; L160-K164 PolarHBondContact O-N 3.13Å; L161-K164 PolarHBondContact O-N 3.3Å; K162-K164 PolarHBondContact O-N 2.92Å; K164-L168 WeakPolarHBondContact O-CG 3.28Å; K164-L168 PolarHBondContact O-N 3.32Å; K164-Y179 VanDerWaalsContact CA-OH 3.23Å; K164-Y179 WeakPolarHBondContact CA-OH 3.29Å; K164-Y179 HydrophobicContact CG-CE1 4.31Å; K164-Y179 WeakPolarHBondContact CG-OH 3.49Å; K164-Y179 PolarHBondContact N-OH 3.36Å; K164-Y179 VanDerWaalsContact N-OH 3.15Å; K164-E191 WeakPolarHBondContact CE-OE1 3.44Å; K164-E191 IonicContact NZ-OE1 3.6Å; K164-E191 PolarHBondContact NZ-OE1 3.26Å; K164-E191 IonicContact NZ-OE2 3.49Å; K164-E191 PolarHBondContact NZ-OE2 3.03Å
165L91.8Very high88.7Confident2 Ų235 Ų351%0.0118%0.176CC..Hα-helixtrans-66.3-48.7178-72.1167.2000111.4Y82 Y87 S90 L91 L94 L161 K162 G163 E167 L168 M169Y82-L165 HydrophobicContact CD2-CD2 3.79Å; Y82-L165 HydrophobicContact CD2-CG 4.31Å; Y87-L165 HydrophobicContact CD1-CD2 3.95Å; Y87-L165 HydrophobicContact CG-CD2 4.38Å; S90-L165 WeakPolarHBondContact OG-CD1 3.49Å; L91-L165 HydrophobicContact CB-CD1 4.5Å; L94-L165 HydrophobicContact CD1-CD1 3.83Å; L161-L165 HydrophobicContact CG-CD1 4.35Å; L161-L165 VanDerWaalsContact O-CG 3.3Å; L161-L165 WeakPolarHBondContact O-CG 3.23Å; L161-L165 PolarHBondContact O-N 3.26Å; K162-L165 PolarHBondContact O-N 3.28Å; G163-L165 VanDerWaalsContact C-N 3.34Å; G163-L165 PolarHBondContact O-N 3Å; L165-E167 VanDerWaalsContact C-N 3.27Å; L165-E167 PolarHBondContact O-N 3.2Å; L165-L168 PolarHBondContact O-N 3.09Å; L165-L168 VanDerWaalsContact O-N 3.15Å; L165-M169 WeakPolarHBondContact O-CB 3.3Å; L165-M169 WeakPolarHBondContact O-CG 3.42Å; L165-M169 PolarHBondContact O-N 3.48Å
166Y90.5Very high88.5Confident30 Ų3032.3 Ų32.312%0.11816%0.164CC..Hα-helixtrans-64.2-35.2177.1-77.1-64.3000112.2L91 E95 K162 G163 M169 E170 N171 L174 F178L91-Y166 HydrophobicContact CD1-CE1 4.49Å; L91-Y166 HydrophobicContact CD1-CE2 3.85Å; L91-Y166 HydrophobicContact CD2-CE1 4.03Å; E95-Y166 PolarHBondContact OE1-OH 3.29Å; K162-Y166 HydrophobicContact CB-CE2 4.46Å; K162-Y166 WeakPolarHBondContact O-CD2 3.47Å; K162-Y166 PolarHBondContact O-N 2.86Å; G163-Y166 PolarHBondContact O-N 2.92Å; Y166-M169 CarbonylContact O-C 3.52Å; Y166-M169 PolarHBondContact O-N 2.91Å; Y166-E170 PolarHBondContact O-N 2.97Å; Y166-N171 HydrophobicContact CD1-CB 4.15Å; Y166-N171 CarbonylContact O-C 3.35Å; Y166-N171 PolarHBondContact O-N 3.36Å; Y166-L174 HydrophobicContact CD1-CB 4.08Å; Y166-L174 HydrophobicContact CD1-CD1 3.95Å; Y166-L174 HydrophobicContact CD2-CB 4.18Å; Y166-L174 HydrophobicContact CE1-CB 4.43Å; Y166-L174 HydrophobicContact CE1-CD1 3.61Å; Y166-L174 HydrophobicContact CG-CB 3.94Å; Y166-F178 AromaticContact CD2-CD2 3.42Å; Y166-F178 HydrophobicContact CD2-CD2 3.42Å; Y166-F178 VanDerWaalsContact CD2-CD2 3.42Å; Y166-F178 AromaticContact CD2-CE2 3.46Å; Y166-F178 HydrophobicContact CD2-CE2 3.46Å; Y166-F178 VanDerWaalsContact CD2-CE2 3.46Å; Y166-F178 AromaticContact CE2-CD2 3.56Å; Y166-F178 HydrophobicContact CE2-CD2 3.56Å; Y166-F178 AromaticContact CE2-CE2 3.07Å; Y166-F178 HydrophobicContact CE2-CE2 3.07Å; Y166-F178 AromaticContact CE2-CZ 3.86Å; Y166-F178 HydrophobicContact CE2-CZ 3.86Å; Y166-F178 AromaticContact CZ-CE2 3.96Å
167E87.1Confident88.4Confident16 Ų1636.9 Ų36.98%0.07519%0.185CC..Hα-helixtrans-58.2-50.1170.9159.5171.6-171.700110.8G163 L165 M169 E170 A175 Y179 F199 R357G163-E167 VanDerWaalsContact O-CB 3.29Å; G163-E167 WeakPolarHBondContact O-CB 3.39Å; G163-E167 PolarHBondContact O-N 3.39Å; L165-E167 VanDerWaalsContact C-N 3.27Å; L165-E167 PolarHBondContact O-N 3.2Å; E167-M169 VanDerWaalsContact C-N 3.3Å; E167-M169 PolarHBondContact O-N 3.21Å; E167-E170 PolarHBondContact O-N 2.92Å; E167-E170 VanDerWaalsContact O-N 3.14Å; E167-A175 HydrophobicContact CB-CB 4.07Å; E167-Y179 PolarHBondContact OE2-OH 2.64Å; E167-F199 HydrophobicContact CB-CZ 3.93Å; E167-F199 HydrophobicContact CG-CE2 4.45Å; E167-F199 HydrophobicContact CG-CZ 3.65Å; E167-F199 WeakPolarHBondContact OE2-CE2 3.36Å; E167-F199 WeakPolarHBondContact OE2-CZ 3.11Å; E167-R357 PolarHBondContact O-NH2 3Å; E167-R357 IonicContact OE1-CZ 2.8Å; E167-R357 IonicContact OE1-NH1 2.95Å; E167-R357 PolarHBondContact OE1-NH1 3.12Å
168L86.4Confident88.4Confident36 Ų3637.2 Ų37.219%0.18818%0.183CC..Hα-helixtrans-64.7-30.1176.8-69.8171.7000113.6Y82 Y87 K164 L165 E170Y82-L168 HydrophobicContact CD2-CD1 4.24Å; Y82-L168 HydrophobicContact CE2-CD1 3.46Å; Y82-L168 VanDerWaalsContact CE2-CD1 3.46Å; Y87-L168 HydrophobicContact CD1-CB 4.47Å; Y87-L168 HydrophobicContact CD1-CD1 3.83Å; Y87-L168 HydrophobicContact CD2-CB 4.28Å; Y87-L168 HydrophobicContact CE1-CB 4.45Å; Y87-L168 HydrophobicContact CE1-CD1 3.34Å; Y87-L168 HydrophobicContact CE1-CG 4.44Å; Y87-L168 HydrophobicContact CE2-CB 4.25Å; Y87-L168 HydrophobicContact CE2-CD1 4.41Å; Y87-L168 HydrophobicContact CG-CB 4.4Å; K164-L168 WeakPolarHBondContact O-CG 3.28Å; K164-L168 PolarHBondContact O-N 3.32Å; L165-L168 PolarHBondContact O-N 3.09Å; L165-L168 VanDerWaalsContact O-N 3.15Å; L168-E170 PolarHBondContact O-N 3.34Å
169M85.8Confident88.4Confident81 Ų8136.6 Ų36.640%0.39918%0.18SC..THydrogen-bonded Turntrans-82.810.8175.1-63.5-73.1-81.700113.3K88 L165 Y166 E167 N171K88-M169 HydrophobicContact CD-CE 4.31Å; K88-M169 HydrophobicContact CG-CE 3.54Å; K88-M169 HydrophobicContact CG-SD 4.32Å; L165-M169 WeakPolarHBondContact O-CB 3.3Å; L165-M169 WeakPolarHBondContact O-CG 3.42Å; L165-M169 PolarHBondContact O-N 3.48Å; Y166-M169 CarbonylContact O-C 3.52Å; Y166-M169 PolarHBondContact O-N 2.91Å; E167-M169 VanDerWaalsContact C-N 3.3Å; E167-M169 PolarHBondContact O-N 3.21Å; M169-N171 PolarHBondContact O-N 2.84Å; M169-N171 VanDerWaalsContact O-N 3.13Å
170E82.9Confident88.2Confident136 Ų13639 Ų3964%0.63619%0.19SC*.THydrogen-bonded Turntrans62.212.2-179.5-54.7-170.5150.200115Y166 E167 L168 R172 R356Y166-E170 PolarHBondContact O-N 2.97Å; E167-E170 PolarHBondContact O-N 2.92Å; E167-E170 VanDerWaalsContact O-N 3.14Å; L168-E170 PolarHBondContact O-N 3.34Å; E170-R172 PolarHBondContact O-N 3.1Å; E170-R356 IonicContact OE1-NH1 2.82Å
171N85.9Confident87.9Confident59 Ų5941.5 Ų41.532%0.31620%0.201SC..  trans-93.180.9175.7-165.9-14.5000111.4Y166 M169 S173 L174 A175Y166-N171 HydrophobicContact CD1-CB 4.15Å; Y166-N171 CarbonylContact O-C 3.35Å; Y166-N171 PolarHBondContact O-N 3.36Å; M169-N171 PolarHBondContact O-N 2.84Å; M169-N171 VanDerWaalsContact O-N 3.13Å; N171-S173 PolarHBondContact O-N 3.36Å; N171-S173 PolarHBondContact OD1-OG 3.11Å; N171-S173 VanDerWaalsContact OD1-OG 3.11Å; N171-L174 WeakPolarHBondContact ND2-CD1 3.35Å; N171-A175 WeakPolarHBondContact O-CB 3.44Å; N171-A175 PolarHBondContact O-N 2.83Å
172R79.4Confident87.8Confident64 Ų6441.2 Ų41.224%0.24220%0.2CC..Hα-helixtrans-69.2-32.5-173-59.5-175.6-172.6169.22.5114.1E170 A175 M176 F199 Q387E170-R172 PolarHBondContact O-N 3.1Å; R172-A175 PolarHBondContact O-N 3.13Å; R172-M176 VanDerWaalsContact O-CG 3.3Å; R172-M176 WeakPolarHBondContact O-CG 3.35Å; R172-M176 PolarHBondContact O-N 3.19Å; R172-F199 HydrophobicContact CG-CE1 4.21Å; R172-Q387 PolarHBondContact NH1-O 3.35Å
173S84.9Confident87.6Confident66 Ų6640.9 Ų40.946%0.46220%0.199SC..Hα-helixtrans-63.9-47.9-178.647.90000111.7N171 M176 Q177N171-S173 PolarHBondContact O-N 3.36Å; N171-S173 PolarHBondContact OD1-OG 3.11Å; N171-S173 VanDerWaalsContact OD1-OG 3.11Å; S173-M176 PolarHBondContact O-N 3.04Å; S173-Q177 WeakPolarHBondContact O-CG 3.36Å; S173-Q177 PolarHBondContact O-N 3.12Å
174L88Confident87.3Confident53 Ų5344.8 Ų44.828%0.27722%0.219SC..Hα-helixtrans-65.7-42.3174.6-65.7-174.7000111.2Y166 N171 M176 Q177 F178Y166-L174 HydrophobicContact CD1-CB 4.08Å; Y166-L174 HydrophobicContact CD1-CD1 3.95Å; Y166-L174 HydrophobicContact CD2-CB 4.18Å; Y166-L174 HydrophobicContact CE1-CB 4.43Å; Y166-L174 HydrophobicContact CE1-CD1 3.61Å; Y166-L174 HydrophobicContact CG-CB 3.94Å; N171-L174 WeakPolarHBondContact ND2-CD1 3.35Å; L174-M176 VanDerWaalsContact C-N 3.29Å; L174-M176 PolarHBondContact O-N 3.02Å; L174-Q177 WeakPolarHBondContact O-CB 3.32Å; L174-Q177 PolarHBondContact O-N 3.26Å; L174-F178 HydrophobicContact CB-CD2 4.38Å; L174-F178 HydrophobicContact CB-CE2 4.22Å; L174-F178 WeakPolarHBondContact O-CD2 3.39Å; L174-F178 PolarHBondContact O-N 3.48Å
175A88.3Confident87Confident0 Ų046.1 Ų46.10%023%0.227CC..Hα-helixtrans-54.2-46.7177.900000112G163 E167 N171 R172 Q177 F178 Y179G163-A175 WeakPolarHBondContact O-CB 3.41Å; E167-A175 HydrophobicContact CB-CB 4.07Å; N171-A175 WeakPolarHBondContact O-CB 3.44Å; N171-A175 PolarHBondContact O-N 2.83Å; R172-A175 PolarHBondContact O-N 3.13Å; A175-Q177 PolarHBondContact O-N 3.39Å; A175-F178 PolarHBondContact O-N 3.16Å; A175-Y179 HydrophobicContact CB-CD2 4.48Å; A175-Y179 HydrophobicContact CB-CE2 4.08Å; A175-Y179 WeakPolarHBondContact O-CD2 3.32Å; A175-Y179 VanDerWaalsContact O-CG 3.3Å; A175-Y179 PolarHBondContact O-N 3.08Å
176M84.5Confident86.7Confident31 Ų3147.3 Ų47.315%0.15323%0.234CC..Hα-helixtrans-60.4-43.7175.8-70.3-177-67.600113R172 S173 L174 F178 Y179 K180 L196 S201R172-M176 VanDerWaalsContact O-CG 3.3Å; R172-M176 WeakPolarHBondContact O-CG 3.35Å; R172-M176 PolarHBondContact O-N 3.19Å; S173-M176 PolarHBondContact O-N 3.04Å; L174-M176 VanDerWaalsContact C-N 3.29Å; L174-M176 PolarHBondContact O-N 3.02Å; M176-F178 VanDerWaalsContact C-N 3.34Å; M176-F178 PolarHBondContact O-N 3.45Å; M176-Y179 PolarHBondContact O-N 2.86Å; M176-K180 WeakPolarHBondContact O-CG 3.46Å; M176-K180 PolarHBondContact O-N 3.07Å; M176-L196 HydrophobicContact CB-CD2 4.42Å; M176-S201 WeakPolarHBondContact SD-CB 3.32Å; M176-S201 PolarHBondContact SD-OG 2.95Å
177Q87.7Confident86.4Confident98 Ų9846.5 Ų46.546%0.45823%0.232SC..Hα-helixtrans-60.6-45.2178.8-72174.4-16.500111S173 L174 A175 Y179 K180 E181S173-Q177 WeakPolarHBondContact O-CG 3.36Å; S173-Q177 PolarHBondContact O-N 3.12Å; L174-Q177 WeakPolarHBondContact O-CB 3.32Å; L174-Q177 PolarHBondContact O-N 3.26Å; A175-Q177 PolarHBondContact O-N 3.39Å; Q177-Y179 PolarHBondContact O-N 3.21Å; Q177-K180 PolarHBondContact O-N 3.06Å; Q177-E181 WeakPolarHBondContact O-CB 3.49Å; Q177-E181 PolarHBondContact O-N 3.42Å
178F91Very high86.2Confident33 Ų3348.5 Ų48.515%0.14525%0.245CC..Hα-helixtrans-67.8-33.7177.5-74-64.3000113.4K162 Y166 L174 A175 M176 E181 A182K162-F178 HydrophobicContact CB-CB 4.38Å; K162-F178 HydrophobicContact CB-CD1 3.97Å; K162-F178 HydrophobicContact CB-CD2 4.24Å; K162-F178 HydrophobicContact CB-CE1 4.34Å; K162-F178 HydrophobicContact CB-CG 3.92Å; K162-F178 HydrophobicContact CD-CD1 4.03Å; K162-F178 HydrophobicContact CD-CE1 3.69Å; K162-F178 HydrophobicContact CD-CZ 4.17Å; Y166-F178 AromaticContact CD2-CD2 3.42Å; Y166-F178 HydrophobicContact CD2-CD2 3.42Å; Y166-F178 VanDerWaalsContact CD2-CD2 3.42Å; Y166-F178 AromaticContact CD2-CE2 3.46Å; Y166-F178 HydrophobicContact CD2-CE2 3.46Å; Y166-F178 VanDerWaalsContact CD2-CE2 3.46Å; Y166-F178 AromaticContact CE2-CD2 3.56Å; Y166-F178 HydrophobicContact CE2-CD2 3.56Å; Y166-F178 AromaticContact CE2-CE2 3.07Å; Y166-F178 HydrophobicContact CE2-CE2 3.07Å; Y166-F178 AromaticContact CE2-CZ 3.86Å; Y166-F178 HydrophobicContact CE2-CZ 3.86Å; Y166-F178 AromaticContact CZ-CE2 3.96Å; L174-F178 HydrophobicContact CB-CD2 4.38Å; L174-F178 HydrophobicContact CB-CE2 4.22Å; L174-F178 WeakPolarHBondContact O-CD2 3.39Å; L174-F178 PolarHBondContact O-N 3.48Å; A175-F178 PolarHBondContact O-N 3.16Å; M176-F178 VanDerWaalsContact C-N 3.34Å; M176-F178 PolarHBondContact O-N 3.45Å; F178-E181 WeakPolarHBondContact CD1-OE2 3.42Å; F178-A182 WeakPolarHBondContact O-CB 3.34Å; F178-A182 PolarHBondContact O-N 2.84Å
179Y90.3Very high86.3Confident0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-69.5-37.5172.6-66-48.1000112.5G163 K164 E167 A175 M176 Q177 A182 L183 A192 K195 L196 F199G163-Y179 VanDerWaalsContact C-OH 3.28Å; G163-Y179 PolarHBondContact O-OH 3.01Å; K164-Y179 VanDerWaalsContact CA-OH 3.23Å; K164-Y179 WeakPolarHBondContact CA-OH 3.29Å; K164-Y179 HydrophobicContact CG-CE1 4.31Å; K164-Y179 WeakPolarHBondContact CG-OH 3.49Å; K164-Y179 PolarHBondContact N-OH 3.36Å; K164-Y179 VanDerWaalsContact N-OH 3.15Å; E167-Y179 PolarHBondContact OE2-OH 2.64Å; A175-Y179 HydrophobicContact CB-CD2 4.48Å; A175-Y179 HydrophobicContact CB-CE2 4.08Å; A175-Y179 WeakPolarHBondContact O-CD2 3.32Å; A175-Y179 VanDerWaalsContact O-CG 3.3Å; A175-Y179 PolarHBondContact O-N 3.08Å; M176-Y179 PolarHBondContact O-N 2.86Å; Q177-Y179 PolarHBondContact O-N 3.21Å; Y179-A182 PolarHBondContact O-N 3.3Å; Y179-L183 PolarHBondContact O-N 3.23Å; Y179-A192 HydrophobicContact CD1-CB 4.37Å; Y179-K195 HydrophobicContact CD1-CB 4.29Å; Y179-K195 HydrophobicContact CD2-CB 4.14Å; Y179-K195 HydrophobicContact CE1-CB 4.04Å; Y179-K195 HydrophobicContact CE1-CG 4.17Å; Y179-K195 HydrophobicContact CE2-CB 3.91Å; Y179-K195 HydrophobicContact CG-CB 4.33Å; Y179-L196 HydrophobicContact CD2-CD2 4.35Å; Y179-L196 HydrophobicContact CG-CD2 4.42Å; Y179-F199 HydrophobicContact CD2-CD2 4.41Å; Y179-F199 HydrophobicContact CD2-CE2 4.21Å; Y179-F199 HydrophobicContact CE2-CD2 4.18Å; Y179-F199 AromaticContact CE2-CE2 3.54Å; Y179-F199 HydrophobicContact CE2-CE2 3.54Å; Y179-F199 HydrophobicContact CE2-CZ 4.44Å
180K87.3Confident86.4Confident54 Ų5448.2 Ų48.224%0.23524%0.241CC..Hα-helixtrans-62.1-47.2171.9-71.5-179.5-179.8-161.90110.5M176 Q177 A182 L183 L184 L196 E206 L210M176-K180 WeakPolarHBondContact O-CG 3.46Å; M176-K180 PolarHBondContact O-N 3.07Å; Q177-K180 PolarHBondContact O-N 3.06Å; K180-A182 VanDerWaalsContact C-N 3.33Å; K180-A182 PolarHBondContact O-N 2.91Å; K180-L183 PolarHBondContact O-N 3.16Å; K180-L183 VanDerWaalsContact O-N 3.17Å; K180-L184 WeakPolarHBondContact O-CG 3.42Å; K180-L184 PolarHBondContact O-N 3.27Å; K180-L196 HydrophobicContact CG-CD1 3.96Å; K180-L196 HydrophobicContact CG-CD2 4.28Å; K180-E206 IonicContact NZ-OE2 2.9Å; K180-L210 HydrophobicContact CD-CD2 3.72Å; K180-L210 HydrophobicContact CG-CD2 3.75Å
181E88.5Confident86.8Confident62 Ų6245 Ų4529%0.2923%0.226SC..Hα-helixtrans-58.3-43.7175.8-172.3-177.2177.500111.9A159 Q177 F178 L183 L184 L185A159-E181 HydrophobicContact CB-CG 4.47Å; Q177-E181 WeakPolarHBondContact O-CB 3.49Å; Q177-E181 PolarHBondContact O-N 3.42Å; F178-E181 WeakPolarHBondContact CD1-OE2 3.42Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 3.13Å; E181-L184 PolarHBondContact O-N 3.46Å; E181-L185 HydrophobicContact CG-CD1 4.16Å; E181-L185 VanDerWaalsContact O-CG 3.32Å; E181-L185 WeakPolarHBondContact O-CG 2.8Å; E181-L185 PolarHBondContact O-N 2.77Å
182A89.7Confident86.9Confident0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-58.3-39.7176.700000112.6S156 A159 L160 F178 Y179 K180 D186 A192S156-A182 WeakPolarHBondContact CB-O 3.45Å; S156-A182 WeakPolarHBondContact O-CB 3.48Å; A159-A182 HydrophobicContact CB-CB 3.91Å; L160-A182 HydrophobicContact CB-CB 4.18Å; F178-A182 WeakPolarHBondContact O-CB 3.34Å; F178-A182 PolarHBondContact O-N 2.84Å; Y179-A182 PolarHBondContact O-N 3.3Å; K180-A182 VanDerWaalsContact C-N 3.33Å; K180-A182 PolarHBondContact O-N 2.91Å; A182-D186 PolarHBondContact O-N 3.09Å; A182-A192 HydrophobicContact CB-CB 3.93Å
183L86.8Confident87.2Confident7 Ų739.7 Ų39.74%0.03720%0.201CC..Hα-helixtrans-74.7-34.6177.8-71174.1000113.8Y179 K180 E181 L185 D186 V187 C189 A192 F193 L196 L214Y179-L183 PolarHBondContact O-N 3.23Å; K180-L183 PolarHBondContact O-N 3.16Å; K180-L183 VanDerWaalsContact O-N 3.17Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 3.13Å; L183-L185 VanDerWaalsContact C-N 3.28Å; L183-D186 CarbonylContact O-C 3.51Å; L183-D186 VanDerWaalsContact O-C 3.28Å; L183-V187 PolarHBondContact O-N 2.67Å; L183-C189 HydrophobicContact CD2-CB 4.44Å; L183-C189 VanDerWaalsContact CD2-O 3.28Å; L183-C189 WeakPolarHBondContact CD2-O 3.33Å; L183-A192 HydrophobicContact CD2-CB 4.01Å; L183-A192 HydrophobicContact CG-CB 3.91Å; L183-F193 HydrophobicContact CD1-CB 4.13Å; L183-F193 HydrophobicContact CD1-CD2 4.39Å; L183-F193 HydrophobicContact CD2-CB 3.85Å; L183-L196 HydrophobicContact CD1-CD1 3.44Å; L183-L196 VanDerWaalsContact CD1-CD1 3.44Å; L183-L214 HydrophobicContact CB-CD2 3.94Å; L183-L214 WeakPolarHBondContact O-CD2 3.35Å
184L86.2Confident87.2Confident82 Ų8237.9 Ų37.943%0.42919%0.186SC..Hα-helixtrans-66-34.4175-69.9174.1000111.4K180 E181 E213 L214K180-L184 WeakPolarHBondContact O-CG 3.42Å; K180-L184 PolarHBondContact O-N 3.27Å; E181-L184 PolarHBondContact O-N 3.46Å; L184-E213 HydrophobicContact CD2-CB 4.21Å; L184-L214 HydrophobicContact CD2-CD2 4.41Å
185L84.7Confident87Confident59 Ų5936.7 Ų36.731%0.30918%0.178SC..Hα-helixtrans-76.7-40.4175.6-67.8171000112.6H155 E181 L183H155-L185 HydrophobicContact CB-CD1 3.89Å; E181-L185 HydrophobicContact CG-CD1 4.16Å; E181-L185 VanDerWaalsContact O-CG 3.32Å; E181-L185 WeakPolarHBondContact O-CG 2.8Å; E181-L185 PolarHBondContact O-N 2.77Å; L183-L185 VanDerWaalsContact C-N 3.28Å
186D83.9Confident86.7Confident26 Ų2636.8 Ų36.814%0.13918%0.179CC..  trans-142.6104.9178.1-176.55.1000111.5S156 A182 L183 T188 C189S156-D186 WeakPolarHBondContact OG-CB 3Å; A182-D186 PolarHBondContact O-N 3.09Å; L183-D186 CarbonylContact O-C 3.51Å; L183-D186 VanDerWaalsContact O-C 3.28Å; D186-T188 VanDerWaalsContact CG-OG1 3.24Å; D186-T188 PolarHBondContact O-N 3.32Å; D186-T188 VanDerWaalsContact O-N 3.15Å; D186-T188 WeakPolarHBondContact OD1-CB 3.07Å; D186-T188 PolarHBondContact OD1-N 3.48Å; D186-T188 PolarHBondContact OD1-OG1 3.39Å; D186-T188 PolarHBondContact OD2-OG1 3.47Å; D186-C189 HydrophobicContact CB-CB 4.43Å; D186-C189 VanDerWaalsContact O-CB 3.27Å; D186-C189 WeakPolarHBondContact O-CB 3.25Å; D186-C189 PolarHBondContact O-N 3.25Å; D186-C189 VanDerWaalsContact O-N 3.12Å
187V84.3Confident86.3Confident14 Ų1436.6 Ų36.69%0.08518%0.179CC..THydrogen-bonded Turntrans-62-24.1178.8-174.90000111.8L183 C189 L214 F216 L220 Y232L183-V187 PolarHBondContact O-N 2.67Å; V187-C189 PolarHBondContact O-N 2.9Å; V187-L214 HydrophobicContact CG2-CD2 4.26Å; V187-F216 HydrophobicContact CG1-CD1 3.71Å; V187-F216 HydrophobicContact CG1-CE1 3.69Å; V187-L220 HydrophobicContact CB-CD1 4.19Å; V187-Y232 HydrophobicContact CG1-CE2 4.28Å; V187-Y232 PolarHBondContact O-OH 3.2Å
188T84.3Confident85.4Confident58 Ų5833.4 Ų33.436%0.35616%0.164SC..THydrogen-bonded Turntrans-79.3-5.8-179.571.40000113.9D186 Y190 L220D186-T188 VanDerWaalsContact CG-OG1 3.24Å; D186-T188 PolarHBondContact O-N 3.32Å; D186-T188 VanDerWaalsContact O-N 3.15Å; D186-T188 WeakPolarHBondContact OD1-CB 3.07Å; D186-T188 PolarHBondContact OD1-N 3.48Å; D186-T188 PolarHBondContact OD1-OG1 3.39Å; D186-T188 PolarHBondContact OD2-OG1 3.47Å; T188-Y190 VanDerWaalsContact C-N 3.26Å; T188-Y190 PolarHBondContact O-N 2.97Å; T188-L220 HydrophobicContact CG2-CD1 4.04Å; T188-L220 HydrophobicContact CG2-CD2 3.56Å; T188-L220 HydrophobicContact CG2-CG 4.37Å
189C87.2Confident83.8Confident19 Ų1932.8 Ų32.813%0.12816%0.162CC..  trans-72.975.8179.2-164.30000111.9L160 L183 D186 V187 E191 A192 F193L160-C189 WeakPolarHBondContact CD1-SG 3.44Å; L183-C189 HydrophobicContact CD2-CB 4.44Å; L183-C189 VanDerWaalsContact CD2-O 3.28Å; L183-C189 WeakPolarHBondContact CD2-O 3.33Å; D186-C189 HydrophobicContact CB-CB 4.43Å; D186-C189 VanDerWaalsContact O-CB 3.27Å; D186-C189 WeakPolarHBondContact O-CB 3.25Å; D186-C189 PolarHBondContact O-N 3.25Å; D186-C189 VanDerWaalsContact O-N 3.12Å; V187-C189 PolarHBondContact O-N 2.9Å; C189-E191 PolarHBondContact O-N 2.95Å; C189-A192 HydrophobicContact CB-CB 4.42Å; C189-A192 PolarHBondContact O-N 2.68Å; C189-F193 PolarHBondContact O-N 3.43Å
190Y89.2Confident82.1Confident92 Ų9233.2 Ų33.236%0.36116%0.164SC..Hα-helixtrans-58-35.1-178.1176.7-100000112.9T188 A192 F193 E194 Y232T188-Y190 VanDerWaalsContact C-N 3.26Å; T188-Y190 PolarHBondContact O-N 2.97Å; Y190-A192 VanDerWaalsContact C-N 3.34Å; Y190-A192 PolarHBondContact O-N 3.2Å; Y190-F193 HydrophobicContact CD2-CD1 4.24Å; Y190-F193 HydrophobicContact CE2-CD1 4.17Å; Y190-F193 CarbonylContact O-C 3.28Å; Y190-F193 WeakPolarHBondContact O-CB 3.28Å; Y190-F193 PolarHBondContact O-N 2.92Å; Y190-F193 VanDerWaalsContact O-N 3.15Å; Y190-E194 HydrophobicContact CD1-CB 4.48Å; Y190-E194 HydrophobicContact CE1-CB 4.05Å; Y190-E194 HydrophobicContact CE1-CG 4.36Å; Y190-E194 VanDerWaalsContact CE1-OE2 3.27Å; Y190-E194 WeakPolarHBondContact CE1-OE2 3.41Å; Y190-E194 WeakPolarHBondContact O-CB 3.35Å; Y190-E194 PolarHBondContact O-N 3.21Å; Y190-Y232 HydrophobicContact CD2-CE1 4.1Å
191E89.7Confident80.4Confident68 Ų6831.6 Ų31.632%0.31816%0.159SC..Hα-helixtrans-64.5-37.9-179.1-179.3176.2-15700112.1L160 K164 C189 F193 E194 K195L160-E191 HydrophobicContact CD1-CB 3.85Å; L160-E191 HydrophobicContact CD1-CG 3.99Å; K164-E191 WeakPolarHBondContact CE-OE1 3.44Å; K164-E191 IonicContact NZ-OE1 3.6Å; K164-E191 PolarHBondContact NZ-OE1 3.26Å; K164-E191 IonicContact NZ-OE2 3.49Å; K164-E191 PolarHBondContact NZ-OE2 3.03Å; C189-E191 PolarHBondContact O-N 2.95Å; E191-F193 VanDerWaalsContact C-N 3.35Å; E191-E194 PolarHBondContact O-N 3.31Å; E191-K195 WeakPolarHBondContact O-CB 3.42Å; E191-K195 VanDerWaalsContact O-CG 3.23Å; E191-K195 WeakPolarHBondContact O-CG 3.35Å; E191-K195 PolarHBondContact O-N 3.13Å
192A88.7Confident78.9Confident0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-65.2-41.3173.400000111.1L160 Y179 A182 L183 C189 Y190 K195 L196L160-A192 HydrophobicContact CD1-CB 4.15Å; Y179-A192 HydrophobicContact CD1-CB 4.37Å; A182-A192 HydrophobicContact CB-CB 3.93Å; L183-A192 HydrophobicContact CD2-CB 4.01Å; L183-A192 HydrophobicContact CG-CB 3.91Å; C189-A192 HydrophobicContact CB-CB 4.42Å; C189-A192 PolarHBondContact O-N 2.68Å; Y190-A192 VanDerWaalsContact C-N 3.34Å; Y190-A192 PolarHBondContact O-N 3.2Å; A192-K195 PolarHBondContact O-N 3.28Å; A192-L196 WeakPolarHBondContact O-CG 3.37Å; A192-L196 PolarHBondContact O-N 3.48Å
193F86.8Confident77.6Confident11 Ų1131 Ų315%0.04816%0.161CC..Hα-helixtrans-62.1-47.6175.5177.3-100.8000111.7L183 C189 Y190 E191 K195 L196 V197 Y232 K235 L236L183-F193 HydrophobicContact CD1-CB 4.13Å; L183-F193 HydrophobicContact CD1-CD2 4.39Å; L183-F193 HydrophobicContact CD2-CB 3.85Å; C189-F193 PolarHBondContact O-N 3.43Å; Y190-F193 HydrophobicContact CD2-CD1 4.24Å; Y190-F193 HydrophobicContact CE2-CD1 4.17Å; Y190-F193 CarbonylContact O-C 3.28Å; Y190-F193 WeakPolarHBondContact O-CB 3.28Å; Y190-F193 PolarHBondContact O-N 2.92Å; Y190-F193 VanDerWaalsContact O-N 3.15Å; E191-F193 VanDerWaalsContact C-N 3.35Å; F193-K195 VanDerWaalsContact C-N 3.33Å; F193-K195 PolarHBondContact O-N 3.2Å; F193-L196 WeakPolarHBondContact O-CB 3.27Å; F193-L196 PolarHBondContact O-N 2.82Å; F193-V197 HydrophobicContact CD1-CG2 4.25Å; F193-V197 HydrophobicContact CD2-CG2 4.46Å; F193-V197 HydrophobicContact CE1-CG2 3.89Å; F193-V197 HydrophobicContact CE2-CG2 4.11Å; F193-V197 HydrophobicContact CZ-CG2 3.82Å; F193-V197 VanDerWaalsContact O-CG2 3.31Å; F193-V197 WeakPolarHBondContact O-CG2 3.46Å; F193-V197 PolarHBondContact O-N 3.22Å; F193-Y232 HydrophobicContact CB-CE1 4.33Å; F193-Y232 HydrophobicContact CB-CE2 4.45Å; F193-Y232 AromaticContact CD1-CD1 3.83Å; F193-Y232 HydrophobicContact CD1-CD1 3.83Å; F193-Y232 AromaticContact CD1-CE1 3.79Å; F193-Y232 HydrophobicContact CD1-CE1 3.79Å; F193-Y232 HydrophobicContact CD1-CG 4.37Å; F193-Y232 HydrophobicContact CD2-CD1 4.32Å; F193-Y232 AromaticContact CD2-CD2 3.97Å; F193-Y232 HydrophobicContact CD2-CD2 3.97Å; F193-Y232 HydrophobicContact CD2-CE1 4.43Å; F193-Y232 HydrophobicContact CD2-CE2 4.09Å; F193-Y232 HydrophobicContact CD2-CG 4.09Å; F193-Y232 AromaticContact CE1-CD1 3.69Å; F193-Y232 HydrophobicContact CE1-CD1 3.69Å; F193-Y232 HydrophobicContact CE1-CE1 4.16Å; F193-Y232 HydrophobicContact CE1-CG 4.09Å; F193-Y232 HydrophobicContact CE2-CD1 4.21Å; F193-Y232 AromaticContact CE2-CD2 3.99Å; F193-Y232 HydrophobicContact CE2-CD2 3.99Å; F193-Y232 AromaticContact CE2-CG 3.79Å; F193-Y232 HydrophobicContact CE2-CG 3.79Å; F193-Y232 HydrophobicContact CG-CD1 4.13Å; F193-Y232 HydrophobicContact CG-CD2 4.4Å; F193-Y232 AromaticContact CG-CE1 3.94Å; F193-Y232 HydrophobicContact CG-CE1 3.94Å; F193-Y232 HydrophobicContact CG-CE2 4.22Å; F193-Y232 HydrophobicContact CG-CG 4.36Å; F193-Y232 AromaticContact CG-CZ 3.97Å; F193-Y232 AromaticContact CZ-CD1 3.88Å; F193-Y232 HydrophobicContact CZ-CD1 3.88Å; F193-Y232 HydrophobicContact CZ-CD2 4.44Å; F193-Y232 AromaticContact CZ-CG 3.78Å; F193-Y232 HydrophobicContact CZ-CG 3.78Å; F193-K235 HydrophobicContact CE1-CB 3.85Å; F193-K235 HydrophobicContact CE1-CG 4.26Å; F193-K235 HydrophobicContact CZ-CB 4.13Å; F193-L236 HydrophobicContact CE2-CD1 3.98Å; F193-L236 HydrophobicContact CE2-CD2 4.32Å; F193-L236 HydrophobicContact CE2-CG 4.18Å; F193-L236 HydrophobicContact CZ-CD1 4.09Å; F193-L236 HydrophobicContact CZ-CD2 4.2Å; F193-L236 HydrophobicContact CZ-CG 3.88Å
194E84.9Confident76.6Confident29 Ų2934.4 Ų34.414%0.13619%0.185CC..Hα-helixtrans-61-43.6178-165.7-171.816000110.9Y190 E191 L196 V197 Q198 P602Y190-E194 HydrophobicContact CD1-CB 4.48Å; Y190-E194 HydrophobicContact CE1-CB 4.05Å; Y190-E194 HydrophobicContact CE1-CG 4.36Å; Y190-E194 VanDerWaalsContact CE1-OE2 3.27Å; Y190-E194 WeakPolarHBondContact CE1-OE2 3.41Å; Y190-E194 WeakPolarHBondContact O-CB 3.35Å; Y190-E194 PolarHBondContact O-N 3.21Å; E191-E194 PolarHBondContact O-N 3.31Å; E194-L196 PolarHBondContact O-N 2.8Å; E194-V197 PolarHBondContact O-N 3.5Å; E194-Q198 HydrophobicContact CG-CG 4.35Å; E194-Q198 WeakPolarHBondContact O-CB 3.47Å; E194-Q198 VanDerWaalsContact O-CG 3.22Å; E194-Q198 WeakPolarHBondContact O-CG 3.39Å; E194-Q198 PolarHBondContact O-N 2.79Å; E194-Q198 PolarHBondContact OE1-NE2 3.25Å; E194-P602 WeakPolarHBondContact OE1-CG 3.46Å
195K83.8Confident75.7Confident27 Ų2737.8 Ų37.812%0.11720%0.199CC..Hα-helixtrans-60.2-45.4175.8-71.4-71.9164.4-160.40111.8Y179 E191 A192 F193 V197 Q198 F199Y179-K195 HydrophobicContact CD1-CB 4.29Å; Y179-K195 HydrophobicContact CD2-CB 4.14Å; Y179-K195 HydrophobicContact CE1-CB 4.04Å; Y179-K195 HydrophobicContact CE1-CG 4.17Å; Y179-K195 HydrophobicContact CE2-CB 3.91Å; Y179-K195 HydrophobicContact CG-CB 4.33Å; E191-K195 WeakPolarHBondContact O-CB 3.42Å; E191-K195 VanDerWaalsContact O-CG 3.23Å; E191-K195 WeakPolarHBondContact O-CG 3.35Å; E191-K195 PolarHBondContact O-N 3.13Å; A192-K195 PolarHBondContact O-N 3.28Å; F193-K195 VanDerWaalsContact C-N 3.33Å; F193-K195 PolarHBondContact O-N 3.2Å; K195-V197 VanDerWaalsContact C-N 3.35Å; K195-V197 PolarHBondContact O-N 3.08Å; K195-Q198 WeakPolarHBondContact O-CB 3.26Å; K195-Q198 PolarHBondContact O-N 3.09Å; K195-F199 WeakPolarHBondContact O-CD2 3.4Å; K195-F199 PolarHBondContact O-N 3Å
196L80.5Confident74.9Confident3 Ų338.8 Ų38.82%0.01620%0.202CC..Hα-helixtrans-59-44.6175-78.1-174.9000112.6M176 Y179 K180 L183 A192 F193 E194 Q198 F199 I202 L210M176-L196 HydrophobicContact CB-CD2 4.42Å; Y179-L196 HydrophobicContact CD2-CD2 4.35Å; Y179-L196 HydrophobicContact CG-CD2 4.42Å; K180-L196 HydrophobicContact CG-CD1 3.96Å; K180-L196 HydrophobicContact CG-CD2 4.28Å; L183-L196 HydrophobicContact CD1-CD1 3.44Å; L183-L196 VanDerWaalsContact CD1-CD1 3.44Å; A192-L196 WeakPolarHBondContact O-CG 3.37Å; A192-L196 PolarHBondContact O-N 3.48Å; F193-L196 WeakPolarHBondContact O-CB 3.27Å; F193-L196 PolarHBondContact O-N 2.82Å; E194-L196 PolarHBondContact O-N 2.8Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-F199 PolarHBondContact O-N 2.69Å; L196-I202 HydrophobicContact CB-CD1 3.68Å; L196-I202 HydrophobicContact CD1-CD1 4.27Å; L196-I202 HydrophobicContact CD2-CD1 4.14Å; L196-I202 HydrophobicContact CG-CD1 4.25Å; L196-L210 HydrophobicContact CD1-CD1 4.43Å
197V77Confident74.2Confident26 Ų2638.8 Ų38.816%0.15820%0.201CC..Hα-helixtrans-65.5-38.2176.7176.90000111.2F193 E194 K195 Q200 L236F193-V197 HydrophobicContact CD1-CG2 4.25Å; F193-V197 HydrophobicContact CD2-CG2 4.46Å; F193-V197 HydrophobicContact CE1-CG2 3.89Å; F193-V197 HydrophobicContact CE2-CG2 4.11Å; F193-V197 HydrophobicContact CZ-CG2 3.82Å; F193-V197 VanDerWaalsContact O-CG2 3.31Å; F193-V197 WeakPolarHBondContact O-CG2 3.46Å; F193-V197 PolarHBondContact O-N 3.22Å; E194-V197 PolarHBondContact O-N 3.5Å; K195-V197 VanDerWaalsContact C-N 3.35Å; K195-V197 PolarHBondContact O-N 3.08Å; V197-Q200 WeakPolarHBondContact O-CG 3.39Å; V197-Q200 PolarHBondContact O-N 2.98Å; V197-L236 HydrophobicContact CG2-CD2 4Å
198Q69.3Low73.5Confident31 Ų3141.6 Ų41.615%0.14522%0.221CC..Hα-helixtrans-63.9-41.3176.8-77.7175.59.500112E194 K195 L196 Q200E194-Q198 HydrophobicContact CG-CG 4.35Å; E194-Q198 WeakPolarHBondContact O-CB 3.47Å; E194-Q198 VanDerWaalsContact O-CG 3.22Å; E194-Q198 WeakPolarHBondContact O-CG 3.39Å; E194-Q198 PolarHBondContact O-N 2.79Å; E194-Q198 PolarHBondContact OE1-NE2 3.25Å; K195-Q198 WeakPolarHBondContact O-CB 3.26Å; K195-Q198 PolarHBondContact O-N 3.09Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; Q198-Q200 PolarHBondContact O-N 3.3Å; Q198-Q200 VanDerWaalsContact O-N 3.09Å
199F56.9Low73.1Confident21 Ų2140.8 Ų40.89%0.09222%0.221CC..Hα-helixtrans-62.7-18.1177.9-83.4-68.6000113.1E167 R172 Y179 K195 L196 S201E167-F199 HydrophobicContact CB-CZ 3.93Å; E167-F199 HydrophobicContact CG-CE2 4.45Å; E167-F199 HydrophobicContact CG-CZ 3.65Å; E167-F199 WeakPolarHBondContact OE2-CE2 3.36Å; E167-F199 WeakPolarHBondContact OE2-CZ 3.11Å; R172-F199 HydrophobicContact CG-CE1 4.21Å; Y179-F199 HydrophobicContact CD2-CD2 4.41Å; Y179-F199 HydrophobicContact CD2-CE2 4.21Å; Y179-F199 HydrophobicContact CE2-CD2 4.18Å; Y179-F199 AromaticContact CE2-CE2 3.54Å; Y179-F199 HydrophobicContact CE2-CE2 3.54Å; Y179-F199 HydrophobicContact CE2-CZ 4.44Å; K195-F199 WeakPolarHBondContact O-CD2 3.4Å; K195-F199 PolarHBondContact O-N 3Å; L196-F199 PolarHBondContact O-N 2.69Å; F199-S201 WeakPolarHBondContact CB-OG 3.33Å; F199-S201 PolarHBondContact O-N 3.12Å
200Q54.3Low72.5Confident9 Ų941 Ų414%0.04222%0.221CC..THydrogen-bonded Turntrans40.626-172.8-63.7-168.722.200112.2V197 Q198 I202 R390 G391 K599V197-Q200 WeakPolarHBondContact O-CG 3.39Å; V197-Q200 PolarHBondContact O-N 2.98Å; Q198-Q200 PolarHBondContact O-N 3.3Å; Q198-Q200 VanDerWaalsContact O-N 3.09Å; Q200-I202 PolarHBondContact O-N 3.36Å; Q200-R390 CarbonylContact O-C 3.59Å; Q200-G391 WeakPolarHBondContact O-CA 3.36Å; Q200-G391 PolarHBondContact O-N 2.99Å; Q200-K599 VanDerWaalsContact OE1-CD 3.23Å
201S51.6Low71.8Confident20 Ų2038.3 Ų38.314%0.1421%0.212CC..  trans-82.5-14.7-175.145.50000111.1M176 F199M176-S201 WeakPolarHBondContact SD-CB 3.32Å; M176-S201 PolarHBondContact SD-OG 2.95Å; F199-S201 WeakPolarHBondContact CB-OG 3.33Å; F199-S201 PolarHBondContact O-N 3.12Å
202I57.9Low71.2Confident8 Ų839 Ų394%0.04123%0.23CC..SBendtrans-87.7112.7-179.9-56.2167.1000105.5L196 Q200 E206 E207 L210L196-I202 HydrophobicContact CB-CD1 3.68Å; L196-I202 HydrophobicContact CD1-CD1 4.27Å; L196-I202 HydrophobicContact CD2-CD1 4.14Å; L196-I202 HydrophobicContact CG-CD1 4.25Å; Q200-I202 PolarHBondContact O-N 3.36Å; I202-E206 HydrophobicContact CB-CB 4.18Å; I202-E206 HydrophobicContact CG2-CB 3.23Å; I202-E207 HydrophobicContact CB-CG 3.94Å; I202-E207 VanDerWaalsContact CG2-CA 3.47Å; I202-E207 HydrophobicContact CG2-CB 3.94Å; I202-E207 HydrophobicContact CG2-CG 3.33Å; I202-L210 HydrophobicContact CD1-CD1 3.37Å; I202-L210 HydrophobicContact CG1-CD1 4Å; I202-L210 HydrophobicContact CG2-CD1 3.79Å
203S62.4Low70.7Confident41 Ų4144.1 Ų44.129%0.28725%0.254SS..  trans-58.3160.2167.165.40000109.3E205 E206 E207S203-E205 PolarHBondContact O-N 3.35Å; S203-E206 PolarHBondContact O-N 3.01Å; S203-E206 WeakPolarHBondContact OG-CG 3.18Å; S203-E206 PolarHBondContact OG-N 3.36Å; S203-E206 VanDerWaalsContact OG-N 3.14Å; S203-E207 PolarHBondContact O-N 2.95Å
204S65Low70.1Confident78 Ų7844.3 Ų44.355%0.54526%0.255SS..Hα-helixtrans-53.1-27.4174.3-175.90000112.5S208S204-S208 PolarHBondContact O-N 3.4Å
205E67Low69.4Low154 Ų15448 Ų4872%0.7228%0.276SS*.Hα-helixtrans-71.5-48.6175-60.2179.8170.800111.5S203 E207 S208 A209S203-E205 PolarHBondContact O-N 3.35Å; E205-E207 PolarHBondContact O-N 2.94Å; E205-S208 PolarHBondContact O-N 2.91Å; E205-S208 PolarHBondContact O-OG 3.06Å; E205-A209 PolarHBondContact O-N 3.2Å
206E68.5Low68.7Low79 Ų7947.9 Ų47.937%0.36928%0.275SS..Hα-helixtrans-63.9-30.1176.1-68.7-179.7-153.600111.5K180 I202 S203 S208 A209 L210K180-E206 IonicContact NZ-OE2 2.9Å; I202-E206 HydrophobicContact CB-CB 4.18Å; I202-E206 HydrophobicContact CG2-CB 3.23Å; S203-E206 PolarHBondContact O-N 3.01Å; S203-E206 WeakPolarHBondContact OG-CG 3.18Å; S203-E206 PolarHBondContact OG-N 3.36Å; S203-E206 VanDerWaalsContact OG-N 3.14Å; E206-S208 VanDerWaalsContact C-N 3.34Å; E206-A209 PolarHBondContact O-N 3.42Å; E206-L210 WeakPolarHBondContact O-CB 3.45Å; E206-L210 VanDerWaalsContact O-CG 3.22Å; E206-L210 WeakPolarHBondContact O-CG 3.34Å; E206-L210 PolarHBondContact O-N 3.06Å
207E69.7Low67.9Low27 Ų2752.8 Ų52.813%0.12631%0.305CS..Hα-helixtrans-66.6-42.9177.3-73.2-175.3164.500109.4I202 S203 E205 L210 L211 L236I202-E207 HydrophobicContact CB-CG 3.94Å; I202-E207 VanDerWaalsContact CG2-CA 3.47Å; I202-E207 HydrophobicContact CG2-CB 3.94Å; I202-E207 HydrophobicContact CG2-CG 3.33Å; S203-E207 PolarHBondContact O-N 2.95Å; E205-E207 PolarHBondContact O-N 2.94Å; E207-L210 PolarHBondContact O-N 2.94Å; E207-L211 WeakPolarHBondContact O-CG 3.45Å; E207-L211 PolarHBondContact O-N 3.17Å; E207-L211 VanDerWaalsContact O-N 3.07Å; E207-L236 HydrophobicContact CB-CD2 4.09Å; E207-L236 VanDerWaalsContact CD-CD2 3.45Å; E207-L236 HydrophobicContact CG-CD2 3.78Å
208S69.3Low67.2Low72 Ų7256.5 Ų56.550%0.50332%0.324SS..Hα-helixtrans-67.3-36174.973.70000112.7S204 E205 E206 L211 A212S204-S208 PolarHBondContact O-N 3.4Å; E205-S208 PolarHBondContact O-N 2.91Å; E205-S208 PolarHBondContact O-OG 3.06Å; E206-S208 VanDerWaalsContact C-N 3.34Å; S208-L211 PolarHBondContact O-N 2.9Å; S208-A212 PolarHBondContact O-N 2.97Å; S208-A212 VanDerWaalsContact O-N 3.11Å
209A75.7Confident66.7Low42 Ų4261.3 Ų61.335%0.34735%0.346SS..Hα-helixtrans-66.9-43.6175.800000111.3E205 E206 L211 A212 E213E205-A209 PolarHBondContact O-N 3.2Å; E206-A209 PolarHBondContact O-N 3.42Å; A209-L211 PolarHBondContact O-N 3.35Å; A209-A212 CarbonylContact O-C 3.54Å; A209-A212 WeakPolarHBondContact O-CA 3.35Å; A209-A212 WeakPolarHBondContact O-CB 3.43Å; A209-A212 PolarHBondContact O-N 3.14Å; A209-E213 WeakPolarHBondContact O-CG 3.43Å; A209-E213 PolarHBondContact O-N 2.58Å
210L74Confident67.2Low24 Ų2462.3 Ų62.313%0.12635%0.353CS..Hα-helixtrans-62.2-42.2176.2-72.8171.4000112K180 L196 I202 E206 E207 A212 E213 L214K180-L210 HydrophobicContact CD-CD2 3.72Å; K180-L210 HydrophobicContact CG-CD2 3.75Å; L196-L210 HydrophobicContact CD1-CD1 4.43Å; I202-L210 HydrophobicContact CD1-CD1 3.37Å; I202-L210 HydrophobicContact CG1-CD1 4Å; I202-L210 HydrophobicContact CG2-CD1 3.79Å; E206-L210 WeakPolarHBondContact O-CB 3.45Å; E206-L210 VanDerWaalsContact O-CG 3.22Å; E206-L210 WeakPolarHBondContact O-CG 3.34Å; E206-L210 PolarHBondContact O-N 3.06Å; E207-L210 PolarHBondContact O-N 2.94Å; L210-A212 PolarHBondContact O-N 3.14Å; L210-E213 PolarHBondContact O-N 2.95Å; L210-L214 WeakPolarHBondContact O-CD1 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 2.6Å
211L74.9Confident68.2Low35 Ų3567.7 Ų67.718%0.18338%0.382CS..Hα-helixtrans-62.8-30.2173.8-74.5179.3000112.8E207 S208 A209 F216 K233 L236E207-L211 WeakPolarHBondContact O-CG 3.45Å; E207-L211 PolarHBondContact O-N 3.17Å; E207-L211 VanDerWaalsContact O-N 3.07Å; S208-L211 PolarHBondContact O-N 2.9Å; A209-L211 PolarHBondContact O-N 3.35Å; L211-F216 HydrophobicContact CD2-CZ 4.3Å; L211-K233 HydrophobicContact CD1-CG 4.03Å; L211-L236 HydrophobicContact CD1-CD1 3.54Å; L211-L236 HydrophobicContact CD2-CD1 3.74Å; L211-L236 HydrophobicContact CG-CD1 3.6Å
212A76.1Confident69.5Low83 Ų8371.6 Ų71.669%0.68641%0.406SS*.Hα-helixtrans-79.1-29177.100000113.1S208 A209 L210S208-A212 PolarHBondContact O-N 2.97Å; S208-A212 VanDerWaalsContact O-N 3.11Å; A209-A212 CarbonylContact O-C 3.54Å; A209-A212 WeakPolarHBondContact O-CA 3.35Å; A209-A212 WeakPolarHBondContact O-CB 3.43Å; A209-A212 PolarHBondContact O-N 3.14Å; L210-A212 PolarHBondContact O-N 3.14Å
213E79.3Confident70.5Confident107 Ų10776 Ų7650%0.543%0.43SS..Hα-helixtrans-77.9-22.3177.5-73.5174.8-177.600113.1L184 A209 L210 N215L184-E213 HydrophobicContact CD2-CB 4.21Å; A209-E213 WeakPolarHBondContact O-CG 3.43Å; A209-E213 PolarHBondContact O-N 2.58Å; L210-E213 PolarHBondContact O-N 2.95Å; E213-N215 PolarHBondContact O-N 3.13Å
214L75.1Confident71.5Confident15 Ų1578.2 Ų78.28%0.07944%0.436CS..  trans-76.1113.2-179.4-71162.9000111.4L183 L184 V187 L210 F216L183-L214 HydrophobicContact CB-CD2 3.94Å; L183-L214 WeakPolarHBondContact O-CD2 3.35Å; L184-L214 HydrophobicContact CD2-CD2 4.41Å; V187-L214 HydrophobicContact CG2-CD2 4.26Å; L210-L214 WeakPolarHBondContact O-CD1 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 2.6Å; L214-F216 HydrophobicContact CB-CD2 4.42Å; L214-F216 HydrophobicContact CB-CE1 4.36Å; L214-F216 HydrophobicContact CB-CE2 3.82Å; L214-F216 HydrophobicContact CB-CZ 3.78Å; L214-F216 HydrophobicContact CD1-CZ 4.18Å; L214-F216 WeakPolarHBondContact O-CD2 3.5Å; L214-F216 WeakPolarHBondContact O-CE2 3.35Å; L214-F216 PolarHBondContact O-N 3.25Å; L214-F216 VanDerWaalsContact O-N 3.11Å
215N69.7Low72.2Confident106 Ų10675.1 Ų75.157%0.56742%0.415SS*.  trans-77.493.4172.8-73.3-8000110.6E213 T217E213-N215 PolarHBondContact O-N 3.13Å; N215-T217 PolarHBondContact O-N 3Å
216F69.3Low73Confident24 Ų2472.4 Ų72.411%0.10540%0.401CS..  trans-73.5-9.2178.4-60.3-84.3000114.2V187 L211 L214 S225 E229V187-F216 HydrophobicContact CG1-CD1 3.71Å; V187-F216 HydrophobicContact CG1-CE1 3.69Å; L211-F216 HydrophobicContact CD2-CZ 4.3Å; L214-F216 HydrophobicContact CB-CD2 4.42Å; L214-F216 HydrophobicContact CB-CE1 4.36Å; L214-F216 HydrophobicContact CB-CE2 3.82Å; L214-F216 HydrophobicContact CB-CZ 3.78Å; L214-F216 HydrophobicContact CD1-CZ 4.18Å; L214-F216 WeakPolarHBondContact O-CD2 3.5Å; L214-F216 WeakPolarHBondContact O-CE2 3.35Å; L214-F216 PolarHBondContact O-N 3.25Å; L214-F216 VanDerWaalsContact O-N 3.11Å; F216-S225 VanDerWaalsContact CB-OG 3.26Å; F216-S225 WeakPolarHBondContact CB-OG 3.39Å; F216-S225 VanDerWaalsContact O-CB 3.24Å; F216-S225 WeakPolarHBondContact O-CB 3.45Å; F216-S225 PolarHBondContact O-OG 3.11Å; F216-E229 HydrophobicContact CD1-CB 4.35Å; F216-E229 HydrophobicContact CE1-CB 4.3Å; F216-E229 HydrophobicContact CE2-CG 4.43Å; F216-E229 HydrophobicContact CZ-CG 4.46Å
217T62.6Low73.8Confident106 Ų10670.5 Ų70.565%0.6539%0.393SS*.SBendtrans-95.2-29-166.148.10000115.3N215N215-T217 PolarHBondContact O-N 3Å
218D62.1Low74.4Confident104 Ų10469.8 Ų69.856%0.55639%0.39SS*.SBendtrans-90.2-21.7-155.5-62-12.1000113.8
219H60.5Low75.1Confident132 Ų13269.4 Ų69.461%0.61138%0.381SS*.SBendtrans-126.1-4.4-172.6-59.1-90.4000114.8E152E152-H219 IonicContact OE1-CE1 3.67Å; E152-H219 PolarHBondContact OE1-CE1 2.94Å; E152-H219 IonicContact OE2-CE1 3.56Å; E152-H219 PolarHBondContact OE2-CE1 3.46Å; E152-H219 IonicContact OE2-ND1 3.81Å; E152-H219 PolarHBondContact OE2-ND1 3.44Å
220L66.9Low75.5Confident43 Ų4368.4 Ų68.423%0.22537%0.368CS..SBendtrans-121.1147.7-171.7-74.1162.2000112.3V187 T188 M224V187-L220 HydrophobicContact CB-CD1 4.19Å; T188-L220 HydrophobicContact CG2-CD1 4.04Å; T188-L220 HydrophobicContact CG2-CD2 3.56Å; T188-L220 HydrophobicContact CG2-CG 4.37Å; L220-M224 HydrophobicContact CD2-CB 4.35Å
221N75.4Confident76Confident122 Ų12269.6 Ų69.665%0.65238%0.375SS*.  trans-54139.9167.7-76.6-25.9000109.6L223 M224 S225N221-L223 PolarHBondContact O-N 2.88Å; N221-L223 VanDerWaalsContact O-N 3.07Å; N221-M224 HydrophobicContact CB-CB 4.37Å; N221-M224 HydrophobicContact CB-CG 4.24Å; N221-M224 WeakPolarHBondContact O-CA 3.36Å; N221-M224 WeakPolarHBondContact O-CB 3.49Å; N221-M224 PolarHBondContact O-N 3.45Å; N221-S225 PolarHBondContact O-N 3.41Å
222P77.7Confident76.5Confident101 Ų10168.3 Ų68.366%0.65637%0.368SS*.Hα-helixtrans-59.1-29.6-174.421.2-33000113.3K226P222-K226 WeakPolarHBondContact O-CG 3.25Å; P222-K226 PolarHBondContact O-N 3.22Å
223L80.3Confident76.7Confident102 Ų10268.7 Ų68.753%0.53435%0.354SS..Hα-helixtrans-70.6-39.4173.1-66.6175.9000112.8N221 S225 L227N221-L223 PolarHBondContact O-N 2.88Å; N221-L223 VanDerWaalsContact O-N 3.07Å; L223-S225 VanDerWaalsContact C-N 3.35Å; L223-L227 WeakPolarHBondContact O-CB 3.47Å; L223-L227 PolarHBondContact O-N 3.49Å; L223-L227 VanDerWaalsContact O-N 3.09Å
224M82.2Confident76.8Confident86 Ų8663.8 Ų63.842%0.42433%0.331SS..Hα-helixtrans-67.5-39.1176.7-72.5-64.4-73.100111L220 N221 L227 T228L220-M224 HydrophobicContact CD2-CB 4.35Å; N221-M224 HydrophobicContact CB-CB 4.37Å; N221-M224 HydrophobicContact CB-CG 4.24Å; N221-M224 WeakPolarHBondContact O-CA 3.36Å; N221-M224 WeakPolarHBondContact O-CB 3.49Å; N221-M224 PolarHBondContact O-N 3.45Å; M224-L227 PolarHBondContact O-N 3.07Å; M224-T228 WeakPolarHBondContact O-CG2 3.38Å; M224-T228 PolarHBondContact O-N 2.91Å; M224-T228 PolarHBondContact O-OG1 3.2Å; M224-T228 VanDerWaalsContact O-OG1 3.1Å
225S80.3Confident77Confident13 Ų1364.3 Ų64.39%0.09133%0.333CS..Hα-helixtrans-56.8-51.7174.7-179.80000112.3F216 N221 L223 L227 T228 E229F216-S225 VanDerWaalsContact CB-OG 3.26Å; F216-S225 WeakPolarHBondContact CB-OG 3.39Å; F216-S225 VanDerWaalsContact O-CB 3.24Å; F216-S225 WeakPolarHBondContact O-CB 3.45Å; F216-S225 PolarHBondContact O-OG 3.11Å; N221-S225 PolarHBondContact O-N 3.41Å; L223-S225 VanDerWaalsContact C-N 3.35Å; S225-L227 VanDerWaalsContact C-N 3.31Å; S225-L227 PolarHBondContact O-N 3.45Å; S225-T228 PolarHBondContact O-N 3.27Å; S225-T228 PolarHBondContact O-OG1 3.34Å; S225-E229 VanDerWaalsContact O-CB 3.31Å; S225-E229 WeakPolarHBondContact O-CB 3.37Å; S225-E229 PolarHBondContact O-N 3.05Å
226K82.6Confident77.2Confident97 Ų9760.2 Ų60.242%0.42231%0.31SS..Hα-helixtrans-60.8-38.9175-71.8179.8-179.81800112.7P222 F230 E249P222-K226 WeakPolarHBondContact O-CG 3.25Å; P222-K226 PolarHBondContact O-N 3.22Å; K226-F230 WeakPolarHBondContact O-CB 2.99Å; K226-F230 PolarHBondContact O-N 2.86Å; K226-E249 IonicContact NZ-OE1 2.59Å; K226-E249 PolarHBondContact NZ-OE1 3.28Å; K226-E249 VanDerWaalsContact NZ-OE1 3.08Å; K226-E249 IonicContact NZ-OE2 3.83Å
227L85.5Confident77Confident39 Ų3961.5 Ų61.520%0.20432%0.319CS..Hα-helixtrans-68-47.8-179.3-178.5153.5000111.2L223 M224 S225 F230 L231 F250 L253L223-L227 WeakPolarHBondContact O-CB 3.47Å; L223-L227 PolarHBondContact O-N 3.49Å; L223-L227 VanDerWaalsContact O-N 3.09Å; M224-L227 PolarHBondContact O-N 3.07Å; S225-L227 VanDerWaalsContact C-N 3.31Å; S225-L227 PolarHBondContact O-N 3.45Å; L227-F230 PolarHBondContact O-N 3.31Å; L227-L231 HydrophobicContact CD2-CD1 3.47Å; L227-L231 VanDerWaalsContact CD2-CD1 3.47Å; L227-L231 HydrophobicContact CD2-CG 4.16Å; L227-L231 HydrophobicContact CG-CD1 4.32Å; L227-L231 WeakPolarHBondContact O-CG 3.4Å; L227-L231 PolarHBondContact O-N 2.73Å; L227-F250 HydrophobicContact CB-CE1 4.49Å; L227-F250 HydrophobicContact CB-CE2 4.33Å; L227-F250 HydrophobicContact CB-CZ 3.99Å; L227-F250 HydrophobicContact CD1-CD1 4.35Å; L227-F250 HydrophobicContact CD1-CE1 3.98Å; L227-F250 HydrophobicContact CD1-CZ 4.32Å; L227-L253 HydrophobicContact CD1-CD1 4.4Å
228T83.8Confident76.8Confident12 Ų1258.1 Ų58.17%0.07430%0.295CS..Hα-helixtrans-64.8-41.917953.20000111M224 S225 F230 L231 Y232M224-T228 WeakPolarHBondContact O-CG2 3.38Å; M224-T228 PolarHBondContact O-N 2.91Å; M224-T228 PolarHBondContact O-OG1 3.2Å; M224-T228 VanDerWaalsContact O-OG1 3.1Å; S225-T228 PolarHBondContact O-N 3.27Å; S225-T228 PolarHBondContact O-OG1 3.34Å; T228-F230 VanDerWaalsContact C-N 3.35Å; T228-F230 PolarHBondContact O-N 2.91Å; T228-L231 PolarHBondContact O-N 3.14Å; T228-Y232 WeakPolarHBondContact O-CB 3.32Å; T228-Y232 PolarHBondContact O-N 2.96Å
229E82.9Confident76.3Confident65 Ų6559.2 Ų59.230%0.30430%0.3SS..Hα-helixtrans-58.9-45.6174.6-170.2-170.2168.600111.4F216 S225 K233F216-E229 HydrophobicContact CD1-CB 4.35Å; F216-E229 HydrophobicContact CE1-CB 4.3Å; F216-E229 HydrophobicContact CE2-CG 4.43Å; F216-E229 HydrophobicContact CZ-CG 4.46Å; S225-E229 VanDerWaalsContact O-CB 3.31Å; S225-E229 WeakPolarHBondContact O-CB 3.37Å; S225-E229 PolarHBondContact O-N 3.05Å; E229-K233 HydrophobicContact CG-CD 4.09Å; E229-K233 VanDerWaalsContact O-CB 3.25Å; E229-K233 WeakPolarHBondContact O-CB 3.24Å; E229-K233 VanDerWaalsContact O-CG 3.23Å; E229-K233 WeakPolarHBondContact O-CG 3.41Å; E229-K233 PolarHBondContact O-N 3.1Å; E229-K233 WeakPolarHBondContact OE1-CE 3.31Å; E229-K233 IonicContact OE1-NZ 3.36Å; E229-K233 PolarHBondContact OE1-NZ 3.47Å
230F83.8Confident76Confident20 Ų2054.6 Ų54.69%0.08828%0.283CS..Hα-helixtrans-62.2-48.8176.6172.4-101.8000112.1K226 L227 T228 K233 D234 V246 P247K226-F230 WeakPolarHBondContact O-CB 2.99Å; K226-F230 PolarHBondContact O-N 2.86Å; L227-F230 PolarHBondContact O-N 3.31Å; T228-F230 VanDerWaalsContact C-N 3.35Å; T228-F230 PolarHBondContact O-N 2.91Å; F230-K233 PolarHBondContact O-N 2.76Å; F230-D234 WeakPolarHBondContact O-CB 3.49Å; F230-D234 PolarHBondContact O-N 2.95Å; F230-V246 HydrophobicContact CE1-CG2 4.41Å; F230-V246 HydrophobicContact CZ-CB 4.23Å; F230-V246 HydrophobicContact CZ-CG1 4.41Å; F230-V246 HydrophobicContact CZ-CG2 3.8Å; F230-P247 HydrophobicContact CD2-CG 4.13Å; F230-P247 HydrophobicContact CG-CG 4.36Å
231L85.1Confident75.4Confident49 Ų4956.9 Ų56.926%0.25730%0.299SS..Hα-helixtrans-65.5-40.2-177.8-69.4-179000112.3L227 T228 D234 K235 V259L227-L231 HydrophobicContact CD2-CD1 3.47Å; L227-L231 VanDerWaalsContact CD2-CD1 3.47Å; L227-L231 HydrophobicContact CD2-CG 4.16Å; L227-L231 HydrophobicContact CG-CD1 4.32Å; L227-L231 WeakPolarHBondContact O-CG 3.4Å; L227-L231 PolarHBondContact O-N 2.73Å; T228-L231 PolarHBondContact O-N 3.14Å; L231-D234 PolarHBondContact O-N 2.91Å; L231-K235 WeakPolarHBondContact O-CG 3.49Å; L231-K235 PolarHBondContact O-N 3.38Å; L231-V259 HydrophobicContact CD2-CG2 4.39Å
232Y84.9Confident74.5Confident9 Ų954.6 Ų54.64%0.03529%0.292CS..Hα-helixtrans-69.5-42.3177.3-72.42.8000111.2V187 Y190 F193 T228 D234 K235 L236V187-Y232 HydrophobicContact CG1-CE2 4.28Å; V187-Y232 PolarHBondContact O-OH 3.2Å; Y190-Y232 HydrophobicContact CD2-CE1 4.1Å; F193-Y232 HydrophobicContact CB-CE1 4.33Å; F193-Y232 HydrophobicContact CB-CE2 4.45Å; F193-Y232 AromaticContact CD1-CD1 3.83Å; F193-Y232 HydrophobicContact CD1-CD1 3.83Å; F193-Y232 AromaticContact CD1-CE1 3.79Å; F193-Y232 HydrophobicContact CD1-CE1 3.79Å; F193-Y232 HydrophobicContact CD1-CG 4.37Å; F193-Y232 HydrophobicContact CD2-CD1 4.32Å; F193-Y232 AromaticContact CD2-CD2 3.97Å; F193-Y232 HydrophobicContact CD2-CD2 3.97Å; F193-Y232 HydrophobicContact CD2-CE1 4.43Å; F193-Y232 HydrophobicContact CD2-CE2 4.09Å; F193-Y232 HydrophobicContact CD2-CG 4.09Å; F193-Y232 AromaticContact CE1-CD1 3.69Å; F193-Y232 HydrophobicContact CE1-CD1 3.69Å; F193-Y232 HydrophobicContact CE1-CE1 4.16Å; F193-Y232 HydrophobicContact CE1-CG 4.09Å; F193-Y232 HydrophobicContact CE2-CD1 4.21Å; F193-Y232 AromaticContact CE2-CD2 3.99Å; F193-Y232 HydrophobicContact CE2-CD2 3.99Å; F193-Y232 AromaticContact CE2-CG 3.79Å; F193-Y232 HydrophobicContact CE2-CG 3.79Å; F193-Y232 HydrophobicContact CG-CD1 4.13Å; F193-Y232 HydrophobicContact CG-CD2 4.4Å; F193-Y232 AromaticContact CG-CE1 3.94Å; F193-Y232 HydrophobicContact CG-CE1 3.94Å; F193-Y232 HydrophobicContact CG-CE2 4.22Å; F193-Y232 HydrophobicContact CG-CG 4.36Å; F193-Y232 AromaticContact CG-CZ 3.97Å; F193-Y232 AromaticContact CZ-CD1 3.88Å; F193-Y232 HydrophobicContact CZ-CD1 3.88Å; F193-Y232 HydrophobicContact CZ-CD2 4.44Å; F193-Y232 AromaticContact CZ-CG 3.78Å; F193-Y232 HydrophobicContact CZ-CG 3.78Å; T228-Y232 WeakPolarHBondContact O-CB 3.32Å; T228-Y232 PolarHBondContact O-N 2.96Å; Y232-D234 VanDerWaalsContact C-N 3.33Å; Y232-D234 PolarHBondContact O-N 2.64Å; Y232-K235 PolarHBondContact O-N 3.49Å; Y232-L236 WeakPolarHBondContact O-CB 3.16Å; Y232-L236 WeakPolarHBondContact O-CD1 3.45Å; Y232-L236 VanDerWaalsContact O-CG 3.25Å; Y232-L236 WeakPolarHBondContact O-CG 3.33Å; Y232-L236 PolarHBondContact O-N 3.4Å
233K81.9Confident73.6Confident90 Ų9056.5 Ų56.539%0.39129%0.293SS..Hα-helixtrans-59.8-43.4172.1-77177.5175.5177.80111.7L211 E229 F230 K235 L236 N237L211-K233 HydrophobicContact CD1-CG 4.03Å; E229-K233 HydrophobicContact CG-CD 4.09Å; E229-K233 VanDerWaalsContact O-CB 3.25Å; E229-K233 WeakPolarHBondContact O-CB 3.24Å; E229-K233 VanDerWaalsContact O-CG 3.23Å; E229-K233 WeakPolarHBondContact O-CG 3.41Å; E229-K233 PolarHBondContact O-N 3.1Å; E229-K233 WeakPolarHBondContact OE1-CE 3.31Å; E229-K233 IonicContact OE1-NZ 3.36Å; E229-K233 PolarHBondContact OE1-NZ 3.47Å; F230-K233 PolarHBondContact O-N 2.76Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.48Å; K233-L236 PolarHBondContact O-N 2.75Å; K233-N237 WeakPolarHBondContact O-CB 3.31Å; K233-N237 PolarHBondContact O-N 3.24Å
234D81.5Confident72.6Confident4 Ų453.3 Ų53.32%0.02128%0.277CS..Hα-helixtrans-64.6-37.1179.2-169.467.6000112.4F230 L231 Y232 T244 N262 R266F230-D234 WeakPolarHBondContact O-CB 3.49Å; F230-D234 PolarHBondContact O-N 2.95Å; L231-D234 PolarHBondContact O-N 2.91Å; Y232-D234 VanDerWaalsContact C-N 3.33Å; Y232-D234 PolarHBondContact O-N 2.64Å; D234-T244 PolarHBondContact OD1-OG1 3.17Å; D234-N262 VanDerWaalsContact OD2-CB 3.28Å; D234-N262 WeakPolarHBondContact OD2-CB 3.25Å; D234-N262 PolarHBondContact OD2-ND2 2.6Å; D234-R266 IonicContact OD1-CZ 3.62Å; D234-R266 IonicContact OD1-NH1 3.66Å; D234-R266 IonicContact OD1-NH2 2.72Å; D234-R266 PolarHBondContact OD1-NH2 3.05Å; D234-R266 IonicContact OD2-NH2 3.8Å
235K78.9Confident71.9Confident27 Ų2757.7 Ų57.712%0.11729%0.294CS..Hα-helixtrans-69.5-32.5174.1-73.5-79.3178.5-164.80113.2F193 L231 Y232 K233 K238 D258 N262F193-K235 HydrophobicContact CE1-CB 3.85Å; F193-K235 HydrophobicContact CE1-CG 4.26Å; F193-K235 HydrophobicContact CZ-CB 4.13Å; L231-K235 WeakPolarHBondContact O-CG 3.49Å; L231-K235 PolarHBondContact O-N 3.38Å; Y232-K235 PolarHBondContact O-N 3.49Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 3.48Å; K235-K238 WeakPolarHBondContact O-CE 3.08Å; K235-D258 IonicContact NZ-OD1 2.68Å; K235-N262 WeakPolarHBondContact CD-ND2 3.09Å; K235-N262 VanDerWaalsContact CD-OD1 3.29Å; K235-N262 WeakPolarHBondContact CD-OD1 3.44Å; K235-N262 WeakPolarHBondContact CE-ND2 3.45Å; K235-N262 WeakPolarHBondContact CE-OD1 3.15Å; K235-N262 PolarHBondContact NZ-OD1 3.06Å
236L74.1Confident71.4Confident19 Ų1958.4 Ų58.410%0.09930%0.298CS..Hα-helixtrans-87.9-30.5-177.7-68.5166.9000113.5F193 V197 E207 L211 Y232 K233 K238F193-L236 HydrophobicContact CE2-CD1 3.98Å; F193-L236 HydrophobicContact CE2-CD2 4.32Å; F193-L236 HydrophobicContact CE2-CG 4.18Å; F193-L236 HydrophobicContact CZ-CD1 4.09Å; F193-L236 HydrophobicContact CZ-CD2 4.2Å; F193-L236 HydrophobicContact CZ-CG 3.88Å; V197-L236 HydrophobicContact CG2-CD2 4Å; E207-L236 HydrophobicContact CB-CD2 4.09Å; E207-L236 VanDerWaalsContact CD-CD2 3.45Å; E207-L236 HydrophobicContact CG-CD2 3.78Å; L211-L236 HydrophobicContact CD1-CD1 3.54Å; L211-L236 HydrophobicContact CD2-CD1 3.74Å; L211-L236 HydrophobicContact CG-CD1 3.6Å; Y232-L236 WeakPolarHBondContact O-CB 3.16Å; Y232-L236 WeakPolarHBondContact O-CD1 3.45Å; Y232-L236 VanDerWaalsContact O-CG 3.25Å; Y232-L236 WeakPolarHBondContact O-CG 3.33Å; Y232-L236 PolarHBondContact O-N 3.4Å; K233-L236 PolarHBondContact O-N 2.75Å; L236-K238 PolarHBondContact O-N 3.08Å
237N63.7Low71Confident52 Ų5256.1 Ų56.128%0.27829%0.293SS..  trans-76.963.2-171.1-162.112.4000112.7K233 S240 T244 R266K233-N237 WeakPolarHBondContact O-CB 3.31Å; K233-N237 PolarHBondContact O-N 3.24Å; N237-S240 PolarHBondContact ND2-OG 3.34Å; N237-S240 WeakPolarHBondContact OD1-CB 3.47Å; N237-S240 PolarHBondContact OD1-OG 3.37Å; N237-T244 HydrophobicContact CB-CG2 4.44Å; N237-R266 WeakPolarHBondContact O-CD 3.35Å
238K58.4Low70.3Confident35 Ų3557 Ų5715%0.15231%0.312CS..  trans-81.1-28.7-175.4-64.5169.1-173.6161.20112.4K235 L236K235-K238 WeakPolarHBondContact O-CE 3.08Å; L236-K238 PolarHBondContact O-N 3.08Å
239N53.3Low69.8Low126 Ų12661.9 Ų61.967%0.67433%0.333SS*.SBendtrans-100.2-7.9-169.2-65.8-10.6000114.8
240S54.1Low69.5Low35 Ų3560.3 Ų60.325%0.24533%0.325CS..  trans-95.7131.1-17975.30000111.8N237 S242N237-S240 PolarHBondContact ND2-OG 3.34Å; N237-S240 WeakPolarHBondContact OD1-CB 3.47Å; N237-S240 PolarHBondContact OD1-OG 3.37Å; S240-S242 VanDerWaalsContact CB-OG 3.26Å; S240-S242 WeakPolarHBondContact CB-OG 3.27Å; S240-S242 PolarHBondContact O-N 3.05Å; S240-S242 PolarHBondContact OG-OG 3.48Å
241V53.6Low69.1Low92 Ų9264.2 Ų64.256%0.55835%0.347SS*.  trans-62.7-18170-178.60000111.1E243 L460V241-E243 PolarHBondContact O-N 3.31Å; V241-E243 VanDerWaalsContact O-N 3.14Å; V241-L460 HydrophobicContact CG2-CD2 3.76Å
242S55.9Low68.9Low74 Ų7467.7 Ų67.752%0.51737%0.371SS..SBendtrans-67.8111.9179.147.40000111.4S240 T244S240-S242 VanDerWaalsContact CB-OG 3.26Å; S240-S242 WeakPolarHBondContact CB-OG 3.27Å; S240-S242 PolarHBondContact O-N 3.05Å; S240-S242 PolarHBondContact OG-OG 3.48Å; S242-T244 PolarHBondContact O-N 3.46Å; S242-T244 VanDerWaalsContact O-N 3.14Å
243E58.4Low68.7Low141 Ų14168.9 Ų68.966%0.65938%0.378SS*.  trans-52.3118.7166.5-64.5-174148.100109.4V241 K245V241-E243 PolarHBondContact O-N 3.31Å; V241-E243 VanDerWaalsContact O-N 3.14Å; E243-K245 PolarHBondContact O-N 3.47Å
244T60.5Low68.7Low34 Ų3467.8 Ų67.821%0.20938%0.379CS..  trans-65102.8168.344.60000107.1D234 N237 S242 V246 R266D234-T244 PolarHBondContact OD1-OG1 3.17Å; N237-T244 HydrophobicContact CB-CG2 4.44Å; S242-T244 PolarHBondContact O-N 3.46Å; S242-T244 VanDerWaalsContact O-N 3.14Å; T244-V246 PolarHBondContact O-N 3.21Å; T244-R266 PolarHBondContact OG1-NH1 3.33Å; T244-R266 PolarHBondContact OG1-NH2 3.42Å
245K67.7Low68.8Low179 Ų17974 Ų7478%0.77841%0.411SS*.PPolyproline II helixtrans-67.7120.5172.6-68.2-176179.7-179.40107.7E243E243-K245 PolarHBondContact O-N 3.47Å
246V69.2Low69.2Low28 Ų2875.4 Ų75.417%0.1742%0.421CS..PPolyproline II helixtrans-57.7130.2170.3-177.30000107.4F230 T244 G248 F250 T254F230-V246 HydrophobicContact CE1-CG2 4.41Å; F230-V246 HydrophobicContact CZ-CB 4.23Å; F230-V246 HydrophobicContact CZ-CG1 4.41Å; F230-V246 HydrophobicContact CZ-CG2 3.8Å; T244-V246 PolarHBondContact O-N 3.21Å; V246-G248 PolarHBondContact O-N 2.66Å; V246-F250 HydrophobicContact CG1-CB 4.12Å; V246-F250 WeakPolarHBondContact CG1-O 3.45Å; V246-T254 HydrophobicContact CB-CG2 4.2Å; V246-T254 HydrophobicContact CG1-CG2 4.5Å; V246-T254 HydrophobicContact CG2-CG2 3.86Å
247P73.4Confident69.9Low49 Ų4976.5 Ų76.532%0.31843%0.428SS..PPolyproline II helixtrans-57.5135.5173.3-2231.9000109.6F230 E249 F250F230-P247 HydrophobicContact CD2-CG 4.13Å; F230-P247 HydrophobicContact CG-CG 4.36Å; P247-E249 PolarHBondContact O-N 3.46Å; P247-F250 HydrophobicContact CB-CD2 4.13Å; P247-F250 HydrophobicContact CG-CD2 4.31Å; P247-F250 PolarHBondContact O-N 3.05Å
248G72Confident71Confident58 Ų5877.1 Ų77.160%0.59843%0.431SS*.G310 helixtrans-58.5-18.5-175.100000115V246 F250 D251V246-G248 PolarHBondContact O-N 2.66Å; G248-F250 PolarHBondContact O-N 3.3Å; G248-D251 WeakPolarHBondContact CA-OD1 3.49Å
249E72.1Confident72.3Confident114 Ų11476 Ų7653%0.53343%0.428SS..G310 helixtrans-63.1-21.6172.2-63.5175.2-16400112.4K226 P247K226-E249 IonicContact NZ-OE1 2.59Å; K226-E249 PolarHBondContact NZ-OE1 3.28Å; K226-E249 VanDerWaalsContact NZ-OE1 3.08Å; K226-E249 IonicContact NZ-OE2 3.83Å; P247-E249 PolarHBondContact O-N 3.46Å
250F77Confident74Confident31 Ų3171.8 Ų71.814%0.13640%0.404CS..G310 helixtrans-125.433.3-172.3-54.2-64.9000113.5L227 V246 P247 G248 T252 L253L227-F250 HydrophobicContact CB-CE1 4.49Å; L227-F250 HydrophobicContact CB-CE2 4.33Å; L227-F250 HydrophobicContact CB-CZ 3.99Å; L227-F250 HydrophobicContact CD1-CD1 4.35Å; L227-F250 HydrophobicContact CD1-CE1 3.98Å; L227-F250 HydrophobicContact CD1-CZ 4.32Å; V246-F250 HydrophobicContact CG1-CB 4.12Å; V246-F250 WeakPolarHBondContact CG1-O 3.45Å; P247-F250 HydrophobicContact CB-CD2 4.13Å; P247-F250 HydrophobicContact CG-CD2 4.31Å; P247-F250 PolarHBondContact O-N 3.05Å; G248-F250 PolarHBondContact O-N 3.3Å; F250-T252 PolarHBondContact O-N 3.4Å; F250-L253 HydrophobicContact CB-CB 4.37Å; F250-L253 HydrophobicContact CB-CD1 3.61Å; F250-L253 HydrophobicContact CB-CG 3.93Å; F250-L253 HydrophobicContact CD1-CD1 4.32Å; F250-L253 HydrophobicContact CG-CD1 4Å; F250-L253 VanDerWaalsContact O-CB 3.32Å; F250-L253 WeakPolarHBondContact O-CB 3.44Å; F250-L253 PolarHBondContact O-N 3.25Å
251D74.9Confident75.7Confident103 Ų10370.1 Ų70.155%0.55139%0.393SS*.G310 helixtrans-52.5-28.7-178.9-75.3-16.3000113.5G248 L253 T254G248-D251 WeakPolarHBondContact CA-OD1 3.49Å; D251-L253 VanDerWaalsContact C-N 3.26Å; D251-L253 PolarHBondContact O-N 2.98Å; D251-T254 WeakPolarHBondContact O-CB 3.49Å; D251-T254 WeakPolarHBondContact O-CG2 3.32Å; D251-T254 PolarHBondContact O-N 3.13Å; D251-T254 PolarHBondContact O-OG1 3.32Å
252T81Confident77.2Confident121 Ų12166.1 Ų66.174%0.74237%0.368SS*.G310 helixtrans-64.9-24.4175.554.20000113.9F250 T254F250-T252 PolarHBondContact O-N 3.4Å; T252-T254 PolarHBondContact O-N 2.86Å
253L82.1Confident78.7Confident35 Ų3566.7 Ų66.718%0.18336%0.361CS..G310 helixtrans-73.4-12.9178-66.5-177.9000113.3L227 F250 D251 N255 N256L227-L253 HydrophobicContact CD1-CD1 4.4Å; F250-L253 HydrophobicContact CB-CB 4.37Å; F250-L253 HydrophobicContact CB-CD1 3.61Å; F250-L253 HydrophobicContact CB-CG 3.93Å; F250-L253 HydrophobicContact CD1-CD1 4.32Å; F250-L253 HydrophobicContact CG-CD1 4Å; F250-L253 VanDerWaalsContact O-CB 3.32Å; F250-L253 WeakPolarHBondContact O-CB 3.44Å; F250-L253 PolarHBondContact O-N 3.25Å; D251-L253 VanDerWaalsContact C-N 3.26Å; D251-L253 PolarHBondContact O-N 2.98Å; L253-N255 PolarHBondContact O-N 2.87Å; L253-N256 VanDerWaalsContact O-CB 3.23Å; L253-N256 WeakPolarHBondContact O-CB 3.48Å; L253-N256 PolarHBondContact O-N 3.34Å
254T80.3Confident80.1Confident67 Ų6760 Ų6041%0.41133%0.33SS..G310 helixtrans-58.8-29.6175.854.80000112.6V246 D251 T252V246-T254 HydrophobicContact CB-CG2 4.2Å; V246-T254 HydrophobicContact CG1-CG2 4.5Å; V246-T254 HydrophobicContact CG2-CG2 3.86Å; D251-T254 WeakPolarHBondContact O-CB 3.49Å; D251-T254 WeakPolarHBondContact O-CG2 3.32Å; D251-T254 PolarHBondContact O-N 3.13Å; D251-T254 PolarHBondContact O-OG1 3.32Å; T252-T254 PolarHBondContact O-N 2.86Å
255N83.9Confident81.2Confident133 Ų13358.9 Ų58.971%0.71133%0.325SS*.G310 helixtrans-89.8-1.3177.2-67-26.7000113.4L253 V257L253-N255 PolarHBondContact O-N 2.87Å; N255-V257 PolarHBondContact O-N 2.76Å
256N87.9Confident81.9Confident58 Ų5851.9 Ų51.931%0.3129%0.294SS..  trans-67.4132.4178.8-172.46.3000110.1L253 D258 V259 I260L253-N256 VanDerWaalsContact O-CB 3.23Å; L253-N256 WeakPolarHBondContact O-CB 3.48Å; L253-N256 PolarHBondContact O-N 3.34Å; N256-D258 PolarHBondContact O-N 3.04Å; N256-V259 HydrophobicContact CB-CG2 4.23Å; N256-V259 PolarHBondContact O-N 3.42Å; N256-I260 VanDerWaalsContact O-CG1 3.31Å; N256-I260 WeakPolarHBondContact O-CG1 3.39Å; N256-I260 PolarHBondContact O-N 3Å; N256-I260 VanDerWaalsContact O-N 3.12Å
257V89.5Confident82.6Confident42 Ų4251.8 Ų51.826%0.25529%0.292SS..Hα-helixtrans-53.7-42.6-178.6177.40000111N255 V259 I260 V261 L283 N290N255-V257 PolarHBondContact O-N 2.76Å; V257-V259 PolarHBondContact O-N 3.25Å; V257-I260 PolarHBondContact O-N 3.45Å; V257-V261 HydrophobicContact CG1-CG2 4.16Å; V257-V261 WeakPolarHBondContact O-CB 3.22Å; V257-V261 VanDerWaalsContact O-CG2 3.22Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.44Å; V257-L283 HydrophobicContact CG1-CD2 4.19Å; V257-L283 HydrophobicContact CG2-CD2 4.36Å; V257-N290 WeakPolarHBondContact CG1-ND2 3.25Å
258D85.8Confident83.1Confident64 Ų6449.7 Ų49.734%0.34228%0.278SS..Hα-helixtrans-63.2-43.4-179-75.7-49.2000114K235 N256 I260 V261 N262K235-D258 IonicContact NZ-OD1 2.68Å; N256-D258 PolarHBondContact O-N 3.04Å; D258-I260 VanDerWaalsContact C-N 3.3Å; D258-V261 PolarHBondContact O-N 3.42Å; D258-N262 WeakPolarHBondContact O-CB 3.24Å; D258-N262 PolarHBondContact O-N 3.08Å; D258-N262 PolarHBondContact O-ND2 3.4Å; D258-N262 PolarHBondContact O-OD1 3.45Å
259V86.5Confident83.3Confident13 Ų1349.4 Ų49.48%0.07926%0.262CS..Hα-helixtrans-66.6-39.4179.5179.80000109.6L231 N256 V257 N262 K263L231-V259 HydrophobicContact CD2-CG2 4.39Å; N256-V259 HydrophobicContact CB-CG2 4.23Å; N256-V259 PolarHBondContact O-N 3.42Å; V257-V259 PolarHBondContact O-N 3.25Å; V259-N262 PolarHBondContact O-N 2.72Å; V259-K263 WeakPolarHBondContact O-CB 3.4Å; V259-K263 PolarHBondContact O-N 3.3Å
260I88.7Confident83.6Confident37 Ų3745.2 Ų45.219%0.1925%0.245CC..Hα-helixtrans-67.1-41.7176.3-60.5169.4000110.8N256 V257 D258 K263 A264 I279 L283N256-I260 VanDerWaalsContact O-CG1 3.31Å; N256-I260 WeakPolarHBondContact O-CG1 3.39Å; N256-I260 PolarHBondContact O-N 3Å; N256-I260 VanDerWaalsContact O-N 3.12Å; V257-I260 PolarHBondContact O-N 3.45Å; D258-I260 VanDerWaalsContact C-N 3.3Å; I260-K263 WeakPolarHBondContact O-CB 3.22Å; I260-K263 PolarHBondContact O-N 3.24Å; I260-A264 WeakPolarHBondContact O-CB 3.02Å; I260-A264 PolarHBondContact O-N 2.82Å; I260-I279 HydrophobicContact CG2-CG2 3.18Å; I260-L283 HydrophobicContact CB-CD1 4.06Å; I260-L283 HydrophobicContact CB-CD2 4.14Å; I260-L283 HydrophobicContact CB-CG 4.46Å; I260-L283 HydrophobicContact CD1-CD2 4.04Å; I260-L283 HydrophobicContact CG2-CD1 3.52Å; I260-L283 HydrophobicContact CG2-CD2 3.9Å; I260-L283 HydrophobicContact CG2-CG 3.77Å
261V89Confident83.6Confident0 Ų044 Ų440%024%0.24CC..Hα-helixtrans-62.6-42.3175.3169.10000110.9V257 D258 K263 A264 G265 L283 A292 C293 I296V257-V261 HydrophobicContact CG1-CG2 4.16Å; V257-V261 WeakPolarHBondContact O-CB 3.22Å; V257-V261 VanDerWaalsContact O-CG2 3.22Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.44Å; D258-V261 PolarHBondContact O-N 3.42Å; V261-K263 VanDerWaalsContact C-N 3.34Å; V261-K263 PolarHBondContact O-N 3.34Å; V261-A264 WeakPolarHBondContact O-CB 3.38Å; V261-A264 PolarHBondContact O-N 3.11Å; V261-G265 PolarHBondContact O-N 3.41Å; V261-L283 HydrophobicContact CG2-CD1 3.67Å; V261-A292 HydrophobicContact CG1-CB 4.2Å; V261-C293 HydrophobicContact CG2-CB 3.79Å; V261-I296 HydrophobicContact CG1-CD1 3.85Å
262N86.1Confident83.9Confident8 Ų843.3 Ų43.34%0.04323%0.23CC..Hα-helixtrans-64.9-38.3175-65.4-11.7000111.9D234 K235 D258 V259 G265 R266D234-N262 VanDerWaalsContact OD2-CB 3.28Å; D234-N262 WeakPolarHBondContact OD2-CB 3.25Å; D234-N262 PolarHBondContact OD2-ND2 2.6Å; K235-N262 WeakPolarHBondContact CD-ND2 3.09Å; K235-N262 VanDerWaalsContact CD-OD1 3.29Å; K235-N262 WeakPolarHBondContact CD-OD1 3.44Å; K235-N262 WeakPolarHBondContact CE-ND2 3.45Å; K235-N262 WeakPolarHBondContact CE-OD1 3.15Å; K235-N262 PolarHBondContact NZ-OD1 3.06Å; D258-N262 WeakPolarHBondContact O-CB 3.24Å; D258-N262 PolarHBondContact O-N 3.08Å; D258-N262 PolarHBondContact O-ND2 3.4Å; D258-N262 PolarHBondContact O-OD1 3.45Å; V259-N262 PolarHBondContact O-N 2.72Å; N262-G265 PolarHBondContact O-N 2.77Å; N262-R266 WeakPolarHBondContact O-CG 3.08Å; N262-R266 PolarHBondContact O-N 2.83Å; N262-R266 PolarHBondContact O-NE 3.29Å
263K86.5Confident84.1Confident86 Ų8638.2 Ų38.237%0.37420%0.197SC..Hα-helixtrans-63.1-43.7172.5-177173.9-179.7169.20111.4V259 I260 V261 R266 M267 I279V259-K263 WeakPolarHBondContact O-CB 3.4Å; V259-K263 PolarHBondContact O-N 3.3Å; I260-K263 WeakPolarHBondContact O-CB 3.22Å; I260-K263 PolarHBondContact O-N 3.24Å; V261-K263 VanDerWaalsContact C-N 3.34Å; V261-K263 PolarHBondContact O-N 3.34Å; K263-R266 PolarHBondContact O-N 3.41Å; K263-M267 HydrophobicContact CD-CE 4.46Å; K263-M267 VanDerWaalsContact CE-CE 3.49Å; K263-M267 HydrophobicContact CG-CE 4.26Å; K263-M267 WeakPolarHBondContact O-CG 3.37Å; K263-M267 PolarHBondContact O-N 3.31Å; K263-I279 HydrophobicContact CD-CD1 4.24Å; K263-I279 HydrophobicContact CG-CD1 4.31Å
264A88.1Confident84.4Confident1 Ų141.9 Ų41.91%0.00821%0.214CC..Hα-helixtrans-61.9-43.8175.200000111.5I260 V261 R266 M267 L268 C276 I279 T280 I296I260-A264 WeakPolarHBondContact O-CB 3.02Å; I260-A264 PolarHBondContact O-N 2.82Å; V261-A264 WeakPolarHBondContact O-CB 3.38Å; V261-A264 PolarHBondContact O-N 3.11Å; A264-R266 PolarHBondContact O-N 3.45Å; A264-M267 PolarHBondContact O-N 3.02Å; A264-L268 PolarHBondContact O-N 3.22Å; A264-C276 PolarHBondContact O-SG 2.96Å; A264-I279 HydrophobicContact CB-CG2 4.1Å; A264-T280 HydrophobicContact CB-CG2 3.88Å; A264-I296 HydrophobicContact CB-CG2 4.26Å
265G84.1Confident84.8Confident9 Ų942.5 Ų42.59%0.09321%0.212CC..Hα-helixtrans-56.2-46.6174.100000112.7V261 N262 M267 L268 D269V261-G265 PolarHBondContact O-N 3.41Å; N262-G265 PolarHBondContact O-N 2.77Å; G265-M267 PolarHBondContact O-N 3.45Å; G265-L268 WeakPolarHBondContact O-CB 3.47Å; G265-L268 PolarHBondContact O-N 3Å; G265-D269 PolarHBondContact O-N 3.3Å
266R82Confident85.1Confident33 Ų3336.2 Ų36.213%0.12518%0.178CC..Hα-helixtrans-62.2-42174.9-73.3177.2-76-179-14112.8D234 N237 T244 N262 K263 A264 L268 D269 V270D234-R266 IonicContact OD1-CZ 3.62Å; D234-R266 IonicContact OD1-NH1 3.66Å; D234-R266 IonicContact OD1-NH2 2.72Å; D234-R266 PolarHBondContact OD1-NH2 3.05Å; D234-R266 IonicContact OD2-NH2 3.8Å; N237-R266 WeakPolarHBondContact O-CD 3.35Å; T244-R266 PolarHBondContact OG1-NH1 3.33Å; T244-R266 PolarHBondContact OG1-NH2 3.42Å; N262-R266 WeakPolarHBondContact O-CG 3.08Å; N262-R266 PolarHBondContact O-N 2.83Å; N262-R266 PolarHBondContact O-NE 3.29Å; K263-R266 PolarHBondContact O-N 3.41Å; A264-R266 PolarHBondContact O-N 3.45Å; R266-L268 VanDerWaalsContact C-N 3.27Å; R266-L268 PolarHBondContact O-N 2.84Å; R266-D269 PolarHBondContact O-N 3.24Å; R266-V270 VanDerWaalsContact O-CG2 3.27Å; R266-V270 WeakPolarHBondContact O-CG2 3.37Å; R266-V270 PolarHBondContact O-N 3.47Å
267M83.4Confident85.3Confident25 Ų2534.8 Ų34.812%0.12317%0.169CC..Hα-helixtrans-63-36.1176.7-74.2179.3165.900112.2K263 A264 G265 V270 C271 R272 E275 C276 I279K263-M267 HydrophobicContact CD-CE 4.46Å; K263-M267 VanDerWaalsContact CE-CE 3.49Å; K263-M267 HydrophobicContact CG-CE 4.26Å; K263-M267 WeakPolarHBondContact O-CG 3.37Å; K263-M267 PolarHBondContact O-N 3.31Å; A264-M267 PolarHBondContact O-N 3.02Å; G265-M267 PolarHBondContact O-N 3.45Å; M267-V270 PolarHBondContact O-N 2.97Å; M267-C271 PolarHBondContact O-N 3.18Å; M267-C271 VanDerWaalsContact O-N 3.13Å; M267-R272 PolarHBondContact O-N 2.98Å; M267-E275 HydrophobicContact CE-CB 4.22Å; M267-E275 HydrophobicContact SD-CB 3.81Å; M267-C276 HydrophobicContact CB-CB 3.98Å; M267-I279 HydrophobicContact CE-CD1 3.76Å; M267-I279 HydrophobicContact SD-CD1 3.36Å; M267-I279 WeakPolarHBondContact SD-CD1 3.38Å; M267-I279 HydrophobicContact SD-CG1 4.45Å
268L83.5Confident85.6Confident5 Ų536.1 Ų36.13%0.02618%0.175CC..Hα-helixtrans-65-43.6173.4-177.8134.7000111.7A264 G265 R266 V270 C271 I296 S299 V300A264-L268 PolarHBondContact O-N 3.22Å; G265-L268 WeakPolarHBondContact O-CB 3.47Å; G265-L268 PolarHBondContact O-N 3Å; R266-L268 VanDerWaalsContact C-N 3.27Å; R266-L268 PolarHBondContact O-N 2.84Å; L268-V270 VanDerWaalsContact C-N 3.32Å; L268-V270 PolarHBondContact O-N 3.43Å; L268-C271 WeakPolarHBondContact O-CA 3.41Å; L268-C271 PolarHBondContact O-N 3.18Å; L268-I296 HydrophobicContact CD1-CG2 4.32Å; L268-S299 WeakPolarHBondContact CD1-OG 3.37Å; L268-V300 HydrophobicContact CD1-CG2 3.8Å
269D76.7Confident85.9Confident52 Ų5234.1 Ų34.128%0.27816%0.163SC..Hα-helixtrans-62.9-39176.4-67.6-29.4000111.6G265 R266 C271G265-D269 PolarHBondContact O-N 3.3Å; R266-D269 PolarHBondContact O-N 3.24Å; D269-C271 PolarHBondContact O-N 3.33Å
270V78.9Confident86.2Confident26 Ų2633.5 Ų33.516%0.15816%0.16CC..THydrogen-bonded Turntrans-74.4-3174.4-179.20000112.6R266 M267 L268 R272 L460R266-V270 VanDerWaalsContact O-CG2 3.27Å; R266-V270 WeakPolarHBondContact O-CG2 3.37Å; R266-V270 PolarHBondContact O-N 3.47Å; M267-V270 PolarHBondContact O-N 2.97Å; L268-V270 VanDerWaalsContact C-N 3.32Å; L268-V270 PolarHBondContact O-N 3.43Å; V270-R272 VanDerWaalsContact C-N 3.32Å; V270-R272 HydrophobicContact CG1-CG 4.13Å; V270-R272 PolarHBondContact O-N 2.93Å; V270-L460 HydrophobicContact CG1-CB 4.02Å; V270-L460 HydrophobicContact CG1-CD2 4.09Å; V270-L460 WeakPolarHBondContact CG1-O 3.44Å; V270-L460 HydrophobicContact CG2-CD2 4.31Å
271C76.1Confident86.4Confident7 Ų732.8 Ų32.85%0.04716%0.158CC..THydrogen-bonded Turntrans65.326.3-179.9-56.30000114.9M267 L268 D269 F273 F428 F468M267-C271 PolarHBondContact O-N 3.18Å; M267-C271 VanDerWaalsContact O-N 3.13Å; L268-C271 WeakPolarHBondContact O-CA 3.41Å; L268-C271 PolarHBondContact O-N 3.18Å; D269-C271 PolarHBondContact O-N 3.33Å; C271-F273 VanDerWaalsContact C-N 3.34Å; C271-F273 HydrophobicContact CB-CE2 4.07Å; C271-F273 HydrophobicContact CB-CZ 3.88Å; C271-F273 WeakPolarHBondContact O-CD2 3.13Å; C271-F273 PolarHBondContact O-N 3.18Å; C271-F428 WeakPolarHBondContact SG-CZ 3.36Å; C271-F468 HydrophobicContact CB-CD1 4.47Å; C271-F468 HydrophobicContact CB-CE1 4.45Å
272R82.5Confident86.6Confident88 Ų8840.4 Ų40.433%0.33219%0.187SC..  trans-8971.3171.7-63.9-171.6-170.6-176.92.6110.8M267 V270 Q274 E275 C276 L460M267-R272 PolarHBondContact O-N 2.98Å; V270-R272 VanDerWaalsContact C-N 3.32Å; V270-R272 HydrophobicContact CG1-CG 4.13Å; V270-R272 PolarHBondContact O-N 2.93Å; R272-Q274 VanDerWaalsContact C-N 3.35Å; R272-Q274 PolarHBondContact O-N 3.26Å; R272-E275 HydrophobicContact CB-CB 4.33Å; R272-E275 VanDerWaalsContact CD-OE2 3.31Å; R272-E275 WeakPolarHBondContact CD-OE2 2.79Å; R272-E275 IonicContact NH1-OE1 2.86Å; R272-E275 IonicContact NH1-OE2 3.99Å; R272-E275 PolarHBondContact O-N 3.33Å; R272-C276 WeakPolarHBondContact O-CB 3.12Å; R272-C276 PolarHBondContact O-N 2.75Å; R272-L460 PolarHBondContact NE-O 3.41Å; R272-L460 PolarHBondContact NH2-O 3.33Å
273F84.5Confident86.8Confident13 Ų1340.5 Ų40.56%0.05719%0.187CC..Hα-helixtrans-62.5-36.7-172.6-54.6-60.6000113.8C271 Y277 V300 E303 L304 F468C271-F273 VanDerWaalsContact C-N 3.34Å; C271-F273 HydrophobicContact CB-CE2 4.07Å; C271-F273 HydrophobicContact CB-CZ 3.88Å; C271-F273 WeakPolarHBondContact O-CD2 3.13Å; C271-F273 PolarHBondContact O-N 3.18Å; F273-Y277 WeakPolarHBondContact O-CB 3.14Å; F273-Y277 PolarHBondContact O-N 2.88Å; F273-V300 HydrophobicContact CB-CG1 4.49Å; F273-V300 WeakPolarHBondContact O-CG1 3.17Å; F273-E303 HydrophobicContact CD1-CB 3.75Å; F273-E303 HydrophobicContact CD1-CG 3.73Å; F273-E303 HydrophobicContact CD2-CB 4.49Å; F273-E303 HydrophobicContact CE1-CB 4.04Å; F273-E303 HydrophobicContact CE1-CG 3.62Å; F273-E303 WeakPolarHBondContact CE1-OE2 3.09Å; F273-E303 HydrophobicContact CG-CB 4Å; F273-E303 HydrophobicContact CG-CG 4.46Å; F273-E303 HydrophobicContact CZ-CG 4.27Å; F273-E303 WeakPolarHBondContact CZ-OE2 2.99Å; F273-L304 HydrophobicContact CB-CD2 3.63Å; F273-L304 HydrophobicContact CB-CG 4.12Å; F273-F468 HydrophobicContact CE2-CD1 4.23Å; F273-F468 HydrophobicContact CE2-CE1 4.45Å; F273-F468 HydrophobicContact CE2-CG 4.27Å
274Q88.4Confident86.9Confident112 Ų11237.9 Ų37.952%0.52318%0.177SC..Hα-helixtrans-68.8-47.1-179.8-63.6-65.2-8.500112.1R272 C276 Y277 D278 L304R272-Q274 VanDerWaalsContact C-N 3.35Å; R272-Q274 PolarHBondContact O-N 3.26Å; Q274-C276 VanDerWaalsContact C-N 3.3Å; Q274-C276 PolarHBondContact O-N 2.81Å; Q274-Y277 WeakPolarHBondContact O-CB 3.48Å; Q274-Y277 PolarHBondContact O-N 2.75Å; Q274-Y277 VanDerWaalsContact O-N 3.13Å; Q274-D278 PolarHBondContact O-N 3.42Å; Q274-L304 HydrophobicContact CG-CD2 4.4Å; Q274-L304 VanDerWaalsContact NE2-CD2 3.33Å
275E88.6Confident87Confident81 Ų8145.5 Ų45.538%0.37921%0.212SC..Hα-helixtrans-61.2-41.8175.8-65.4177.5-163.800111M267 R272 Y277 D278 I279M267-E275 HydrophobicContact CE-CB 4.22Å; M267-E275 HydrophobicContact SD-CB 3.81Å; R272-E275 HydrophobicContact CB-CB 4.33Å; R272-E275 VanDerWaalsContact CD-OE2 3.31Å; R272-E275 WeakPolarHBondContact CD-OE2 2.79Å; R272-E275 IonicContact NH1-OE1 2.86Å; R272-E275 IonicContact NH1-OE2 3.99Å; R272-E275 PolarHBondContact O-N 3.33Å; E275-Y277 VanDerWaalsContact C-N 3.32Å; E275-Y277 PolarHBondContact O-N 3.09Å; E275-D278 PolarHBondContact O-N 2.97Å; E275-I279 WeakPolarHBondContact O-CG1 3.19Å; E275-I279 PolarHBondContact O-N 3.25Å; E275-I279 VanDerWaalsContact O-N 3.09Å
276C90.2Very high87.3Confident0 Ų049.3 Ų49.30%024%0.237CC..Hα-helixtrans-63.2-38.2175.5-167.70000112.1A264 M267 R272 Q274 I279 T280 V300A264-C276 PolarHBondContact O-SG 2.96Å; M267-C276 HydrophobicContact CB-CB 3.98Å; R272-C276 WeakPolarHBondContact O-CB 3.12Å; R272-C276 PolarHBondContact O-N 2.75Å; Q274-C276 VanDerWaalsContact C-N 3.3Å; Q274-C276 PolarHBondContact O-N 2.81Å; C276-I279 PolarHBondContact O-N 3.23Å; C276-T280 WeakPolarHBondContact O-CB 3.23Å; C276-T280 VanDerWaalsContact O-CG2 3.26Å; C276-T280 WeakPolarHBondContact O-CG2 3.04Å; C276-T280 PolarHBondContact O-N 2.75Å; C276-T280 PolarHBondContact O-OG1 3.48Å; C276-V300 HydrophobicContact CB-CG2 3.89Å; C276-V300 WeakPolarHBondContact SG-CG2 3.19Å
277Y93.2Very high87.6Confident28 Ų2850.6 Ų50.611%0.1125%0.247CC..Hα-helixtrans-64.2-45176175.4-97.5000111.5F273 Q274 E275 I279 T280 S281 V300 L301 L304 K306 E309F273-Y277 WeakPolarHBondContact O-CB 3.14Å; F273-Y277 PolarHBondContact O-N 2.88Å; Q274-Y277 WeakPolarHBondContact O-CB 3.48Å; Q274-Y277 PolarHBondContact O-N 2.75Å; Q274-Y277 VanDerWaalsContact O-N 3.13Å; E275-Y277 VanDerWaalsContact C-N 3.32Å; E275-Y277 PolarHBondContact O-N 3.09Å; Y277-I279 VanDerWaalsContact C-N 3.28Å; Y277-I279 PolarHBondContact O-N 3.47Å; Y277-T280 PolarHBondContact O-N 3.28Å; Y277-T280 PolarHBondContact O-OG1 3.11Å; Y277-S281 WeakPolarHBondContact O-CB 3.39Å; Y277-S281 PolarHBondContact O-N 3.18Å; Y277-S281 PolarHBondContact O-OG 3.33Å; Y277-V300 HydrophobicContact CD2-CG1 4.35Å; Y277-V300 HydrophobicContact CG-CG1 4.46Å; Y277-L301 HydrophobicContact CD2-CD2 4.13Å; Y277-L301 HydrophobicContact CE2-CD2 3.66Å; Y277-L304 HydrophobicContact CD2-CD1 4.08Å; Y277-L304 HydrophobicContact CG-CD1 3.83Å; Y277-K306 VanDerWaalsContact CD1-NZ 3.33Å; Y277-K306 HydrophobicContact CD2-CD 4.37Å; Y277-K306 HydrophobicContact CE2-CD 3.84Å; Y277-K306 PolarHBondContact OH-NZ 3.02Å; Y277-E309 WeakPolarHBondContact CE2-OE2 3.49Å; Y277-E309 VanDerWaalsContact CZ-OE2 3.31Å; Y277-E309 PolarHBondContact OH-OE1 3.28Å; Y277-E309 PolarHBondContact OH-OE2 3.29Å
278D94.1Very high87.7Confident71 Ų7152 Ų5238%0.3826%0.258SS..Hα-helixtrans-64.7-35.1-179.7-68.4-18000112.1Q274 E275 S281 R282Q274-D278 PolarHBondContact O-N 3.42Å; E275-D278 PolarHBondContact O-N 2.97Å; D278-S281 WeakPolarHBondContact CA-OG 3.49Å; D278-S281 PolarHBondContact O-OG 3.08Å; D278-R282 VanDerWaalsContact O-CG 3.25Å; D278-R282 WeakPolarHBondContact O-CG 3.36Å; D278-R282 PolarHBondContact O-N 3.48Å; D278-R282 PolarHBondContact O-NE 3.34Å
279I92.5Very high87.8Confident21 Ų2157 Ų5711%0.10828%0.277CS..Hα-helixtrans-71.4-51.4175.2-69-178.5000110.9I260 K263 A264 M267 E275 C276 Y277 S281 R282 L283I260-I279 HydrophobicContact CG2-CG2 3.18Å; K263-I279 HydrophobicContact CD-CD1 4.24Å; K263-I279 HydrophobicContact CG-CD1 4.31Å; A264-I279 HydrophobicContact CB-CG2 4.1Å; M267-I279 HydrophobicContact CE-CD1 3.76Å; M267-I279 HydrophobicContact SD-CD1 3.36Å; M267-I279 WeakPolarHBondContact SD-CD1 3.38Å; M267-I279 HydrophobicContact SD-CG1 4.45Å; E275-I279 WeakPolarHBondContact O-CG1 3.19Å; E275-I279 PolarHBondContact O-N 3.25Å; E275-I279 VanDerWaalsContact O-N 3.09Å; C276-I279 PolarHBondContact O-N 3.23Å; Y277-I279 VanDerWaalsContact C-N 3.28Å; Y277-I279 PolarHBondContact O-N 3.47Å; I279-S281 PolarHBondContact O-N 2.77Å; I279-R282 PolarHBondContact O-N 2.75Å; I279-L283 HydrophobicContact CG2-CD1 4.42Å; I279-L283 PolarHBondContact O-N 2.78Å
280T93Very high88.4Confident0 Ų055.6 Ų55.60%027%0.269CS..Hα-helixtrans-66.9-36.2-176.754.90000112.1A264 C276 Y277 L283 M284 I296 H297A264-T280 HydrophobicContact CB-CG2 3.88Å; C276-T280 WeakPolarHBondContact O-CB 3.23Å; C276-T280 VanDerWaalsContact O-CG2 3.26Å; C276-T280 WeakPolarHBondContact O-CG2 3.04Å; C276-T280 PolarHBondContact O-N 2.75Å; C276-T280 PolarHBondContact O-OG1 3.48Å; Y277-T280 PolarHBondContact O-N 3.28Å; Y277-T280 PolarHBondContact O-OG1 3.11Å; T280-L283 PolarHBondContact O-N 3.42Å; T280-M284 WeakPolarHBondContact O-CB 3.39Å; T280-M284 WeakPolarHBondContact O-CG 3.26Å; T280-M284 PolarHBondContact O-N 3.19Å; T280-I296 HydrophobicContact CG2-CG2 4.01Å; T280-H297 WeakPolarHBondContact CB-ND1 3.47Å; T280-H297 PolarHBondContact OG1-ND1 3.11Å
281S93Very high88.7Confident22 Ų2256.9 Ų56.915%0.15428%0.275CS..Hα-helixtrans-64.9-39.9175.757.70000112.4Y277 D278 I279 M284 Q285Y277-S281 WeakPolarHBondContact O-CB 3.39Å; Y277-S281 PolarHBondContact O-N 3.18Å; Y277-S281 PolarHBondContact O-OG 3.33Å; D278-S281 WeakPolarHBondContact CA-OG 3.49Å; D278-S281 PolarHBondContact O-OG 3.08Å; I279-S281 PolarHBondContact O-N 2.77Å; S281-M284 PolarHBondContact O-N 3.3Å; S281-Q285 VanDerWaalsContact O-CG 3.32Å; S281-Q285 WeakPolarHBondContact O-CG 3.4Å; S281-Q285 PolarHBondContact O-N 2.91Å; S281-Q285 VanDerWaalsContact O-N 3.08Å
282R92.6Very high89.1Confident160 Ų16057.3 Ų57.360%0.60428%0.279SS*.Hα-helixtrans-62.3-44.2171.9-74.6178.5-121.3172.1-5.4111.7D278 I279 Q285 S286D278-R282 VanDerWaalsContact O-CG 3.25Å; D278-R282 WeakPolarHBondContact O-CG 3.36Å; D278-R282 PolarHBondContact O-N 3.48Å; D278-R282 PolarHBondContact O-NE 3.34Å; I279-R282 PolarHBondContact O-N 2.75Å; R282-Q285 WeakPolarHBondContact O-CB 3.49Å; R282-Q285 PolarHBondContact O-N 3.13Å; R282-S286 PolarHBondContact O-N 3.33Å; R282-S286 PolarHBondContact O-OG 3.17Å
283L91.1Very high89.5Confident10 Ų1053.2 Ų53.25%0.05226%0.264CS..Hα-helixtrans-62.1-43.2176.3-75.7-179.4000112.3V257 I260 V261 I279 T280 Q285 S286 D287V257-L283 HydrophobicContact CG1-CD2 4.19Å; V257-L283 HydrophobicContact CG2-CD2 4.36Å; I260-L283 HydrophobicContact CB-CD1 4.06Å; I260-L283 HydrophobicContact CB-CD2 4.14Å; I260-L283 HydrophobicContact CB-CG 4.46Å; I260-L283 HydrophobicContact CD1-CD2 4.04Å; I260-L283 HydrophobicContact CG2-CD1 3.52Å; I260-L283 HydrophobicContact CG2-CD2 3.9Å; I260-L283 HydrophobicContact CG2-CG 3.77Å; V261-L283 HydrophobicContact CG2-CD1 3.67Å; I279-L283 HydrophobicContact CG2-CD1 4.42Å; I279-L283 PolarHBondContact O-N 2.78Å; T280-L283 PolarHBondContact O-N 3.42Å; L283-Q285 PolarHBondContact O-N 3.27Å; L283-S286 WeakPolarHBondContact CA-OG 3.14Å; L283-S286 PolarHBondContact O-N 3.01Å; L283-S286 VanDerWaalsContact O-N 3.15Å; L283-S286 PolarHBondContact O-OG 3.4Å; L283-D287 PolarHBondContact O-N 3.05Å
284M89.3Confident89.8Confident31 Ų3152.6 Ų52.615%0.15326%0.261CS..Hα-helixtrans-67.8-23.8178.8-71.7-60.8-60.300113.1T280 S281 P288 L294 H297T280-M284 WeakPolarHBondContact O-CB 3.39Å; T280-M284 WeakPolarHBondContact O-CG 3.26Å; T280-M284 PolarHBondContact O-N 3.19Å; S281-M284 PolarHBondContact O-N 3.3Å; M284-P288 VanDerWaalsContact CE-O 3.26Å; M284-P288 WeakPolarHBondContact CE-O 3.39Å; M284-P288 WeakPolarHBondContact O-CA 3.36Å; M284-L294 HydrophobicContact CE-CD2 3.53Å; M284-L294 HydrophobicContact SD-CD2 3.91Å; M284-L294 HydrophobicContact SD-CG 4.43Å; M284-H297 HydrophobicContact CG-CB 4.36Å
285Q90.5Very high89.8Confident162 Ų16247.3 Ų47.376%0.75724%0.237SC*.Hα-helixtrans-73.7-37.6171.3-72.917112.900111.9S281 R282 L283S281-Q285 VanDerWaalsContact O-CG 3.32Å; S281-Q285 WeakPolarHBondContact O-CG 3.4Å; S281-Q285 PolarHBondContact O-N 2.91Å; S281-Q285 VanDerWaalsContact O-N 3.08Å; R282-Q285 WeakPolarHBondContact O-CB 3.49Å; R282-Q285 PolarHBondContact O-N 3.13Å; L283-Q285 PolarHBondContact O-N 3.27Å
286S89.6Confident89.8Confident88 Ų8843.7 Ų43.762%0.61522%0.22SC*.Hα-helixtrans-78-45.3177.151.20000113.2R282 L283R282-S286 PolarHBondContact O-N 3.33Å; R282-S286 PolarHBondContact O-OG 3.17Å; L283-S286 WeakPolarHBondContact CA-OG 3.14Å; L283-S286 PolarHBondContact O-N 3.01Å; L283-S286 VanDerWaalsContact O-N 3.15Å; L283-S286 PolarHBondContact O-OG 3.4Å
287D88.3Confident90Very high61 Ų6144.1 Ų44.133%0.32622%0.222SC..  trans-135.992.6-178.3-176.53.5000109.6L283 Y289 N290L283-D287 PolarHBondContact O-N 3.05Å; D287-Y289 PolarHBondContact O-N 3.46Å; D287-Y289 PolarHBondContact OD1-N 2.88Å; D287-Y289 VanDerWaalsContact OD1-N 3.16Å; D287-N290 PolarHBondContact OD1-N 3.2Å
288P85.8Confident89.9Confident54 Ų5442.8 Ų42.835%0.35122%0.217SC..THydrogen-bonded Turntrans-72.5-11.1-177.727.3-33.2000114M284M284-P288 VanDerWaalsContact CE-O 3.26Å; M284-P288 WeakPolarHBondContact CE-O 3.39Å; M284-P288 WeakPolarHBondContact O-CA 3.36Å
289Y84.8Confident89.6Confident110 Ų11039.4 Ų39.443%0.43120%0.199SC..THydrogen-bonded Turntrans-114.314.5-172.8-58.4-64.5000113.4D287 L291 V320 Y321D287-Y289 PolarHBondContact O-N 3.46Å; D287-Y289 PolarHBondContact OD1-N 2.88Å; D287-Y289 VanDerWaalsContact OD1-N 3.16Å; Y289-L291 PolarHBondContact O-N 3.31Å; Y289-V320 HydrophobicContact CD1-CG1 4.39Å; Y289-V320 HydrophobicContact CE1-CB 4.28Å; Y289-V320 HydrophobicContact CE1-CG1 4.13Å; Y289-V320 HydrophobicContact CE1-CG2 3.76Å; Y289-Y321 HydrophobicContact CD1-CE2 4.14Å
290N88.7Confident89.5Confident22 Ų2238.4 Ų38.412%0.11819%0.193CC..  trans-67.2106.8176-176.4-4.8000112.1V257 D287 A292 C293 L294V257-N290 WeakPolarHBondContact CG1-ND2 3.25Å; D287-N290 PolarHBondContact OD1-N 3.2Å; N290-A292 VanDerWaalsContact C-N 3.25Å; N290-A292 PolarHBondContact O-N 3.29Å; N290-A292 WeakPolarHBondContact OD1-CB 3.34Å; N290-A292 PolarHBondContact OD1-N 3.06Å; N290-C293 HydrophobicContact CB-CB 4.03Å; N290-C293 PolarHBondContact O-N 2.96Å; N290-L294 VanDerWaalsContact O-CG 3.27Å; N290-L294 WeakPolarHBondContact O-CG 3.23Å; N290-L294 PolarHBondContact O-N 3.02Å; N290-L294 VanDerWaalsContact O-N 3.09Å
291L85.7Confident89.5Confident54 Ų5438.4 Ų38.428%0.28319%0.193SC..THydrogen-bonded Turntrans-61.6-28-179.4-58.6179.1000113.9Y289 L294 P295 L326Y289-L291 PolarHBondContact O-N 3.31Å; L291-L294 HydrophobicContact CD2-CD1 4.31Å; L291-P295 WeakPolarHBondContact O-CD 3.45Å; L291-L326 HydrophobicContact CD2-CD2 4.35Å
292A85.3Confident89.3Confident16 Ų1637.5 Ų37.513%0.13219%0.187CC..THydrogen-bonded Turntrans-78.3-35.2178.200000112.3V261 N290V261-A292 HydrophobicContact CG1-CB 4.2Å; N290-A292 VanDerWaalsContact C-N 3.25Å; N290-A292 PolarHBondContact O-N 3.29Å; N290-A292 WeakPolarHBondContact OD1-CB 3.34Å; N290-A292 PolarHBondContact OD1-N 3.06Å
293C89.9Confident88.7Confident1 Ų130 Ų301%0.00716%0.158CC..Hα-helixtrans-77.5-35.6179.8-172.50000112.3V261 N290 I296 H297V261-C293 HydrophobicContact CG2-CB 3.79Å; N290-C293 HydrophobicContact CB-CB 4.03Å; N290-C293 PolarHBondContact O-N 2.96Å; C293-I296 PolarHBondContact O-N 3.47Å; C293-I296 VanDerWaalsContact O-N 3.08Å; C293-H297 PolarHBondContact O-N 2.91Å
294L91.3Very high88.6Confident0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-54.1-48.2-173.3-80.6168.7000114.5M284 N290 L291 I296 H297 I298 V313 L317 L326M284-L294 HydrophobicContact CE-CD2 3.53Å; M284-L294 HydrophobicContact SD-CD2 3.91Å; M284-L294 HydrophobicContact SD-CG 4.43Å; N290-L294 VanDerWaalsContact O-CG 3.27Å; N290-L294 WeakPolarHBondContact O-CG 3.23Å; N290-L294 PolarHBondContact O-N 3.02Å; N290-L294 VanDerWaalsContact O-N 3.09Å; L291-L294 HydrophobicContact CD2-CD1 4.31Å; L294-I296 VanDerWaalsContact C-N 3.3Å; L294-I296 PolarHBondContact O-N 3.4Å; L294-H297 PolarHBondContact O-N 2.71Å; L294-I298 WeakPolarHBondContact O-CB 3.39Å; L294-I298 WeakPolarHBondContact O-CD1 3.19Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.4Å; L294-I298 PolarHBondContact O-N 3.36Å; L294-V313 HydrophobicContact CD2-CG1 4.28Å; L294-L317 HydrophobicContact CD1-CD2 3.59Å; L294-L317 HydrophobicContact CD2-CD1 4.2Å; L294-L317 HydrophobicContact CD2-CD2 4.04Å; L294-L317 HydrophobicContact CG-CD2 4.46Å; L294-L326 HydrophobicContact CB-CD2 3.87Å; L294-L326 HydrophobicContact CD1-CD2 3.91Å
295P88.9Confident88.5Confident2 Ų235 Ų351%0.01318%0.182CC..Hα-helixtrans-57.8-41.2175.6-23.230.6000113L291 S299 L326L291-P295 WeakPolarHBondContact O-CD 3.45Å; P295-S299 WeakPolarHBondContact O-CB 3.4Å; P295-S299 PolarHBondContact O-N 2.75Å; P295-S299 PolarHBondContact O-OG 3.12Å; P295-L326 HydrophobicContact CB-CD1 4.45Å; P295-L326 HydrophobicContact CG-CD1 3.78Å
296I88.9Confident88.6Confident4 Ų430.2 Ų30.22%0.02116%0.159CC..Hα-helixtrans-69.1-40.6178.2-56174.2000109.7V261 A264 L268 T280 C293 L294 S299 V300 M600V261-I296 HydrophobicContact CG1-CD1 3.85Å; A264-I296 HydrophobicContact CB-CG2 4.26Å; L268-I296 HydrophobicContact CD1-CG2 4.32Å; T280-I296 HydrophobicContact CG2-CG2 4.01Å; C293-I296 PolarHBondContact O-N 3.47Å; C293-I296 VanDerWaalsContact O-N 3.08Å; L294-I296 VanDerWaalsContact C-N 3.3Å; L294-I296 PolarHBondContact O-N 3.4Å; I296-S299 VanDerWaalsContact CA-OG 3.26Å; I296-S299 WeakPolarHBondContact CA-OG 3.21Å; I296-S299 WeakPolarHBondContact O-CB 3.44Å; I296-S299 PolarHBondContact O-N 3.03Å; I296-S299 PolarHBondContact O-OG 2.9Å; I296-V300 HydrophobicContact CG2-CG2 4.45Å; I296-V300 VanDerWaalsContact O-CG2 3.29Å; I296-V300 WeakPolarHBondContact O-CG2 3.29Å; I296-V300 PolarHBondContact O-N 2.68Å; I296-M600 HydrophobicContact CD1-CG 4.22Å; I296-M600 HydrophobicContact CD1-SD 4.37Å; I296-M600 HydrophobicContact CG1-CG 4.4Å
297H93Very high88.7Confident10 Ų1027.1 Ų27.15%0.04614%0.138CC..Hα-helixtrans-66.6-47.1178.1-170.560.2000112T280 M284 C293 L294 S299 V300 L301T280-H297 WeakPolarHBondContact CB-ND1 3.47Å; T280-H297 PolarHBondContact OG1-ND1 3.11Å; M284-H297 HydrophobicContact CG-CB 4.36Å; C293-H297 PolarHBondContact O-N 2.91Å; L294-H297 PolarHBondContact O-N 2.71Å; H297-S299 PolarHBondContact O-N 3.44Å; H297-V300 PolarHBondContact O-N 3.4Å; H297-L301 WeakPolarHBondContact O-CB 3.48Å; H297-L301 VanDerWaalsContact O-CG 3.26Å; H297-L301 WeakPolarHBondContact O-CG 3.5Å; H297-L301 PolarHBondContact O-N 3.14Å
298I92.3Very high89Confident0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-55-40.3173.7-70.5161000110.2L294 K302 L310 V313 L317 L326 F329 C333 F598L294-I298 WeakPolarHBondContact O-CB 3.39Å; L294-I298 WeakPolarHBondContact O-CD1 3.19Å; L294-I298 VanDerWaalsContact O-CG1 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.4Å; L294-I298 PolarHBondContact O-N 3.36Å; I298-K302 WeakPolarHBondContact O-CB 3.25Å; I298-K302 PolarHBondContact O-N 3.25Å; I298-K302 VanDerWaalsContact O-N 3.09Å; I298-L310 HydrophobicContact CB-CD1 4.35Å; I298-L310 HydrophobicContact CG1-CD1 4.25Å; I298-L310 HydrophobicContact CG2-CD1 3.97Å; I298-V313 HydrophobicContact CG1-CG1 4.48Å; I298-L317 HydrophobicContact CD1-CD1 4.16Å; I298-L326 HydrophobicContact CD1-CD1 4.15Å; I298-F329 HydrophobicContact CD1-CD1 4.3Å; I298-F329 HydrophobicContact CD1-CE1 4.34Å; I298-F329 HydrophobicContact CG2-CD1 4.45Å; I298-F329 HydrophobicContact CG2-CE1 4.09Å; I298-C333 HydrophobicContact CG2-CB 3.89Å; I298-F598 HydrophobicContact CG2-CZ 4.22Å
299S87.9Confident89.4Confident0 Ų031.2 Ų31.20%016%0.155CC..Hα-helixtrans-59.6-58.2177.369.90000114L268 P295 I296 H297 L301 K302 E303 F598L268-S299 WeakPolarHBondContact CD1-OG 3.37Å; P295-S299 WeakPolarHBondContact O-CB 3.4Å; P295-S299 PolarHBondContact O-N 2.75Å; P295-S299 PolarHBondContact O-OG 3.12Å; I296-S299 VanDerWaalsContact CA-OG 3.26Å; I296-S299 WeakPolarHBondContact CA-OG 3.21Å; I296-S299 WeakPolarHBondContact O-CB 3.44Å; I296-S299 PolarHBondContact O-N 3.03Å; I296-S299 PolarHBondContact O-OG 2.9Å; H297-S299 PolarHBondContact O-N 3.44Å; S299-L301 VanDerWaalsContact C-N 3.26Å; S299-L301 PolarHBondContact O-N 3.07Å; S299-K302 CarbonylContact O-C 3.56Å; S299-K302 WeakPolarHBondContact O-CA 3.2Å; S299-K302 WeakPolarHBondContact O-CB 2.86Å; S299-K302 PolarHBondContact O-N 3.35Å; S299-E303 VanDerWaalsContact O-CG 3.29Å; S299-E303 WeakPolarHBondContact O-CG 3.05Å; S299-E303 PolarHBondContact O-N 2.81Å; S299-F598 VanDerWaalsContact CB-CE2 3.44Å
300V90Very high89.8Confident0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-62.1-37.9-177.6178.40000111.1L268 F273 C276 Y277 I296 H297 K302 E303 L304L268-V300 HydrophobicContact CD1-CG2 3.8Å; F273-V300 HydrophobicContact CB-CG1 4.49Å; F273-V300 WeakPolarHBondContact O-CG1 3.17Å; C276-V300 HydrophobicContact CB-CG2 3.89Å; C276-V300 WeakPolarHBondContact SG-CG2 3.19Å; Y277-V300 HydrophobicContact CD2-CG1 4.35Å; Y277-V300 HydrophobicContact CG-CG1 4.46Å; I296-V300 HydrophobicContact CG2-CG2 4.45Å; I296-V300 VanDerWaalsContact O-CG2 3.29Å; I296-V300 WeakPolarHBondContact O-CG2 3.29Å; I296-V300 PolarHBondContact O-N 2.68Å; H297-V300 PolarHBondContact O-N 3.4Å; V300-K302 VanDerWaalsContact C-N 3.26Å; V300-K302 PolarHBondContact O-N 3.33Å; V300-E303 WeakPolarHBondContact O-CB 3.49Å; V300-E303 PolarHBondContact O-N 2.99Å; V300-L304 HydrophobicContact CG1-CD1 3.82Å; V300-L304 HydrophobicContact CG1-CG 4.13Å; V300-L304 WeakPolarHBondContact O-CB 3.05Å; V300-L304 VanDerWaalsContact O-CG 3.3Å; V300-L304 WeakPolarHBondContact O-CG 2.97Å; V300-L304 PolarHBondContact O-N 3.22Å
301L92.3Very high90.1Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-58.8-40.8174.8-74.9178.6000112.1Y277 H297 S299 E305 K306 E309 L310 V313Y277-L301 HydrophobicContact CD2-CD2 4.13Å; Y277-L301 HydrophobicContact CE2-CD2 3.66Å; H297-L301 WeakPolarHBondContact O-CB 3.48Å; H297-L301 VanDerWaalsContact O-CG 3.26Å; H297-L301 WeakPolarHBondContact O-CG 3.5Å; H297-L301 PolarHBondContact O-N 3.14Å; S299-L301 VanDerWaalsContact C-N 3.26Å; S299-L301 PolarHBondContact O-N 3.07Å; L301-E305 PolarHBondContact O-N 3.03Å; L301-K306 HydrophobicContact CD2-CB 3.95Å; L301-K306 HydrophobicContact CD2-CD 4.24Å; L301-K306 PolarHBondContact O-N 3.34Å; L301-E309 HydrophobicContact CD1-CB 4.39Å; L301-E309 HydrophobicContact CD2-CB 3.79Å; L301-E309 WeakPolarHBondContact CD2-OE2 3.4Å; L301-L310 HydrophobicContact CB-CB 4.31Å; L301-L310 HydrophobicContact CB-CD1 4.34Å; L301-L310 HydrophobicContact CD1-CB 4.23Å; L301-L310 HydrophobicContact CD1-CD1 4.12Å; L301-V313 HydrophobicContact CD1-CG2 4.24Å
302K89Confident90.6Very high3 Ų332.2 Ų32.21%0.01316%0.159CC..Hα-helixtrans-69.3-42.6175.9-170.9-93.1-177164.40111.6I298 S299 V300 L304 E305 L310 C337 N594 R595 I596I298-K302 WeakPolarHBondContact O-CB 3.25Å; I298-K302 PolarHBondContact O-N 3.25Å; I298-K302 VanDerWaalsContact O-N 3.09Å; S299-K302 CarbonylContact O-C 3.56Å; S299-K302 WeakPolarHBondContact O-CA 3.2Å; S299-K302 WeakPolarHBondContact O-CB 2.86Å; S299-K302 PolarHBondContact O-N 3.35Å; V300-K302 VanDerWaalsContact C-N 3.26Å; V300-K302 PolarHBondContact O-N 3.33Å; K302-L304 VanDerWaalsContact C-N 3.31Å; K302-L304 PolarHBondContact O-N 3.27Å; K302-E305 PolarHBondContact O-N 3.06Å; K302-E305 VanDerWaalsContact O-N 3.15Å; K302-L310 HydrophobicContact CB-CD2 4.48Å; K302-C337 VanDerWaalsContact CG-SG 3.54Å; K302-N594 WeakPolarHBondContact CD-O 3.35Å; K302-N594 VanDerWaalsContact CE-C 3.42Å; K302-N594 WeakPolarHBondContact CE-O 3.45Å; K302-N594 PolarHBondContact NZ-O 2.92Å; K302-R595 VanDerWaalsContact NZ-C 3.27Å; K302-I596 HydrophobicContact CD-CB 4.17Å; K302-I596 HydrophobicContact CD-CD1 3.62Å; K302-I596 HydrophobicContact CD-CG1 4.08Å; K302-I596 HydrophobicContact CG-CD1 3.98Å; K302-I596 VanDerWaalsContact NZ-CD1 3.33Å
303E80.9Confident90.9Very high2 Ų232.4 Ų32.41%0.00916%0.158CC..Hα-helixtrans-60-39.2176.1-64.2-58.8118.200113.4F273 S299 V300 E305 R595 I596F273-E303 HydrophobicContact CD1-CB 3.75Å; F273-E303 HydrophobicContact CD1-CG 3.73Å; F273-E303 HydrophobicContact CD2-CB 4.49Å; F273-E303 HydrophobicContact CE1-CB 4.04Å; F273-E303 HydrophobicContact CE1-CG 3.62Å; F273-E303 WeakPolarHBondContact CE1-OE2 3.09Å; F273-E303 HydrophobicContact CG-CB 4Å; F273-E303 HydrophobicContact CG-CG 4.46Å; F273-E303 HydrophobicContact CZ-CG 4.27Å; F273-E303 WeakPolarHBondContact CZ-OE2 2.99Å; S299-E303 VanDerWaalsContact O-CG 3.29Å; S299-E303 WeakPolarHBondContact O-CG 3.05Å; S299-E303 PolarHBondContact O-N 2.81Å; V300-E303 WeakPolarHBondContact O-CB 3.49Å; V300-E303 PolarHBondContact O-N 2.99Å; E303-E305 VanDerWaalsContact C-N 3.31Å; E303-R595 PolarHBondContact O-NE 3.48Å; E303-R595 WeakPolarHBondContact OE1-CA 3.15Å; E303-R595 WeakPolarHBondContact OE1-CB 2.81Å; E303-R595 WeakPolarHBondContact OE2-CB 3.08Å; E303-R595 WeakPolarHBondContact OE2-CD 3.14Å; E303-R595 WeakPolarHBondContact OE2-CG 3.49Å; E303-I596 PolarHBondContact OE1-N 3.4Å
304L88.4Confident91.1Very high35 Ų3532.5 Ų32.518%0.18316%0.159CC..THydrogen-bonded Turntrans-87.32.9179.1-64.3-176.9000113.4F273 Q274 Y277 V300 K302 K306F273-L304 HydrophobicContact CB-CD2 3.63Å; F273-L304 HydrophobicContact CB-CG 4.12Å; Q274-L304 HydrophobicContact CG-CD2 4.4Å; Q274-L304 VanDerWaalsContact NE2-CD2 3.33Å; Y277-L304 HydrophobicContact CD2-CD1 4.08Å; Y277-L304 HydrophobicContact CG-CD1 3.83Å; V300-L304 HydrophobicContact CG1-CD1 3.82Å; V300-L304 HydrophobicContact CG1-CG 4.13Å; V300-L304 WeakPolarHBondContact O-CB 3.05Å; V300-L304 VanDerWaalsContact O-CG 3.3Å; V300-L304 WeakPolarHBondContact O-CG 2.97Å; V300-L304 PolarHBondContact O-N 3.22Å; K302-L304 VanDerWaalsContact C-N 3.31Å; K302-L304 PolarHBondContact O-N 3.27Å; L304-K306 HydrophobicContact CB-CD 4.35Å; L304-K306 HydrophobicContact CB-CG 4.09Å; L304-K306 PolarHBondContact O-N 3.29Å; L304-K306 VanDerWaalsContact O-N 3.17Å
305E87.7Confident91.2Very high112 Ų11236.8 Ų36.852%0.52318%0.179SC..THydrogen-bonded Turntrans54.630.3-178.4-58.7-175164.300114.1L301 K302 E303 A307L301-E305 PolarHBondContact O-N 3.03Å; K302-E305 PolarHBondContact O-N 3.06Å; K302-E305 VanDerWaalsContact O-N 3.15Å; E303-E305 VanDerWaalsContact C-N 3.31Å; E305-A307 VanDerWaalsContact C-N 3.29Å; E305-A307 PolarHBondContact O-N 2.92Å
306K91.7Very high91.4Very high60 Ų6042.9 Ų42.926%0.26121%0.205SC..  trans-82.267178.6-68.8-175.6179.7-179.40111.9Y277 L301 L304 N308 E309 L310Y277-K306 VanDerWaalsContact CD1-NZ 3.33Å; Y277-K306 HydrophobicContact CD2-CD 4.37Å; Y277-K306 HydrophobicContact CE2-CD 3.84Å; Y277-K306 PolarHBondContact OH-NZ 3.02Å; L301-K306 HydrophobicContact CD2-CB 3.95Å; L301-K306 HydrophobicContact CD2-CD 4.24Å; L301-K306 PolarHBondContact O-N 3.34Å; L304-K306 HydrophobicContact CB-CD 4.35Å; L304-K306 HydrophobicContact CB-CG 4.09Å; L304-K306 PolarHBondContact O-N 3.29Å; L304-K306 VanDerWaalsContact O-N 3.17Å; K306-N308 VanDerWaalsContact C-N 3.3Å; K306-N308 PolarHBondContact O-N 3.26Å; K306-E309 PolarHBondContact O-N 2.85Å; K306-L310 PolarHBondContact O-N 2.68Å
307A92.9Very high91.5Very high23 Ų2343 Ų4319%0.1921%0.206CC..Hα-helixtrans-56.3-38.5-175.400000113.9E305 E309 L310 F311 C337 I338E305-A307 VanDerWaalsContact C-N 3.29Å; E305-A307 PolarHBondContact O-N 2.92Å; A307-E309 PolarHBondContact O-N 2.96Å; A307-L310 PolarHBondContact O-N 3.07Å; A307-F311 WeakPolarHBondContact O-CB 2.98Å; A307-F311 PolarHBondContact O-N 3.21Å; A307-C337 HydrophobicContact CB-CB 4.31Å; A307-I338 HydrophobicContact CB-CG1 4.46Å
308N94.8Very high91.5Very high133 Ų13344.3 Ų44.371%0.71121%0.212SC*.Hα-helixtrans-64.7-39-177.6-66.1-21.5000113.4K306 K312K306-N308 VanDerWaalsContact C-N 3.3Å; K306-N308 PolarHBondContact O-N 3.26Å; N308-K312 WeakPolarHBondContact O-CG 2.84Å; N308-K312 PolarHBondContact O-N 2.98Å
309E93.5Very high91.6Very high68 Ų6849.7 Ų49.732%0.31824%0.241SC..Hα-helixtrans-75.1-39.8177.7-70.7-176.3-174.600110.7Y277 L301 K306 A307 F311 K312 V313Y277-E309 WeakPolarHBondContact CE2-OE2 3.49Å; Y277-E309 VanDerWaalsContact CZ-OE2 3.31Å; Y277-E309 PolarHBondContact OH-OE1 3.28Å; Y277-E309 PolarHBondContact OH-OE2 3.29Å; L301-E309 HydrophobicContact CD1-CB 4.39Å; L301-E309 HydrophobicContact CD2-CB 3.79Å; L301-E309 WeakPolarHBondContact CD2-OE2 3.4Å; K306-E309 PolarHBondContact O-N 2.85Å; A307-E309 PolarHBondContact O-N 2.96Å; E309-F311 VanDerWaalsContact C-N 3.29Å; E309-F311 PolarHBondContact O-N 3.33Å; E309-K312 WeakPolarHBondContact O-CB 3.08Å; E309-K312 PolarHBondContact O-N 2.87Å; E309-K312 VanDerWaalsContact O-N 3.12Å; E309-V313 WeakPolarHBondContact O-CG2 3.16Å; E309-V313 PolarHBondContact O-N 2.86Å
310L93.4Very high91.8Very high0 Ų052.6 Ų52.60%026%0.259CS..Hα-helixtrans-60.5-40.1176.5-172.755.8000111.7I298 L301 K302 K306 A307 K312 V313 S314 C333 C337I298-L310 HydrophobicContact CB-CD1 4.35Å; I298-L310 HydrophobicContact CG1-CD1 4.25Å; I298-L310 HydrophobicContact CG2-CD1 3.97Å; L301-L310 HydrophobicContact CB-CB 4.31Å; L301-L310 HydrophobicContact CB-CD1 4.34Å; L301-L310 HydrophobicContact CD1-CB 4.23Å; L301-L310 HydrophobicContact CD1-CD1 4.12Å; K302-L310 HydrophobicContact CB-CD2 4.48Å; K306-L310 PolarHBondContact O-N 2.68Å; A307-L310 PolarHBondContact O-N 3.07Å; L310-K312 PolarHBondContact O-N 3.45Å; L310-V313 PolarHBondContact O-N 3.37Å; L310-S314 WeakPolarHBondContact O-CB 3.39Å; L310-S314 PolarHBondContact O-N 3.01Å; L310-S314 PolarHBondContact O-OG 2.83Å; L310-S314 VanDerWaalsContact O-OG 3.13Å; L310-C333 HydrophobicContact CD2-CB 4.22Å; L310-C337 VanDerWaalsContact CD2-SG 3.51Å
311F95.4Very high91.9Very high75 Ų7556.7 Ų56.733%0.32928%0.275SS..Hα-helixtrans-58.6-45.5172.5-177.7-105.9000112.8A307 E309 S314 H315 Y334A307-F311 WeakPolarHBondContact O-CB 2.98Å; A307-F311 PolarHBondContact O-N 3.21Å; E309-F311 VanDerWaalsContact C-N 3.29Å; E309-F311 PolarHBondContact O-N 3.33Å; F311-S314 WeakPolarHBondContact CA-OG 3.32Å; F311-S314 PolarHBondContact O-N 3.1Å; F311-S314 PolarHBondContact O-OG 3.37Å; F311-H315 WeakPolarHBondContact O-CB 2.99Å; F311-H315 PolarHBondContact O-N 3.23Å; F311-Y334 HydrophobicContact CB-CD2 3.9Å; F311-Y334 HydrophobicContact CB-CE2 3.56Å; F311-Y334 HydrophobicContact CD2-CD1 4.37Å; F311-Y334 HydrophobicContact CD2-CD2 4.36Å; F311-Y334 AromaticContact CD2-CE1 3.77Å; F311-Y334 HydrophobicContact CD2-CE1 3.77Å; F311-Y334 AromaticContact CD2-CE2 3.77Å; F311-Y334 HydrophobicContact CD2-CE2 3.77Å; F311-Y334 AromaticContact CD2-CZ 3.41Å; F311-Y334 VanDerWaalsContact CD2-CZ 3.41Å; F311-Y334 HydrophobicContact CE2-CE1 4.35Å; F311-Y334 HydrophobicContact CG-CE2 4.06Å
312K94.2Very high91.9Very high133 Ų13360.5 Ų60.558%0.57830%0.3SS*.Hα-helixtrans-64.3-42.6178.8-70.4174.2-176.4177.90111.4N308 E309 L310 K316N308-K312 WeakPolarHBondContact O-CG 2.84Å; N308-K312 PolarHBondContact O-N 2.98Å; E309-K312 WeakPolarHBondContact O-CB 3.08Å; E309-K312 PolarHBondContact O-N 2.87Å; E309-K312 VanDerWaalsContact O-N 3.12Å; L310-K312 PolarHBondContact O-N 3.45Å; K312-K316 WeakPolarHBondContact O-CB 3.4Å; K312-K316 VanDerWaalsContact O-CG 3.23Å; K312-K316 WeakPolarHBondContact O-CG 3.33Å; K312-K316 PolarHBondContact O-N 3.12Å; K312-K316 VanDerWaalsContact O-N 3.15Å
313V92.6Very high91.9Very high19 Ų1965 Ų6512%0.11533%0.331CS..Hα-helixtrans-65.5-45.8177.5173.90000110.1L294 I298 L301 E309 L310 H315 K316 L317L294-V313 HydrophobicContact CD2-CG1 4.28Å; I298-V313 HydrophobicContact CG1-CG1 4.48Å; L301-V313 HydrophobicContact CD1-CG2 4.24Å; E309-V313 WeakPolarHBondContact O-CG2 3.16Å; E309-V313 PolarHBondContact O-N 2.86Å; L310-V313 PolarHBondContact O-N 3.37Å; V313-H315 PolarHBondContact O-N 3.23Å; V313-K316 PolarHBondContact O-N 3.09Å; V313-L317 HydrophobicContact CG1-CD1 3.91Å; V313-L317 HydrophobicContact CG1-CG 4.3Å; V313-L317 VanDerWaalsContact O-CG 3.31Å; V313-L317 WeakPolarHBondContact O-CG 2.82Å; V313-L317 PolarHBondContact O-N 3.02Å
314S93.8Very high92.4Very high4 Ų466 Ų663%0.02834%0.339CS..Hα-helixtrans-63.7-41.1-178.761.70000112.9L310 F311 L317 M318 S330L310-S314 WeakPolarHBondContact O-CB 3.39Å; L310-S314 PolarHBondContact O-N 3.01Å; L310-S314 PolarHBondContact O-OG 2.83Å; L310-S314 VanDerWaalsContact O-OG 3.13Å; F311-S314 WeakPolarHBondContact CA-OG 3.32Å; F311-S314 PolarHBondContact O-N 3.1Å; F311-S314 PolarHBondContact O-OG 3.37Å; S314-L317 PolarHBondContact O-N 2.89Å; S314-M318 WeakPolarHBondContact O-CG 3.33Å; S314-M318 PolarHBondContact O-N 3.24Å; S314-S330 VanDerWaalsContact CA-OG 3.3Å; S314-S330 WeakPolarHBondContact CA-OG 3.43Å; S314-S330 VanDerWaalsContact CB-OG 3.25Å; S314-S330 WeakPolarHBondContact CB-OG 3.4Å
315H93.8Very high92.5Very high90 Ų9064.6 Ų64.642%0.41733%0.332SS..Hα-helixtrans-65.1-45.6176.5-165-70.7000111.4F311 V313 L317 M318 D319F311-H315 WeakPolarHBondContact O-CB 2.99Å; F311-H315 PolarHBondContact O-N 3.23Å; V313-H315 PolarHBondContact O-N 3.23Å; H315-L317 VanDerWaalsContact C-N 3.29Å; H315-L317 PolarHBondContact O-N 3.42Å; H315-M318 PolarHBondContact O-N 3.38Å; H315-M318 VanDerWaalsContact O-N 3.12Å; H315-D319 IonicContact CE1-OD1 3.27Å; H315-D319 PolarHBondContact CE1-OD1 3.09Å; H315-D319 IonicContact CE1-OD2 3.69Å; H315-D319 PolarHBondContact CE1-OD2 2.97Å; H315-D319 VanDerWaalsContact CE1-OD2 3.28Å; H315-D319 IonicContact ND1-OD1 3.7Å; H315-D319 PolarHBondContact ND1-OD1 3.48Å; H315-D319 IonicContact ND1-OD2 3.73Å; H315-D319 PolarHBondContact ND1-OD2 3.33Å; H315-D319 VanDerWaalsContact O-CG 3.22Å; H315-D319 PolarHBondContact O-N 2.93Å
316K92.8Very high92.7Very high130 Ų13059.4 Ų59.457%0.56531%0.308SS*.Hα-helixtrans-58.7-40.2175.5-74.6176.4179.1-172.60112.4K312 V313 V320K312-K316 WeakPolarHBondContact O-CB 3.4Å; K312-K316 VanDerWaalsContact O-CG 3.23Å; K312-K316 WeakPolarHBondContact O-CG 3.33Å; K312-K316 PolarHBondContact O-N 3.12Å; K312-K316 VanDerWaalsContact O-N 3.15Å; V313-K316 PolarHBondContact O-N 3.09Å; K316-V320 WeakPolarHBondContact O-CG2 3.45Å; K316-V320 PolarHBondContact O-N 3.3Å
317L92.2Very high92.8Very high6 Ų656.6 Ų56.63%0.03130%0.296CS..Hα-helixtrans-69-34.5177.1-70.8175.8000112.3L294 I298 V313 S314 H315 Y321 A327L294-L317 HydrophobicContact CD1-CD2 3.59Å; L294-L317 HydrophobicContact CD2-CD1 4.2Å; L294-L317 HydrophobicContact CD2-CD2 4.04Å; L294-L317 HydrophobicContact CG-CD2 4.46Å; I298-L317 HydrophobicContact CD1-CD1 4.16Å; V313-L317 HydrophobicContact CG1-CD1 3.91Å; V313-L317 HydrophobicContact CG1-CG 4.3Å; V313-L317 VanDerWaalsContact O-CG 3.31Å; V313-L317 WeakPolarHBondContact O-CG 2.82Å; V313-L317 PolarHBondContact O-N 3.02Å; S314-L317 PolarHBondContact O-N 2.89Å; H315-L317 VanDerWaalsContact C-N 3.29Å; H315-L317 PolarHBondContact O-N 3.42Å; L317-Y321 HydrophobicContact CD2-CD2 4.43Å; L317-Y321 CarbonylContact O-C 3.13Å; L317-Y321 WeakPolarHBondContact O-CA 3.46Å; L317-Y321 PolarHBondContact O-N 2.83Å; L317-A327 HydrophobicContact CB-CB 4.01Å
318M92.7Very high92.9Very high38 Ų3857.5 Ų57.519%0.18729%0.294CS..Hα-helixtrans-68.6-39.6175.3-78-63.515700112.7S314 H315 V320 A327 W328 V331S314-M318 WeakPolarHBondContact O-CG 3.33Å; S314-M318 PolarHBondContact O-N 3.24Å; H315-M318 PolarHBondContact O-N 3.38Å; H315-M318 VanDerWaalsContact O-N 3.12Å; M318-V320 VanDerWaalsContact C-N 3.28Å; M318-V320 PolarHBondContact O-N 2.74Å; M318-A327 HydrophobicContact CE-CB 3.46Å; M318-A327 VanDerWaalsContact CE-CB 3.46Å; M318-A327 WeakPolarHBondContact CE-O 3.49Å; M318-A327 HydrophobicContact SD-CB 4.06Å; M318-W328 HydrophobicContact CE-CB 4.14Å; M318-W328 HydrophobicContact CE-CD2 3.6Å; M318-W328 HydrophobicContact CE-CE3 3.96Å; M318-W328 HydrophobicContact CE-CG 3.7Å; M318-W328 HydrophobicContact CE-CZ2 4.39Å; M318-W328 HydrophobicContact CE-CZ3 4.48Å; M318-W328 HydrophobicContact SD-CD2 4.44Å; M318-W328 HydrophobicContact SD-CZ2 4.19Å; M318-V331 HydrophobicContact CE-CG2 3.64Å; M318-V331 HydrophobicContact CG-CG2 4.05Å
319D93.6Very high92.9Very high112 Ų11251.1 Ų51.160%0.59926%0.26SS*.Hα-helixtrans-64-35.1177.9-64.2-31.8000111.7H315H315-D319 IonicContact CE1-OD1 3.27Å; H315-D319 PolarHBondContact CE1-OD1 3.09Å; H315-D319 IonicContact CE1-OD2 3.69Å; H315-D319 PolarHBondContact CE1-OD2 2.97Å; H315-D319 VanDerWaalsContact CE1-OD2 3.28Å; H315-D319 IonicContact ND1-OD1 3.7Å; H315-D319 PolarHBondContact ND1-OD1 3.48Å; H315-D319 IonicContact ND1-OD2 3.73Å; H315-D319 PolarHBondContact ND1-OD2 3.33Å; H315-D319 VanDerWaalsContact O-CG 3.22Å; H315-D319 PolarHBondContact O-N 2.93Å
320V92.7Very high92.9Very high62 Ų6247.9 Ų47.938%0.37625%0.245SC..Hα-helixtrans-95.2-40.9-175.3-178.30000113.1Y289 K316 M318Y289-V320 HydrophobicContact CD1-CG1 4.39Å; Y289-V320 HydrophobicContact CE1-CB 4.28Å; Y289-V320 HydrophobicContact CE1-CG1 4.13Å; Y289-V320 HydrophobicContact CE1-CG2 3.76Å; K316-V320 WeakPolarHBondContact O-CG2 3.45Å; K316-V320 PolarHBondContact O-N 3.3Å; M318-V320 VanDerWaalsContact C-N 3.28Å; M318-V320 PolarHBondContact O-N 2.74Å
321Y91.2Very high93Very high86 Ų8648.8 Ų48.834%0.33725%0.25SS..  trans-131.665.7-172.8-56.4-66.1000113Y289 L317 S323 S324 A327Y289-Y321 HydrophobicContact CD1-CE2 4.14Å; L317-Y321 HydrophobicContact CD2-CD2 4.43Å; L317-Y321 CarbonylContact O-C 3.13Å; L317-Y321 WeakPolarHBondContact O-CA 3.46Å; L317-Y321 PolarHBondContact O-N 2.83Å; Y321-S323 PolarHBondContact O-N 3.23Å; Y321-S324 PolarHBondContact O-N 3.38Å; Y321-S324 VanDerWaalsContact O-N 3.12Å; Y321-A327 WeakPolarHBondContact O-CB 3.35Å
322P92Very high92.9Very high80 Ų8045.2 Ų45.252%0.51924%0.235SC..THydrogen-bonded Turntrans-66.3-24.5-176.626.5-35.5000113.9W328P322-W328 PolarHBondContact O-NE1 2.82Å
323S90.4Very high92.8Very high97 Ų9738.9 Ų38.968%0.67821%0.207SC*.THydrogen-bonded Turntrans-87.6-6178.255.90000113.7Y321Y321-S323 PolarHBondContact O-N 3.23Å
324S89.7Confident92.9Very high24 Ų2439.9 Ų39.917%0.16821%0.209CC..  trans-84132.7-177.9-178.50000111.6Y321 L326 A327Y321-S324 PolarHBondContact O-N 3.38Å; Y321-S324 VanDerWaalsContact O-N 3.12Å; S324-L326 PolarHBondContact O-N 2.87Å; S324-L326 PolarHBondContact OG-N 2.84Å; S324-A327 PolarHBondContact O-N 2.92Å
325A92.4Very high92.9Very high5 Ų540.9 Ų40.94%0.04121%0.213CC..Hα-helixtrans-59.7-33.3173.400000112.1A327 W328 F329 L354 D355 I361A325-A327 VanDerWaalsContact C-N 3.31Å; A325-A327 PolarHBondContact O-N 3.37Å; A325-W328 PolarHBondContact O-N 3.44Å; A325-F329 WeakPolarHBondContact O-CB 3.3Å; A325-F329 PolarHBondContact O-N 3.13Å; A325-L354 HydrophobicContact CB-CB 4.06Å; A325-D355 HydrophobicContact CB-CB 3.59Å; A325-I361 HydrophobicContact CB-CD1 3.98Å
326L91.9Very high92.8Very high2 Ų236.8 Ų36.81%0.0119%0.194CC..Hα-helixtrans-60.6-38.7177.6179.664.4000112.4L291 L294 P295 I298 S324 F329 S330 Y358L291-L326 HydrophobicContact CD2-CD2 4.35Å; L294-L326 HydrophobicContact CB-CD2 3.87Å; L294-L326 HydrophobicContact CD1-CD2 3.91Å; P295-L326 HydrophobicContact CB-CD1 4.45Å; P295-L326 HydrophobicContact CG-CD1 3.78Å; I298-L326 HydrophobicContact CD1-CD1 4.15Å; S324-L326 PolarHBondContact O-N 2.87Å; S324-L326 PolarHBondContact OG-N 2.84Å; L326-F329 HydrophobicContact CD1-CD1 4.02Å; L326-F329 HydrophobicContact CD1-CE1 4.18Å; L326-F329 WeakPolarHBondContact O-CB 3.47Å; L326-S330 PolarHBondContact O-N 2.9Å; L326-Y358 WeakPolarHBondContact CD1-OH 3.4Å
327A93.4Very high92.7Very high1 Ų131.7 Ų31.71%0.00817%0.174CC..Hα-helixtrans-64.7-50.3177.500000109.9L317 M318 Y321 S324 A325 F329 S330 V331L317-A327 HydrophobicContact CB-CB 4.01Å; M318-A327 HydrophobicContact CE-CB 3.46Å; M318-A327 VanDerWaalsContact CE-CB 3.46Å; M318-A327 WeakPolarHBondContact CE-O 3.49Å; M318-A327 HydrophobicContact SD-CB 4.06Å; Y321-A327 WeakPolarHBondContact O-CB 3.35Å; S324-A327 PolarHBondContact O-N 2.92Å; A325-A327 VanDerWaalsContact C-N 3.31Å; A325-A327 PolarHBondContact O-N 3.37Å; A327-F329 VanDerWaalsContact C-N 3.26Å; A327-F329 PolarHBondContact O-N 3.27Å; A327-S330 WeakPolarHBondContact O-CB 3.15Å; A327-S330 PolarHBondContact O-N 3.33Å; A327-S330 PolarHBondContact O-OG 3.25Å; A327-V331 PolarHBondContact O-N 2.91Å
328W94.8Very high92.7Very high42 Ų4234.5 Ų34.516%0.15919%0.188CC..Hα-helixtrans-64.7-35.5-178.6-73.696.2000112.4M318 P322 A325 V331 G332 H347 K350 A351 L354M318-W328 HydrophobicContact CE-CB 4.14Å; M318-W328 HydrophobicContact CE-CD2 3.6Å; M318-W328 HydrophobicContact CE-CE3 3.96Å; M318-W328 HydrophobicContact CE-CG 3.7Å; M318-W328 HydrophobicContact CE-CZ2 4.39Å; M318-W328 HydrophobicContact CE-CZ3 4.48Å; M318-W328 HydrophobicContact SD-CD2 4.44Å; M318-W328 HydrophobicContact SD-CZ2 4.19Å; P322-W328 PolarHBondContact O-NE1 2.82Å; A325-W328 PolarHBondContact O-N 3.44Å; W328-V331 PolarHBondContact O-N 3.34Å; W328-G332 PolarHBondContact O-N 3.17Å; W328-H347 HydrophobicContact CE3-CB 4.36Å; W328-H347 AromaticContact CE3-ND1 3.71Å; W328-H347 AromaticContact CZ3-ND1 3.45Å; W328-H347 WeakPolarHBondContact CZ3-ND1 3.32Å; W328-K350 HydrophobicContact CD2-CD 3.85Å; W328-K350 HydrophobicContact CD2-CG 4.18Å; W328-K350 HydrophobicContact CE3-CD 3.81Å; W328-K350 HydrophobicContact CE3-CG 4.41Å; W328-K350 HydrophobicContact CH2-CD 3.84Å; W328-K350 HydrophobicContact CZ2-CD 3.86Å; W328-K350 HydrophobicContact CZ3-CD 3.8Å; W328-A351 HydrophobicContact CB-CB 3.56Å; W328-L354 HydrophobicContact CG-CD1 4.14Å
329F94.1Very high92.5Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-60.1-43.5170.5164.6-97.9000112.8I298 A325 L326 A327 V331 G332 C333 L348 Y358 P360 I361 T364 F598I298-F329 HydrophobicContact CD1-CD1 4.3Å; I298-F329 HydrophobicContact CD1-CE1 4.34Å; I298-F329 HydrophobicContact CG2-CD1 4.45Å; I298-F329 HydrophobicContact CG2-CE1 4.09Å; A325-F329 WeakPolarHBondContact O-CB 3.3Å; A325-F329 PolarHBondContact O-N 3.13Å; L326-F329 HydrophobicContact CD1-CD1 4.02Å; L326-F329 HydrophobicContact CD1-CE1 4.18Å; L326-F329 WeakPolarHBondContact O-CB 3.47Å; A327-F329 VanDerWaalsContact C-N 3.26Å; A327-F329 PolarHBondContact O-N 3.27Å; F329-V331 VanDerWaalsContact C-N 3.3Å; F329-V331 PolarHBondContact O-N 2.88Å; F329-G332 PolarHBondContact O-N 3.43Å; F329-G332 VanDerWaalsContact O-N 3.16Å; F329-C333 PolarHBondContact O-N 2.78Å; F329-C333 PolarHBondContact O-SG 2.72Å; F329-L348 HydrophobicContact CD2-CD2 4.34Å; F329-Y358 HydrophobicContact CB-CE1 4.45Å; F329-Y358 HydrophobicContact CD1-CE1 4.23Å; F329-Y358 AromaticContact CD2-CE1 3.82Å; F329-Y358 HydrophobicContact CD2-CE1 3.82Å; F329-Y358 HydrophobicContact CE1-CE1 4.15Å; F329-Y358 VanDerWaalsContact CE1-OH 3.29Å; F329-Y358 WeakPolarHBondContact CE1-OH 3.44Å; F329-Y358 AromaticContact CE2-CE1 3.67Å; F329-Y358 HydrophobicContact CE2-CE1 3.67Å; F329-Y358 AromaticContact CG-CE1 3.97Å; F329-Y358 HydrophobicContact CG-CE1 3.97Å; F329-Y358 AromaticContact CZ-CE1 3.73Å; F329-Y358 HydrophobicContact CZ-CE1 3.73Å; F329-Y358 WeakPolarHBondContact CZ-OH 3.48Å; F329-P360 HydrophobicContact CE2-CB 3.65Å; F329-P360 HydrophobicContact CZ-CB 3.76Å; F329-I361 HydrophobicContact CB-CD1 4.37Å; F329-I361 HydrophobicContact CB-CG1 3.92Å; F329-I361 HydrophobicContact CD2-CG1 3.65Å; F329-I361 HydrophobicContact CE2-CG1 4.42Å; F329-I361 HydrophobicContact CG-CG1 4.2Å; F329-T364 HydrophobicContact CD2-CG2 4.12Å; F329-T364 HydrophobicContact CE2-CG2 3.71Å; F329-F598 HydrophobicContact CD2-CE1 4.19Å; F329-F598 AromaticContact CE1-CD1 3.94Å; F329-F598 HydrophobicContact CE1-CD1 3.94Å; F329-F598 AromaticContact CE1-CE1 3.73Å; F329-F598 HydrophobicContact CE1-CE1 3.73Å; F329-F598 AromaticContact CE2-CD1 3.39Å; F329-F598 HydrophobicContact CE2-CD1 3.39Å; F329-F598 AromaticContact CE2-CE1 3.14Å; F329-F598 HydrophobicContact CE2-CE1 3.14Å; F329-F598 HydrophobicContact CE2-CZ 4.36Å; F329-F598 AromaticContact CZ-CD1 2.94Å; F329-F598 HydrophobicContact CZ-CD1 2.94Å; F329-F598 AromaticContact CZ-CE1 2.93Å; F329-F598 HydrophobicContact CZ-CE1 2.93Å; F329-F598 AromaticContact CZ-CG 4Å; F329-F598 HydrophobicContact CZ-CG 4Å; F329-F598 HydrophobicContact CZ-CZ 4.04Å
330S93.6Very high92.4Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-60-39.9176.277.20000112.4S314 L326 A327 C333 Y334S314-S330 VanDerWaalsContact CA-OG 3.3Å; S314-S330 WeakPolarHBondContact CA-OG 3.43Å; S314-S330 VanDerWaalsContact CB-OG 3.25Å; S314-S330 WeakPolarHBondContact CB-OG 3.4Å; L326-S330 PolarHBondContact O-N 2.9Å; A327-S330 WeakPolarHBondContact O-CB 3.15Å; A327-S330 PolarHBondContact O-N 3.33Å; A327-S330 PolarHBondContact O-OG 3.25Å; S330-C333 PolarHBondContact O-N 2.86Å; S330-Y334 PolarHBondContact O-N 3.41Å
331V95.1Very high92.3Very high18 Ų1837.9 Ų37.911%0.10919%0.193CC..Hα-helixtrans-65.7-43.3174.81760000110.9M318 A327 W328 F329 C333 Y334 Y335 H347M318-V331 HydrophobicContact CE-CG2 3.64Å; M318-V331 HydrophobicContact CG-CG2 4.05Å; A327-V331 PolarHBondContact O-N 2.91Å; W328-V331 PolarHBondContact O-N 3.34Å; F329-V331 VanDerWaalsContact C-N 3.3Å; F329-V331 PolarHBondContact O-N 2.88Å; V331-C333 VanDerWaalsContact C-N 3.32Å; V331-C333 PolarHBondContact O-N 3.32Å; V331-Y334 WeakPolarHBondContact O-CB 3.21Å; V331-Y334 PolarHBondContact O-N 2.94Å; V331-Y335 HydrophobicContact CG1-CD2 3.81Å; V331-Y335 HydrophobicContact CG1-CE2 3.51Å; V331-Y335 WeakPolarHBondContact O-CD2 3.44Å; V331-Y335 PolarHBondContact O-N 3.49Å; V331-Y335 VanDerWaalsContact O-N 3.09Å; V331-H347 HydrophobicContact CG1-CB 4.26Å
332G93.6Very high92.4Very high0 Ų037.9 Ų37.90%020%0.196CC..Hα-helixtrans-58.7-42.7174.200000112.6W328 F329 Y334 Y335 L336 A344W328-G332 PolarHBondContact O-N 3.17Å; F329-G332 PolarHBondContact O-N 3.43Å; F329-G332 VanDerWaalsContact O-N 3.16Å; G332-Y334 VanDerWaalsContact C-N 3.35Å; G332-Y334 PolarHBondContact O-N 3.03Å; G332-Y335 PolarHBondContact O-N 3.37Å; G332-L336 WeakPolarHBondContact O-CG 3.49Å; G332-L336 PolarHBondContact O-N 3.49Å; G332-A344 WeakPolarHBondContact O-CB 2.88Å
333C92.1Very high92.5Very high0 Ų036.7 Ų36.70%019%0.185CC..Hα-helixtrans-65.5-37.9176.9-61.50000112.2I298 L310 F329 S330 V331 L336 C337 F598I298-C333 HydrophobicContact CG2-CB 3.89Å; L310-C333 HydrophobicContact CD2-CB 4.22Å; F329-C333 PolarHBondContact O-N 2.78Å; F329-C333 PolarHBondContact O-SG 2.72Å; S330-C333 PolarHBondContact O-N 2.86Å; V331-C333 VanDerWaalsContact C-N 3.32Å; V331-C333 PolarHBondContact O-N 3.32Å; C333-L336 WeakPolarHBondContact O-CB 3.38Å; C333-L336 PolarHBondContact O-N 3.39Å; C333-C337 PolarHBondContact O-N 2.87Å; C333-C337 PolarHBondContact O-SG 3.27Å; C333-C337 VanDerWaalsContact O-SG 3.35Å; C333-F598 HydrophobicContact CB-CZ 4.34Å; C333-F598 VanDerWaalsContact SG-CE1 3.53Å; C333-F598 WeakPolarHBondContact SG-CZ 3.44Å
334Y95.2Very high92.7Very high40 Ų4032 Ų3216%0.15715%0.152CC..Hα-helixtrans-59.3-49.3173.7166.6-107.1000112.1F311 S330 V331 G332 L336 C337 I338F311-Y334 HydrophobicContact CB-CD2 3.9Å; F311-Y334 HydrophobicContact CB-CE2 3.56Å; F311-Y334 HydrophobicContact CD2-CD1 4.37Å; F311-Y334 HydrophobicContact CD2-CD2 4.36Å; F311-Y334 AromaticContact CD2-CE1 3.77Å; F311-Y334 HydrophobicContact CD2-CE1 3.77Å; F311-Y334 AromaticContact CD2-CE2 3.77Å; F311-Y334 HydrophobicContact CD2-CE2 3.77Å; F311-Y334 AromaticContact CD2-CZ 3.41Å; F311-Y334 VanDerWaalsContact CD2-CZ 3.41Å; F311-Y334 HydrophobicContact CE2-CE1 4.35Å; F311-Y334 HydrophobicContact CG-CE2 4.06Å; S330-Y334 PolarHBondContact O-N 3.41Å; V331-Y334 WeakPolarHBondContact O-CB 3.21Å; V331-Y334 PolarHBondContact O-N 2.94Å; G332-Y334 VanDerWaalsContact C-N 3.35Å; G332-Y334 PolarHBondContact O-N 3.03Å; Y334-L336 VanDerWaalsContact C-N 3.28Å; Y334-L336 PolarHBondContact O-N 3.29Å; Y334-C337 WeakPolarHBondContact O-CB 3.5Å; Y334-C337 PolarHBondContact O-N 2.99Å; Y334-C337 VanDerWaalsContact O-N 3.11Å; Y334-I338 HydrophobicContact CD1-CD1 4.41Å; Y334-I338 HydrophobicContact CD2-CD1 4.1Å; Y334-I338 HydrophobicContact CE1-CD1 3.72Å; Y334-I338 HydrophobicContact CE2-CD1 3.32Å; Y334-I338 HydrophobicContact CE2-CG1 4.23Å; Y334-I338 PolarHBondContact O-N 3.25Å; Y334-I338 WeakPolarHBondContact OH-CD1 3.42Å
335Y94.9Very high92.9Very high26 Ų2632 Ų3210%0.10215%0.148CC..Hα-helixtrans-66.1-31178.1-74.8-65.4000112.9V331 G332 I338 K339 K340 L343 H347V331-Y335 HydrophobicContact CG1-CD2 3.81Å; V331-Y335 HydrophobicContact CG1-CE2 3.51Å; V331-Y335 WeakPolarHBondContact O-CD2 3.44Å; V331-Y335 PolarHBondContact O-N 3.49Å; V331-Y335 VanDerWaalsContact O-N 3.09Å; G332-Y335 PolarHBondContact O-N 3.37Å; Y335-I338 PolarHBondContact O-N 3.09Å; Y335-K339 PolarHBondContact O-N 2.88Å; Y335-K340 HydrophobicContact CD1-CB 4.34Å; Y335-K340 PolarHBondContact O-N 3.15Å; Y335-L343 HydrophobicContact CD1-CB 3.93Å; Y335-L343 HydrophobicContact CD1-CD1 3.98Å; Y335-L343 HydrophobicContact CD2-CB 4.33Å; Y335-L343 HydrophobicContact CE1-CB 4.26Å; Y335-L343 HydrophobicContact CE1-CD1 3.74Å; Y335-L343 HydrophobicContact CG-CB 3.98Å; Y335-H347 AromaticContact CD2-CD2 3.44Å; Y335-H347 VanDerWaalsContact CD2-CD2 3.44Å; Y335-H347 WeakPolarHBondContact CD2-CD2 3.36Å; Y335-H347 AromaticContact CD2-NE2 3.95Å; Y335-H347 AromaticContact CE2-CD2 3.32Å; Y335-H347 WeakPolarHBondContact CE2-CD2 3.16Å; Y335-H347 AromaticContact CE2-NE2 3.34Å; Y335-H347 VanDerWaalsContact CE2-NE2 3.34Å; Y335-H347 WeakPolarHBondContact CE2-NE2 3.32Å
336L91Very high93Very high4 Ų438.7 Ų38.72%0.02117%0.173CC..Hα-helixtrans-64.2-39.8170.1-75.3175.7000112.4G332 C333 Y334 I338 K339 A344 L348 A368 I596G332-L336 WeakPolarHBondContact O-CG 3.49Å; G332-L336 PolarHBondContact O-N 3.49Å; C333-L336 WeakPolarHBondContact O-CB 3.38Å; C333-L336 PolarHBondContact O-N 3.39Å; Y334-L336 VanDerWaalsContact C-N 3.28Å; Y334-L336 PolarHBondContact O-N 3.29Å; L336-I338 VanDerWaalsContact C-N 3.27Å; L336-I338 PolarHBondContact O-N 3.41Å; L336-K339 PolarHBondContact O-N 2.51Å; L336-K339 VanDerWaalsContact O-N 3.09Å; L336-A344 HydrophobicContact CD2-CB 3.83Å; L336-A344 HydrophobicContact CG-CB 3.69Å; L336-L348 HydrophobicContact CD1-CD1 4.24Å; L336-A368 HydrophobicContact CD2-CB 3.79Å; L336-I596 HydrophobicContact CD1-CD1 3.77Å
337C90Very high93.1Very high23 Ų2340.5 Ų40.516%0.15518%0.181CC..Hα-helixtrans-60.1-38.5173.9-68.20000112.2K302 A307 L310 C333 Y334 K339K302-C337 VanDerWaalsContact CG-SG 3.54Å; A307-C337 HydrophobicContact CB-CB 4.31Å; L310-C337 VanDerWaalsContact CD2-SG 3.51Å; C333-C337 PolarHBondContact O-N 2.87Å; C333-C337 PolarHBondContact O-SG 3.27Å; C333-C337 VanDerWaalsContact O-SG 3.35Å; Y334-C337 WeakPolarHBondContact O-CB 3.5Å; Y334-C337 PolarHBondContact O-N 2.99Å; Y334-C337 VanDerWaalsContact O-N 3.11Å; C337-K339 PolarHBondContact O-N 3.29Å
338I92.8Very high93.2Very high64 Ų6440.5 Ų40.533%0.32818%0.181SC..THydrogen-bonded Turntrans-79.5-3.6179.5-64176.3000112A307 Y334 Y335 L336 K340A307-I338 HydrophobicContact CB-CG1 4.46Å; Y334-I338 HydrophobicContact CD1-CD1 4.41Å; Y334-I338 HydrophobicContact CD2-CD1 4.1Å; Y334-I338 HydrophobicContact CE1-CD1 3.72Å; Y334-I338 HydrophobicContact CE2-CD1 3.32Å; Y334-I338 HydrophobicContact CE2-CG1 4.23Å; Y334-I338 PolarHBondContact O-N 3.25Å; Y334-I338 WeakPolarHBondContact OH-CD1 3.42Å; Y335-I338 PolarHBondContact O-N 3.09Å; L336-I338 VanDerWaalsContact C-N 3.27Å; L336-I338 PolarHBondContact O-N 3.41Å; I338-K340 HydrophobicContact CG2-CD 3.99Å; I338-K340 HydrophobicContact CG2-CG 4.01Å; I338-K340 PolarHBondContact O-N 3.37Å
339K87.3Confident93.2Very high144 Ų14441.2 Ų41.263%0.62619%0.19SC*.THydrogen-bonded Turntrans62.726.1-176.1-51.3178.7179.4178.30113.4Y335 L336 C337 N341Y335-K339 PolarHBondContact O-N 2.88Å; L336-K339 PolarHBondContact O-N 2.51Å; L336-K339 VanDerWaalsContact O-N 3.09Å; C337-K339 PolarHBondContact O-N 3.29Å; K339-N341 PolarHBondContact O-N 3.22Å
340K92.5Very high93.2Very high119 Ų11945.8 Ų45.852%0.51721%0.21SC..  trans-94.472.3171-73.5-179.6-176.6-177.70109.3Y335 I338 E342 L343 A344Y335-K340 HydrophobicContact CD1-CB 4.34Å; Y335-K340 PolarHBondContact O-N 3.15Å; I338-K340 HydrophobicContact CG2-CD 3.99Å; I338-K340 HydrophobicContact CG2-CG 4.01Å; I338-K340 PolarHBondContact O-N 3.37Å; K340-E342 PolarHBondContact O-N 2.97Å; K340-L343 HydrophobicContact CB-CD1 4.35Å; K340-L343 HydrophobicContact CD-CD1 4.04Å; K340-L343 PolarHBondContact O-N 2.98Å; K340-A344 PolarHBondContact O-N 3.32Å; K340-A344 VanDerWaalsContact O-N 3.11Å
341N90.4Very high93.3Very high21 Ų2145.8 Ų45.811%0.11221%0.21CC..Hα-helixtrans-61.7-38.4-169.9-61.2-19.9000113.4K339 L343 A344 R345 A371 D372K339-N341 PolarHBondContact O-N 3.22Å; N341-L343 PolarHBondContact O-N 2.94Å; N341-A344 WeakPolarHBondContact O-CB 3.21Å; N341-A344 PolarHBondContact O-N 3.19Å; N341-R345 WeakPolarHBondContact O-CG 3.35Å; N341-R345 PolarHBondContact O-N 2.95Å; N341-A371 WeakPolarHBondContact ND2-CB 3.28Å; N341-D372 WeakPolarHBondContact CB-OD1 3.48Å; N341-D372 PolarHBondContact ND2-OD1 3.48Å
342E93Very high93.2Very high85 Ų8545.6 Ų45.640%0.39721%0.209SC..Hα-helixtrans-60.5-45.3177.7175.156.3-158.400112.7K340 R345 R346K340-E342 PolarHBondContact O-N 2.97Å; E342-R345 PolarHBondContact O-N 3.35Å; E342-R345 IonicContact OE2-CZ 3.54Å; E342-R345 IonicContact OE2-NE 3.78Å; E342-R345 PolarHBondContact OE2-NE 3.24Å; E342-R345 IonicContact OE2-NH2 2.58Å; E342-R345 PolarHBondContact OE2-NH2 2.92Å; E342-R346 PolarHBondContact O-N 3.45Å; E342-R346 IonicContact OE1-CZ 3.19Å; E342-R346 IonicContact OE1-NE 3.56Å; E342-R346 PolarHBondContact OE1-NE 3.02Å; E342-R346 IonicContact OE1-NH2 3.79Å; E342-R346 PolarHBondContact OE1-NH2 3.25Å
343L94.1Very high93.2Very high55 Ų5552.7 Ų52.729%0.28824%0.242SC..Hα-helixtrans-67.1-40.7176.3-64.5-180000111Y335 K340 N341 R345 R346 H347Y335-L343 HydrophobicContact CD1-CB 3.93Å; Y335-L343 HydrophobicContact CD1-CD1 3.98Å; Y335-L343 HydrophobicContact CD2-CB 4.33Å; Y335-L343 HydrophobicContact CE1-CB 4.26Å; Y335-L343 HydrophobicContact CE1-CD1 3.74Å; Y335-L343 HydrophobicContact CG-CB 3.98Å; K340-L343 HydrophobicContact CB-CD1 4.35Å; K340-L343 HydrophobicContact CD-CD1 4.04Å; K340-L343 PolarHBondContact O-N 2.98Å; N341-L343 PolarHBondContact O-N 2.94Å; L343-R345 VanDerWaalsContact C-N 3.32Å; L343-R345 PolarHBondContact O-N 3.4Å; L343-R346 PolarHBondContact O-N 3.47Å; L343-H347 PolarHBondContact O-CD2 3.19Å; L343-H347 PolarHBondContact O-N 3.17Å
344A94Very high93.1Very high0 Ų056.9 Ų56.90%026%0.264CS..Hα-helixtrans-56.3-46.9175.800000111.6G332 L336 K340 N341 R346 H347 L348G332-A344 WeakPolarHBondContact O-CB 2.88Å; L336-A344 HydrophobicContact CD2-CB 3.83Å; L336-A344 HydrophobicContact CG-CB 3.69Å; K340-A344 PolarHBondContact O-N 3.32Å; K340-A344 VanDerWaalsContact O-N 3.11Å; N341-A344 WeakPolarHBondContact O-CB 3.21Å; N341-A344 PolarHBondContact O-N 3.19Å; A344-R346 PolarHBondContact O-N 2.78Å; A344-H347 PolarHBondContact O-N 3.15Å; A344-L348 WeakPolarHBondContact O-CB 3.24Å; A344-L348 VanDerWaalsContact O-CG 3.22Å; A344-L348 WeakPolarHBondContact O-CG 3.46Å; A344-L348 PolarHBondContact O-N 3.23Å
345R94.4Very high92.7Very high22 Ų2256.8 Ų56.88%0.08327%0.267CS..Hα-helixtrans-57.4-46.6178-75.7-167.4-67.2-89.77.9112.7N341 E342 L343 H347 L348 V349 A368 F369 D372N341-R345 WeakPolarHBondContact O-CG 3.35Å; N341-R345 PolarHBondContact O-N 2.95Å; E342-R345 PolarHBondContact O-N 3.35Å; E342-R345 IonicContact OE2-CZ 3.54Å; E342-R345 IonicContact OE2-NE 3.78Å; E342-R345 PolarHBondContact OE2-NE 3.24Å; E342-R345 IonicContact OE2-NH2 2.58Å; E342-R345 PolarHBondContact OE2-NH2 2.92Å; L343-R345 VanDerWaalsContact C-N 3.32Å; L343-R345 PolarHBondContact O-N 3.4Å; R345-H347 VanDerWaalsContact C-N 3.3Å; R345-H347 PolarHBondContact O-N 2.98Å; R345-L348 PolarHBondContact O-N 3.21Å; R345-V349 WeakPolarHBondContact O-CB 3.44Å; R345-V349 VanDerWaalsContact O-CG2 3.26Å; R345-V349 WeakPolarHBondContact O-CG2 3.36Å; R345-V349 PolarHBondContact O-N 3.4Å; R345-A368 HydrophobicContact CG-CB 3.8Å; R345-A368 PolarHBondContact NH1-O 2.91Å; R345-F369 VanDerWaalsContact CD-CD1 3.45Å; R345-F369 HydrophobicContact CG-CE1 4.33Å; R345-D372 IonicContact CZ-OD2 2.81Å; R345-D372 VanDerWaalsContact NH1-CG 3.3Å; R345-D372 IonicContact NH1-OD1 3.28Å; R345-D372 IonicContact NH1-OD2 3.5Å; R345-D372 PolarHBondContact NH1-OD2 3.29Å; R345-D372 IonicContact NH2-OD2 3.33Å; R345-D372 PolarHBondContact NH2-OD2 2.88Å
346R95.4Very high92.3Very high146 Ų14662.7 Ų62.755%0.55129%0.289SS*.Hα-helixtrans-56.9-45-179.9-66.7177-170.6-170.80.2111.8E342 L343 A344 K350E342-R346 PolarHBondContact O-N 3.45Å; E342-R346 IonicContact OE1-CZ 3.19Å; E342-R346 IonicContact OE1-NE 3.56Å; E342-R346 PolarHBondContact OE1-NE 3.02Å; E342-R346 IonicContact OE1-NH2 3.79Å; E342-R346 PolarHBondContact OE1-NH2 3.25Å; L343-R346 PolarHBondContact O-N 3.47Å; A344-R346 PolarHBondContact O-N 2.78Å; R346-K350 PolarHBondContact O-N 3.38Å; R346-K350 VanDerWaalsContact O-N 3.13Å
347H94.6Very high91.9Very high41 Ų4165.9 Ų65.919%0.1930%0.3CS..Hα-helixtrans-71.9-36.2178.5-63.6-57.6000113W328 V331 Y335 L343 A344 R345 K350 A351W328-H347 HydrophobicContact CE3-CB 4.36Å; W328-H347 AromaticContact CE3-ND1 3.71Å; W328-H347 AromaticContact CZ3-ND1 3.45Å; W328-H347 WeakPolarHBondContact CZ3-ND1 3.32Å; V331-H347 HydrophobicContact CG1-CB 4.26Å; Y335-H347 AromaticContact CD2-CD2 3.44Å; Y335-H347 VanDerWaalsContact CD2-CD2 3.44Å; Y335-H347 WeakPolarHBondContact CD2-CD2 3.36Å; Y335-H347 AromaticContact CD2-NE2 3.95Å; Y335-H347 AromaticContact CE2-CD2 3.32Å; Y335-H347 WeakPolarHBondContact CE2-CD2 3.16Å; Y335-H347 AromaticContact CE2-NE2 3.34Å; Y335-H347 VanDerWaalsContact CE2-NE2 3.34Å; Y335-H347 WeakPolarHBondContact CE2-NE2 3.32Å; L343-H347 PolarHBondContact O-CD2 3.19Å; L343-H347 PolarHBondContact O-N 3.17Å; A344-H347 PolarHBondContact O-N 3.15Å; R345-H347 VanDerWaalsContact C-N 3.3Å; R345-H347 PolarHBondContact O-N 2.98Å; H347-K350 PolarHBondContact O-N 3.42Å; H347-A351 WeakPolarHBondContact O-CB 3.31Å; H347-A351 PolarHBondContact O-N 3.35Å
348L94.7Very high91.6Very high0 Ų064.8 Ų64.80%029%0.293CS..Hα-helixtrans-70-38.2176.3-69.9174.1000112.5F329 L336 A344 R345 K350 A351 S352 I361 T364 L365 A368F329-L348 HydrophobicContact CD2-CD2 4.34Å; L336-L348 HydrophobicContact CD1-CD1 4.24Å; A344-L348 WeakPolarHBondContact O-CB 3.24Å; A344-L348 VanDerWaalsContact O-CG 3.22Å; A344-L348 WeakPolarHBondContact O-CG 3.46Å; A344-L348 PolarHBondContact O-N 3.23Å; R345-L348 PolarHBondContact O-N 3.21Å; L348-K350 VanDerWaalsContact C-N 3.33Å; L348-A351 WeakPolarHBondContact O-CB 3.44Å; L348-A351 PolarHBondContact O-N 3.23Å; L348-S352 PolarHBondContact O-N 3.09Å; L348-I361 WeakPolarHBondContact O-CG2 3.46Å; L348-T364 WeakPolarHBondContact CD1-OG1 3.19Å; L348-T364 WeakPolarHBondContact CD2-OG1 3.38Å; L348-L365 HydrophobicContact CB-CB 4.41Å; L348-L365 HydrophobicContact CB-CD1 4.18Å; L348-L365 HydrophobicContact CD1-CB 4.41Å; L348-A368 HydrophobicContact CD1-CB 4.49Å
349V95.4Very high91.1Very high58 Ų5861.7 Ų61.735%0.35228%0.277SS..Hα-helixtrans-61.6-45.1172.4171.10000109.6R345 A351 S352 Q353 L365R345-V349 WeakPolarHBondContact O-CB 3.44Å; R345-V349 VanDerWaalsContact O-CG2 3.26Å; R345-V349 WeakPolarHBondContact O-CG2 3.36Å; R345-V349 PolarHBondContact O-N 3.4Å; V349-A351 VanDerWaalsContact C-N 3.32Å; V349-A351 PolarHBondContact O-N 3.38Å; V349-S352 PolarHBondContact O-N 3.42Å; V349-S352 VanDerWaalsContact O-N 3.15Å; V349-S352 PolarHBondContact O-OG 2.9Å; V349-Q353 WeakPolarHBondContact O-CG 3.39Å; V349-Q353 PolarHBondContact O-N 2.87Å; V349-Q353 VanDerWaalsContact O-N 3.1Å; V349-L365 HydrophobicContact CG2-CD1 3.78Å
350K94Very high91Very high95 Ų9554.9 Ų54.941%0.41325%0.247SC..Hα-helixtrans-59.6-41.9173.6-173171.6-178.9178.50112.1W328 R346 H347 L348 S352 Q353 L354W328-K350 HydrophobicContact CD2-CD 3.85Å; W328-K350 HydrophobicContact CD2-CG 4.18Å; W328-K350 HydrophobicContact CE3-CD 3.81Å; W328-K350 HydrophobicContact CE3-CG 4.41Å; W328-K350 HydrophobicContact CH2-CD 3.84Å; W328-K350 HydrophobicContact CZ2-CD 3.86Å; W328-K350 HydrophobicContact CZ3-CD 3.8Å; R346-K350 PolarHBondContact O-N 3.38Å; R346-K350 VanDerWaalsContact O-N 3.13Å; H347-K350 PolarHBondContact O-N 3.42Å; L348-K350 VanDerWaalsContact C-N 3.33Å; K350-S352 VanDerWaalsContact C-N 3.33Å; K350-S352 PolarHBondContact O-N 3.41Å; K350-Q353 PolarHBondContact O-N 3.2Å; K350-L354 PolarHBondContact O-N 3.33Å
351A94.4Very high90.9Very high0 Ų049.2 Ų49.20%022%0.223CC..Hα-helixtrans-60.4-42.4175.100000111.9W328 H347 L348 V349 Q353 L354 D355 I361W328-A351 HydrophobicContact CB-CB 3.56Å; H347-A351 WeakPolarHBondContact O-CB 3.31Å; H347-A351 PolarHBondContact O-N 3.35Å; L348-A351 WeakPolarHBondContact O-CB 3.44Å; L348-A351 PolarHBondContact O-N 3.23Å; V349-A351 VanDerWaalsContact C-N 3.32Å; V349-A351 PolarHBondContact O-N 3.38Å; A351-Q353 VanDerWaalsContact C-N 3.29Å; A351-Q353 PolarHBondContact O-N 3.11Å; A351-L354 PolarHBondContact O-N 3Å; A351-D355 PolarHBondContact O-N 3.26Å; A351-D355 VanDerWaalsContact O-N 3.1Å; A351-I361 HydrophobicContact CB-CD1 3.47Å; A351-I361 VanDerWaalsContact CB-CD1 3.47Å; A351-I361 HydrophobicContact CB-CG1 3.88Å; A351-I361 HydrophobicContact CB-CG2 4.3Å
352S93.1Very high91.1Very high14 Ų1450.2 Ų50.210%0.09823%0.225CC..Hα-helixtrans-66.8-28.218077.20000113.6L348 V349 K350 D355 R356L348-S352 PolarHBondContact O-N 3.09Å; V349-S352 PolarHBondContact O-N 3.42Å; V349-S352 VanDerWaalsContact O-N 3.15Å; V349-S352 PolarHBondContact O-OG 2.9Å; K350-S352 VanDerWaalsContact C-N 3.33Å; K350-S352 PolarHBondContact O-N 3.41Å; S352-D355 CarbonylContact O-C 3.49Å; S352-R356 PolarHBondContact O-N 2.9Å
353Q93.3Very high91Very high150 Ų15046.2 Ų46.270%0.70121%0.207SC*.Hα-helixtrans-73.3-31.3175.2-70.2172.70.500111.9V349 K350 A351V349-Q353 WeakPolarHBondContact O-CG 3.39Å; V349-Q353 PolarHBondContact O-N 2.87Å; V349-Q353 VanDerWaalsContact O-N 3.1Å; K350-Q353 PolarHBondContact O-N 3.2Å; A351-Q353 VanDerWaalsContact C-N 3.29Å; A351-Q353 PolarHBondContact O-N 3.11Å
354L91.1Very high90.8Very high87 Ų8743.6 Ų43.646%0.45519%0.193SC..Hα-helixtrans-73.5-49.2175.6-66172.2000111.1A325 W328 K350 A351A325-L354 HydrophobicContact CB-CB 4.06Å; W328-L354 HydrophobicContact CG-CD1 4.14Å; K350-L354 PolarHBondContact O-N 3.33Å; A351-L354 PolarHBondContact O-N 3Å
355D85.4Confident90.9Very high39 Ų3944 Ų4421%0.20920%0.195CC..  trans-135.1106.4174.9-169.8-2.2000111.8A325 A351 S352 R357 Y358A325-D355 HydrophobicContact CB-CB 3.59Å; A351-D355 PolarHBondContact O-N 3.26Å; A351-D355 VanDerWaalsContact O-N 3.1Å; S352-D355 CarbonylContact O-C 3.49Å; D355-R357 VanDerWaalsContact C-N 3.26Å; D355-R357 PolarHBondContact O-N 3.49Å; D355-R357 WeakPolarHBondContact OD1-CA 3.39Å; D355-R357 WeakPolarHBondContact OD1-CB 3.36Å; D355-R357 PolarHBondContact OD1-N 2.96Å; D355-Y358 PolarHBondContact OD1-N 3.3Å
356R86.8Confident90.8Very high150 Ų15042.9 Ų42.957%0.56619%0.191SC*.THydrogen-bonded Turntrans-70.8-22.2176.5-175.1174.5-180-163.32112.5E170 S352 W362E170-R356 IonicContact OE1-NH1 2.82Å; S352-R356 PolarHBondContact O-N 2.9Å; R356-W362 HydrophobicContact CG-CZ2 4.2Å; R356-W362 PolarHBondContact O-NE1 3.32Å
357R83Confident90.5Very high70 Ų7036.6 Ų36.626%0.26417%0.168SC..THydrogen-bonded Turntrans-90.7-11.4-174.8-59.7-177.7-177.21594.9113.1E167 D355 G359 V388E167-R357 PolarHBondContact O-NH2 3Å; E167-R357 IonicContact OE1-CZ 2.8Å; E167-R357 IonicContact OE1-NH1 2.95Å; E167-R357 PolarHBondContact OE1-NH1 3.12Å; D355-R357 VanDerWaalsContact C-N 3.26Å; D355-R357 PolarHBondContact O-N 3.49Å; D355-R357 WeakPolarHBondContact OD1-CA 3.39Å; D355-R357 WeakPolarHBondContact OD1-CB 3.36Å; D355-R357 PolarHBondContact OD1-N 2.96Å; R357-G359 VanDerWaalsContact C-N 3.28Å; R357-G359 PolarHBondContact O-N 3.49Å; R357-V388 WeakPolarHBondContact O-CG1 3.5Å
358Y82.9Confident90.4Very high0 Ų034.7 Ų34.70%016%0.159CC..  trans-73.687.6176.3-170.3-92.2000109.7L326 F329 D355 P360 I361 V601L326-Y358 WeakPolarHBondContact CD1-OH 3.4Å; F329-Y358 HydrophobicContact CB-CE1 4.45Å; F329-Y358 HydrophobicContact CD1-CE1 4.23Å; F329-Y358 AromaticContact CD2-CE1 3.82Å; F329-Y358 HydrophobicContact CD2-CE1 3.82Å; F329-Y358 HydrophobicContact CE1-CE1 4.15Å; F329-Y358 VanDerWaalsContact CE1-OH 3.29Å; F329-Y358 WeakPolarHBondContact CE1-OH 3.44Å; F329-Y358 AromaticContact CE2-CE1 3.67Å; F329-Y358 HydrophobicContact CE2-CE1 3.67Å; F329-Y358 AromaticContact CG-CE1 3.97Å; F329-Y358 HydrophobicContact CG-CE1 3.97Å; F329-Y358 AromaticContact CZ-CE1 3.73Å; F329-Y358 HydrophobicContact CZ-CE1 3.73Å; F329-Y358 WeakPolarHBondContact CZ-OH 3.48Å; D355-Y358 PolarHBondContact OD1-N 3.3Å; Y358-P360 VanDerWaalsContact C-N 3.3Å; Y358-P360 HydrophobicContact CD1-CB 4.23Å; Y358-P360 HydrophobicContact CD1-CG 4.28Å; Y358-P360 HydrophobicContact CE1-CB 3.71Å; Y358-P360 HydrophobicContact CE1-CG 3.9Å; Y358-I361 HydrophobicContact CD1-CB 4.05Å; Y358-I361 HydrophobicContact CD1-CD1 3.32Å; Y358-I361 HydrophobicContact CD1-CG1 3.4Å; Y358-I361 VanDerWaalsContact CD1-CG1 3.4Å; Y358-I361 HydrophobicContact CE1-CD1 4.08Å; Y358-I361 HydrophobicContact CE1-CG1 3.86Å; Y358-I361 HydrophobicContact CG-CD1 4Å; Y358-I361 HydrophobicContact CG-CG1 4.48Å; Y358-I361 PolarHBondContact O-N 3.14Å; Y358-I361 VanDerWaalsContact O-N 3.14Å; Y358-V601 HydrophobicContact CD2-CB 3.72Å; Y358-V601 HydrophobicContact CD2-CG1 3.78Å; Y358-V601 HydrophobicContact CE2-CB 3.91Å; Y358-V601 HydrophobicContact CE2-CG1 4.35Å; Y358-V601 WeakPolarHBondContact CE2-O 3.32Å
359G83.1Confident90.3Very high0 Ų035.7 Ų35.70%016%0.163CC..Hα-helixtrans-50-38.5-176.500000115.5R357 I361 W362 L363R357-G359 VanDerWaalsContact C-N 3.28Å; R357-G359 PolarHBondContact O-N 3.49Å; G359-I361 PolarHBondContact O-N 3.36Å; G359-W362 PolarHBondContact O-N 3.48Å; G359-W362 VanDerWaalsContact O-N 3.13Å; G359-L363 PolarHBondContact O-N 2.94Å
360P85.6Confident90Very high0 Ų033.3 Ų33.30%015%0.149CC..Hα-helixtrans-62.6-28.8-178.7-23.733.8000113.8F329 Y358 W362 L363 T364 F598 K599 V601F329-P360 HydrophobicContact CE2-CB 3.65Å; F329-P360 HydrophobicContact CZ-CB 3.76Å; Y358-P360 VanDerWaalsContact C-N 3.3Å; Y358-P360 HydrophobicContact CD1-CB 4.23Å; Y358-P360 HydrophobicContact CD1-CG 4.28Å; Y358-P360 HydrophobicContact CE1-CB 3.71Å; Y358-P360 HydrophobicContact CE1-CG 3.9Å; P360-W362 PolarHBondContact O-N 3.41Å; P360-L363 PolarHBondContact O-N 2.95Å; P360-T364 WeakPolarHBondContact O-CG2 3.39Å; P360-T364 PolarHBondContact O-N 2.84Å; P360-T364 PolarHBondContact O-OG1 3.24Å; P360-F598 HydrophobicContact CB-CD1 3.88Å; P360-K599 WeakPolarHBondContact CG-O 3.41Å; P360-V601 HydrophobicContact CG-CG2 4.39Å
361I91.1Very high89.6Confident0 Ų030.7 Ų30.70%015%0.145CC..Hα-helixtrans-61-45.5174.8-76.1156.5000110.7A325 F329 L348 A351 Y358 G359 L363 T364 L365A325-I361 HydrophobicContact CB-CD1 3.98Å; F329-I361 HydrophobicContact CB-CD1 4.37Å; F329-I361 HydrophobicContact CB-CG1 3.92Å; F329-I361 HydrophobicContact CD2-CG1 3.65Å; F329-I361 HydrophobicContact CE2-CG1 4.42Å; F329-I361 HydrophobicContact CG-CG1 4.2Å; L348-I361 WeakPolarHBondContact O-CG2 3.46Å; A351-I361 HydrophobicContact CB-CD1 3.47Å; A351-I361 VanDerWaalsContact CB-CD1 3.47Å; A351-I361 HydrophobicContact CB-CG1 3.88Å; A351-I361 HydrophobicContact CB-CG2 4.3Å; Y358-I361 HydrophobicContact CD1-CB 4.05Å; Y358-I361 HydrophobicContact CD1-CD1 3.32Å; Y358-I361 HydrophobicContact CD1-CG1 3.4Å; Y358-I361 VanDerWaalsContact CD1-CG1 3.4Å; Y358-I361 HydrophobicContact CE1-CD1 4.08Å; Y358-I361 HydrophobicContact CE1-CG1 3.86Å; Y358-I361 HydrophobicContact CG-CD1 4Å; Y358-I361 HydrophobicContact CG-CG1 4.48Å; Y358-I361 PolarHBondContact O-N 3.14Å; Y358-I361 VanDerWaalsContact O-N 3.14Å; G359-I361 PolarHBondContact O-N 3.36Å; I361-L363 VanDerWaalsContact C-N 3.33Å; I361-L363 PolarHBondContact O-N 2.64Å; I361-T364 WeakPolarHBondContact CA-OG1 3.33Å; I361-T364 PolarHBondContact O-N 2.99Å; I361-T364 PolarHBondContact O-OG1 3.39Å; I361-L365 VanDerWaalsContact O-CB 3.24Å; I361-L365 WeakPolarHBondContact O-CB 3.4Å; I361-L365 PolarHBondContact O-N 3.19Å
362W93.4Very high89.3Confident42 Ų4234.1 Ų34.116%0.15916%0.164CC..Hα-helixtrans-64.2-38.7-179.6-64.9107.6000112.2R356 G359 P360 L365 G366 T384 A385R356-W362 HydrophobicContact CG-CZ2 4.2Å; R356-W362 PolarHBondContact O-NE1 3.32Å; G359-W362 PolarHBondContact O-N 3.48Å; G359-W362 VanDerWaalsContact O-N 3.13Å; P360-W362 PolarHBondContact O-N 3.41Å; W362-L365 HydrophobicContact CE3-CD2 4.47Å; W362-L365 PolarHBondContact O-N 3.43Å; W362-G366 PolarHBondContact O-N 3.21Å; W362-T384 VanDerWaalsContact CD2-OG1 3.27Å; W362-A385 HydrophobicContact CB-CB 3.68Å
363L91Very high88.9Confident2 Ų235.3 Ų35.31%0.0118%0.178CC..Hα-helixtrans-62.8-45.8172.1-75.1176.8000112.2G359 P360 I361 L365 G366 H367 Y382 A385 I389 P395 Y398G359-L363 PolarHBondContact O-N 2.94Å; P360-L363 PolarHBondContact O-N 2.95Å; I361-L363 VanDerWaalsContact C-N 3.33Å; I361-L363 PolarHBondContact O-N 2.64Å; L363-L365 VanDerWaalsContact C-N 3.28Å; L363-L365 PolarHBondContact O-N 3.2Å; L363-G366 PolarHBondContact O-N 3.35Å; L363-H367 PolarHBondContact O-N 3.38Å; L363-H367 PolarHBondContact O-ND1 3Å; L363-Y382 HydrophobicContact CD2-CD1 4.06Å; L363-Y382 HydrophobicContact CD2-CE1 4.41Å; L363-A385 HydrophobicContact CD2-CB 3.85Å; L363-A385 HydrophobicContact CG-CB 3.96Å; L363-I389 HydrophobicContact CD1-CD1 3.63Å; L363-I389 HydrophobicContact CG-CD1 4.09Å; L363-P395 HydrophobicContact CD2-CB 3.98Å; L363-P395 HydrophobicContact CD2-CG 3.93Å; L363-Y398 HydrophobicContact CD2-CD2 4.33Å
364T91.1Very high88.9Confident0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-62.4-37.2177.352.90000113.1F329 L348 P360 I361 H367 A368 I596 F598F329-T364 HydrophobicContact CD2-CG2 4.12Å; F329-T364 HydrophobicContact CE2-CG2 3.71Å; L348-T364 WeakPolarHBondContact CD1-OG1 3.19Å; L348-T364 WeakPolarHBondContact CD2-OG1 3.38Å; P360-T364 WeakPolarHBondContact O-CG2 3.39Å; P360-T364 PolarHBondContact O-N 2.84Å; P360-T364 PolarHBondContact O-OG1 3.24Å; I361-T364 WeakPolarHBondContact CA-OG1 3.33Å; I361-T364 PolarHBondContact O-N 2.99Å; I361-T364 PolarHBondContact O-OG1 3.39Å; T364-H367 PolarHBondContact O-N 3.47Å; T364-A368 WeakPolarHBondContact O-CB 3.29Å; T364-A368 PolarHBondContact O-N 3.37Å; T364-I596 HydrophobicContact CG2-CB 4.38Å; T364-I596 HydrophobicContact CG2-CD1 3.57Å; T364-I596 HydrophobicContact CG2-CG1 3.76Å; T364-I596 HydrophobicContact CG2-CG2 3.77Å; T364-F598 HydrophobicContact CG2-CD1 4.15Å; T364-F598 HydrophobicContact CG2-CE1 3.38Å; T364-F598 HydrophobicContact CG2-CZ 4.07Å
365L94.3Very high88.9Confident7 Ų730.1 Ų30.14%0.03715%0.151CC..Hα-helixtrans-70.8-36.8-178.8-175.7145.7000110.3L348 V349 I361 W362 L363 A368 F369L348-L365 HydrophobicContact CB-CB 4.41Å; L348-L365 HydrophobicContact CB-CD1 4.18Å; L348-L365 HydrophobicContact CD1-CB 4.41Å; V349-L365 HydrophobicContact CG2-CD1 3.78Å; I361-L365 VanDerWaalsContact O-CB 3.24Å; I361-L365 WeakPolarHBondContact O-CB 3.4Å; I361-L365 PolarHBondContact O-N 3.19Å; W362-L365 HydrophobicContact CE3-CD2 4.47Å; W362-L365 PolarHBondContact O-N 3.43Å; L363-L365 VanDerWaalsContact C-N 3.28Å; L363-L365 PolarHBondContact O-N 3.2Å; L365-A368 WeakPolarHBondContact O-CB 3.46Å; L365-A368 PolarHBondContact O-N 3.31Å; L365-F369 HydrophobicContact CD2-CD2 3.7Å; L365-F369 HydrophobicContact CD2-CE2 3.28Å; L365-F369 HydrophobicContact CD2-CZ 4.35Å; L365-F369 HydrophobicContact CG-CD2 4.32Å; L365-F369 HydrophobicContact CG-CE2 3.94Å; L365-F369 VanDerWaalsContact O-CD2 3.22Å; L365-F369 WeakPolarHBondContact O-CD2 3.26Å; L365-F369 PolarHBondContact O-N 3.13Å
366G92.9Very high89.4Confident0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-62.1-45.816900000113.3W362 L363 A368 F369 A370 S381 Y382W362-G366 PolarHBondContact O-N 3.21Å; L363-G366 PolarHBondContact O-N 3.35Å; G366-A368 VanDerWaalsContact C-N 3.25Å; G366-A368 PolarHBondContact O-N 3.42Å; G366-F369 PolarHBondContact O-N 3.41Å; G366-A370 VanDerWaalsContact O-CB 3.23Å; G366-A370 WeakPolarHBondContact O-CB 3.4Å; G366-A370 PolarHBondContact O-N 2.89Å; G366-S381 WeakPolarHBondContact CA-OG 3.39Å; G366-S381 PolarHBondContact N-OG 2.99Å; G366-Y382 VanDerWaalsContact C-CZ 3.42Å; G366-Y382 PolarHBondContact O-OH 3.26Å
367H88.9Confident89.8Confident14 Ų1432 Ų327%0.06517%0.17CC..Hα-helixtrans-60.7-37.2175.1-62.4145.1000112.3L363 T364 A370 A371 Y382 Y398 I596L363-H367 PolarHBondContact O-N 3.38Å; L363-H367 PolarHBondContact O-ND1 3Å; T364-H367 PolarHBondContact O-N 3.47Å; H367-A370 PolarHBondContact O-N 3.24Å; H367-A371 WeakPolarHBondContact O-CB 3.35Å; H367-A371 PolarHBondContact O-N 3.07Å; H367-Y382 WeakPolarHBondContact CA-OH 3.44Å; H367-Y382 AromaticContact CD2-CZ 4Å; H367-Y382 PolarHBondContact CD2-OH 3.29Å; H367-Y382 PolarHBondContact N-OH 3.17Å; H367-Y382 VanDerWaalsContact N-OH 3.13Å; H367-Y398 AromaticContact CE1-CE2 3.91Å; H367-Y398 AromaticContact CE1-CZ 3.91Å; H367-Y398 AromaticContact NE2-CD1 3.96Å; H367-Y398 AromaticContact NE2-CD2 3.77Å; H367-Y398 AromaticContact NE2-CE1 3.47Å; H367-Y398 WeakPolarHBondContact NE2-CE1 3.45Å; H367-Y398 AromaticContact NE2-CE2 3.22Å; H367-Y398 WeakPolarHBondContact NE2-CE2 3.39Å; H367-Y398 AromaticContact NE2-CZ 3.06Å; H367-Y398 PolarHBondContact NE2-OH 3.08Å; H367-I596 WeakPolarHBondContact ND1-CG1 3.36Å
368A92Very high90.3Very high0 Ų028.7 Ų28.70%016%0.157CC..Hα-helixtrans-65.3-39.2177.700000112.5L336 R345 L348 T364 L365 G366L336-A368 HydrophobicContact CD2-CB 3.79Å; R345-A368 HydrophobicContact CG-CB 3.8Å; R345-A368 PolarHBondContact NH1-O 2.91Å; L348-A368 HydrophobicContact CD1-CB 4.49Å; T364-A368 WeakPolarHBondContact O-CB 3.29Å; T364-A368 PolarHBondContact O-N 3.37Å; L365-A368 WeakPolarHBondContact O-CB 3.46Å; L365-A368 PolarHBondContact O-N 3.31Å; G366-A368 VanDerWaalsContact C-N 3.25Å; G366-A368 PolarHBondContact O-N 3.42Å
369F93.5Very high90.8Very high22 Ų2229.4 Ų29.410%0.09616%0.161CC..Hα-helixtrans-72-39.8175.2-76.5-53.8000112.6R345 L365 G366 A371 D372 G373 E374 Q377 A378R345-F369 VanDerWaalsContact CD-CD1 3.45Å; R345-F369 HydrophobicContact CG-CE1 4.33Å; L365-F369 HydrophobicContact CD2-CD2 3.7Å; L365-F369 HydrophobicContact CD2-CE2 3.28Å; L365-F369 HydrophobicContact CD2-CZ 4.35Å; L365-F369 HydrophobicContact CG-CD2 4.32Å; L365-F369 HydrophobicContact CG-CE2 3.94Å; L365-F369 VanDerWaalsContact O-CD2 3.22Å; L365-F369 WeakPolarHBondContact O-CD2 3.26Å; L365-F369 PolarHBondContact O-N 3.13Å; G366-F369 PolarHBondContact O-N 3.41Å; F369-A371 VanDerWaalsContact C-N 3.34Å; F369-A371 PolarHBondContact O-N 3Å; F369-D372 PolarHBondContact O-N 3.17Å; F369-D372 VanDerWaalsContact O-N 3.12Å; F369-G373 PolarHBondContact O-N 3.13Å; F369-E374 HydrophobicContact CB-CB 4.37Å; F369-E374 HydrophobicContact CD1-CB 4.25Å; F369-E374 WeakPolarHBondContact CD1-OE2 3.41Å; F369-E374 WeakPolarHBondContact CE1-OE2 3.29Å; F369-E374 PolarHBondContact O-N 2.82Å; F369-Q377 HydrophobicContact CB-CB 4.41Å; F369-Q377 HydrophobicContact CD1-CB 3.87Å; F369-Q377 HydrophobicContact CD2-CB 3.88Å; F369-Q377 HydrophobicContact CE1-CB 4.02Å; F369-Q377 HydrophobicContact CE2-CB 3.97Å; F369-Q377 HydrophobicContact CG-CB 3.83Å; F369-Q377 HydrophobicContact CZ-CB 4.09Å; F369-A378 HydrophobicContact CB-CB 3.76Å
370A89.3Confident91.4Very high7 Ų732.1 Ų32.16%0.05818%0.183CC..Hα-helixtrans-63.9-40.4-179.700000112.6G366 H367 D372 G373 A378 E402 P587G366-A370 VanDerWaalsContact O-CB 3.23Å; G366-A370 WeakPolarHBondContact O-CB 3.4Å; G366-A370 PolarHBondContact O-N 2.89Å; H367-A370 PolarHBondContact O-N 3.24Å; A370-D372 PolarHBondContact O-N 3.47Å; A370-G373 PolarHBondContact O-N 2.93Å; A370-A378 HydrophobicContact CB-CB 4.23Å; A370-E402 WeakPolarHBondContact CB-OE1 3.34Å; A370-P587 CarbonylContact C-O 3.42Å; A370-P587 VanDerWaalsContact C-O 3.24Å; A370-P587 HydrophobicContact CB-CB 3.49Å; A370-P587 VanDerWaalsContact CB-CB 3.49Å; A370-P587 HydrophobicContact CB-CG 3.85Å; A370-P587 WeakPolarHBondContact CB-O 3.48Å
371A85.9Confident91.9Very high40 Ų4032.3 Ų32.333%0.33118%0.184SC..Hα-helixtrans-62.5-24.9174.800000113.5N341 H367 F369N341-A371 WeakPolarHBondContact ND2-CB 3.28Å; H367-A371 WeakPolarHBondContact O-CB 3.35Å; H367-A371 PolarHBondContact O-N 3.07Å; F369-A371 VanDerWaalsContact C-N 3.34Å; F369-A371 PolarHBondContact O-N 3Å
372D87.9Confident92Very high73 Ų7332.3 Ų32.339%0.3918%0.184SC..THydrogen-bonded Turntrans-90.8-5.9174.3-80.514.8000113N341 R345 F369 A370 E374N341-D372 WeakPolarHBondContact CB-OD1 3.48Å; N341-D372 PolarHBondContact ND2-OD1 3.48Å; R345-D372 IonicContact CZ-OD2 2.81Å; R345-D372 VanDerWaalsContact NH1-CG 3.3Å; R345-D372 IonicContact NH1-OD1 3.28Å; R345-D372 IonicContact NH1-OD2 3.5Å; R345-D372 PolarHBondContact NH1-OD2 3.29Å; R345-D372 IonicContact NH2-OD2 3.33Å; R345-D372 PolarHBondContact NH2-OD2 2.88Å; F369-D372 PolarHBondContact O-N 3.17Å; F369-D372 VanDerWaalsContact O-N 3.12Å; A370-D372 PolarHBondContact O-N 3.47Å; D372-E374 HydrophobicContact CB-CG 4.4Å
373G85.1Confident92.1Very high38 Ų3832.5 Ų32.539%0.39219%0.192SC..THydrogen-bonded Turntrans79.913.3-176.200000114.5F369 A370 H375F369-G373 PolarHBondContact O-N 3.13Å; A370-G373 PolarHBondContact O-N 2.93Å; G373-H375 VanDerWaalsContact C-N 3.29Å; G373-H375 PolarHBondContact O-CD2 3Å; G373-H375 PolarHBondContact O-N 2.96Å
374E92.1Very high92.1Very high70 Ų7034.2 Ų34.233%0.32720%0.202SC..  trans-83.668.8178-63.8-169.8168.800111.5F369 D372 D376 Q377 A378F369-E374 HydrophobicContact CB-CB 4.37Å; F369-E374 HydrophobicContact CD1-CB 4.25Å; F369-E374 WeakPolarHBondContact CD1-OE2 3.41Å; F369-E374 WeakPolarHBondContact CE1-OE2 3.29Å; F369-E374 PolarHBondContact O-N 2.82Å; D372-E374 HydrophobicContact CB-CG 4.4Å; E374-D376 PolarHBondContact O-N 2.62Å; E374-Q377 HydrophobicContact CB-CB 4.39Å; E374-Q377 PolarHBondContact O-N 2.68Å; E374-Q377 PolarHBondContact OE2-NE2 3.42Å; E374-Q377 PolarHBondContact OE2-OE1 2.97Å; E374-A378 WeakPolarHBondContact O-CB 3.3Å; E374-A378 PolarHBondContact O-N 3.2Å
375H92Very high92.1Very high58 Ų5834.2 Ų34.227%0.26920%0.202SC..Hα-helixtrans-54.6-43.2-172.2-59.3-56000114.1G373 Q377 A378 I379 E402G373-H375 VanDerWaalsContact C-N 3.29Å; G373-H375 PolarHBondContact O-CD2 3Å; G373-H375 PolarHBondContact O-N 2.96Å; H375-Q377 PolarHBondContact O-N 3.44Å; H375-A378 PolarHBondContact O-N 3.2Å; H375-I379 WeakPolarHBondContact O-CB 3.35Å; H375-I379 WeakPolarHBondContact O-CD1 3.32Å; H375-I379 WeakPolarHBondContact O-CG1 3.26Å; H375-I379 PolarHBondContact O-N 3.47Å; H375-E402 IonicContact CE1-OE2 2.94Å; H375-E402 IonicContact CG-OE2 2.83Å; H375-E402 IonicContact ND1-OE2 3.56Å; H375-E402 PolarHBondContact ND1-OE2 3.33Å
376D95.2Very high91.9Very high137 Ų13735 Ų3573%0.73321%0.21SC*.Hα-helixtrans-64.4-40.9-177.7-69.2-23.3000112.3E374 A380E374-D376 PolarHBondContact O-N 2.62Å; D376-A380 PolarHBondContact O-N 3.04Å
377Q94.7Very high91.6Very high93 Ų9340.3 Ų40.344%0.43524%0.235SC..Hα-helixtrans-72.9-38178.4-61.3-172.645.600111.1F369 E374 H375 A380 S381F369-Q377 HydrophobicContact CB-CB 4.41Å; F369-Q377 HydrophobicContact CD1-CB 3.87Å; F369-Q377 HydrophobicContact CD2-CB 3.88Å; F369-Q377 HydrophobicContact CE1-CB 4.02Å; F369-Q377 HydrophobicContact CE2-CB 3.97Å; F369-Q377 HydrophobicContact CG-CB 3.83Å; F369-Q377 HydrophobicContact CZ-CB 4.09Å; E374-Q377 HydrophobicContact CB-CB 4.39Å; E374-Q377 PolarHBondContact O-N 2.68Å; E374-Q377 PolarHBondContact OE2-NE2 3.42Å; E374-Q377 PolarHBondContact OE2-OE1 2.97Å; H375-Q377 PolarHBondContact O-N 3.44Å; Q377-A380 PolarHBondContact O-N 2.85Å; Q377-S381 PolarHBondContact O-N 3.46Å; Q377-S381 PolarHBondContact O-OG 2.92Å
378A93.6Very high91.3Very high0 Ų040.6 Ų40.60%024%0.237CC..Hα-helixtrans-59.5-49.6172.800000110.9F369 A370 E374 H375 A380 S381 Y382 E402F369-A378 HydrophobicContact CB-CB 3.76Å; A370-A378 HydrophobicContact CB-CB 4.23Å; E374-A378 WeakPolarHBondContact O-CB 3.3Å; E374-A378 PolarHBondContact O-N 3.2Å; H375-A378 PolarHBondContact O-N 3.2Å; A378-A380 VanDerWaalsContact C-N 3.33Å; A378-A380 PolarHBondContact O-N 3.33Å; A378-S381 PolarHBondContact O-N 3.41Å; A378-S381 VanDerWaalsContact O-N 3.14Å; A378-S381 PolarHBondContact O-OG 2.6Å; A378-Y382 HydrophobicContact CB-CD2 4.46Å; A378-Y382 HydrophobicContact CB-CE2 4.03Å; A378-Y382 WeakPolarHBondContact O-CD2 3.33Å; A378-Y382 PolarHBondContact O-N 3.04Å; A378-E402 HydrophobicContact CB-CG 4.15Å; A378-E402 WeakPolarHBondContact CB-OE1 3.04Å
379I94.8Very high90.7Very high14 Ų1440.8 Ų40.87%0.07224%0.238CC..Hα-helixtrans-57.6-44.5176.4-67.9165000111.2H375 S381 Y382 C383 E402 Y403H375-I379 WeakPolarHBondContact O-CB 3.35Å; H375-I379 WeakPolarHBondContact O-CD1 3.32Å; H375-I379 WeakPolarHBondContact O-CG1 3.26Å; H375-I379 PolarHBondContact O-N 3.47Å; I379-S381 VanDerWaalsContact C-N 3.32Å; I379-S381 PolarHBondContact O-N 3.23Å; I379-Y382 PolarHBondContact O-N 2.82Å; I379-C383 WeakPolarHBondContact O-CB 3.41Å; I379-C383 PolarHBondContact O-N 3.28Å; I379-C383 PolarHBondContact O-SG 2.9Å; I379-E402 HydrophobicContact CD1-CB 3.93Å; I379-E402 HydrophobicContact CG1-CB 3.46Å; I379-E402 VanDerWaalsContact CG1-CB 3.46Å; I379-E402 HydrophobicContact CG1-CG 3.94Å; I379-Y403 HydrophobicContact CD1-CD1 4.18Å; I379-Y403 HydrophobicContact CD1-CE1 3.88Å; I379-Y403 HydrophobicContact CD1-CE2 4.47Å; I379-Y403 HydrophobicContact CG2-CE2 4.45Å
380A96.1Very high89.7Confident57 Ų5746 Ų4647%0.47126%0.258SS..Hα-helixtrans-59-44.117800000111.9D376 Q377 A378 C383 T384D376-A380 PolarHBondContact O-N 3.04Å; Q377-A380 PolarHBondContact O-N 2.85Å; A378-A380 VanDerWaalsContact C-N 3.33Å; A378-A380 PolarHBondContact O-N 3.33Å; A380-C383 WeakPolarHBondContact O-CB 3.28Å; A380-C383 PolarHBondContact O-N 2.63Å; A380-T384 PolarHBondContact O-N 3.12Å
381S94.5Very high88.8Confident4 Ų446.9 Ų46.93%0.02827%0.267CS..Hα-helixtrans-70.9-34.7178.3690000114G366 Q377 A378 I379 C383 T384 A385G366-S381 WeakPolarHBondContact CA-OG 3.39Å; G366-S381 PolarHBondContact N-OG 2.99Å; Q377-S381 PolarHBondContact O-N 3.46Å; Q377-S381 PolarHBondContact O-OG 2.92Å; A378-S381 PolarHBondContact O-N 3.41Å; A378-S381 VanDerWaalsContact O-N 3.14Å; A378-S381 PolarHBondContact O-OG 2.6Å; I379-S381 VanDerWaalsContact C-N 3.32Å; I379-S381 PolarHBondContact O-N 3.23Å; S381-C383 VanDerWaalsContact C-N 3.33Å; S381-T384 PolarHBondContact O-N 2.81Å; S381-T384 PolarHBondContact O-OG1 3.15Å; S381-A385 WeakPolarHBondContact O-CB 3.4Å; S381-A385 PolarHBondContact O-N 3.15Å
382Y94.6Very high88.6Confident0 Ų045 Ų450%025%0.252CS..Hα-helixtrans-71.2-31.7172.5-63.5-50.5000111.9L363 G366 H367 A378 I379 A385 A386 Y398 E402L363-Y382 HydrophobicContact CD2-CD1 4.06Å; L363-Y382 HydrophobicContact CD2-CE1 4.41Å; G366-Y382 VanDerWaalsContact C-CZ 3.42Å; G366-Y382 PolarHBondContact O-OH 3.26Å; H367-Y382 WeakPolarHBondContact CA-OH 3.44Å; H367-Y382 AromaticContact CD2-CZ 4Å; H367-Y382 PolarHBondContact CD2-OH 3.29Å; H367-Y382 PolarHBondContact N-OH 3.17Å; H367-Y382 VanDerWaalsContact N-OH 3.13Å; A378-Y382 HydrophobicContact CB-CD2 4.46Å; A378-Y382 HydrophobicContact CB-CE2 4.03Å; A378-Y382 WeakPolarHBondContact O-CD2 3.33Å; A378-Y382 PolarHBondContact O-N 3.04Å; I379-Y382 PolarHBondContact O-N 2.82Å; Y382-A385 CarbonylContact O-C 3.6Å; Y382-A385 WeakPolarHBondContact O-CB 3.44Å; Y382-A385 PolarHBondContact O-N 3.21Å; Y382-A386 WeakPolarHBondContact O-CB 3.31Å; Y382-A386 PolarHBondContact O-N 2.83Å; Y382-Y398 HydrophobicContact CD1-CG 4.47Å; Y382-Y398 HydrophobicContact CE1-CD2 4.21Å; Y382-Y398 HydrophobicContact CE1-CG 4Å; Y382-E402 HydrophobicContact CD2-CG 3.95Å; Y382-E402 HydrophobicContact CE2-CG 3.68Å; Y382-E402 WeakPolarHBondContact CE2-OE1 3.43Å
383C94.1Very high88.5Confident47 Ų4742.8 Ų42.832%0.31824%0.239SC..Hα-helixtrans-64.8-42.8173-71.90000111.3I379 A380 S381 A385 A386 Q387I379-C383 WeakPolarHBondContact O-CB 3.41Å; I379-C383 PolarHBondContact O-N 3.28Å; I379-C383 PolarHBondContact O-SG 2.9Å; A380-C383 WeakPolarHBondContact O-CB 3.28Å; A380-C383 PolarHBondContact O-N 2.63Å; S381-C383 VanDerWaalsContact C-N 3.33Å; C383-A385 VanDerWaalsContact C-N 3.34Å; C383-A386 PolarHBondContact O-N 3.37Å; C383-Q387 WeakPolarHBondContact O-CG 3.36Å; C383-Q387 PolarHBondContact O-N 2.86Å
384T92.2Very high88.6Confident37 Ų3741.4 Ų41.423%0.22722%0.222CC..Hα-helixtrans-66-38.7173.258.80000111.2W362 A380 S381 A386 Q387 V388W362-T384 VanDerWaalsContact CD2-OG1 3.27Å; A380-T384 PolarHBondContact O-N 3.12Å; S381-T384 PolarHBondContact O-N 2.81Å; S381-T384 PolarHBondContact O-OG1 3.15Å; T384-A386 PolarHBondContact O-N 3.08Å; T384-Q387 WeakPolarHBondContact O-CB 3.22Å; T384-Q387 PolarHBondContact O-N 3.09Å; T384-V388 WeakPolarHBondContact O-CG2 3.38Å; T384-V388 PolarHBondContact O-N 3.19Å; T384-V388 VanDerWaalsContact O-N 3.08Å
385A90.8Very high88.4Confident0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-59.7-44.4172.600000112.1W362 L363 S381 Y382 C383 Q387 V388 I389 P395W362-A385 HydrophobicContact CB-CB 3.68Å; L363-A385 HydrophobicContact CD2-CB 3.85Å; L363-A385 HydrophobicContact CG-CB 3.96Å; S381-A385 WeakPolarHBondContact O-CB 3.4Å; S381-A385 PolarHBondContact O-N 3.15Å; Y382-A385 CarbonylContact O-C 3.6Å; Y382-A385 WeakPolarHBondContact O-CB 3.44Å; Y382-A385 PolarHBondContact O-N 3.21Å; C383-A385 VanDerWaalsContact C-N 3.34Å; A385-Q387 VanDerWaalsContact C-N 3.3Å; A385-Q387 PolarHBondContact O-N 3.2Å; A385-V388 PolarHBondContact O-N 3.23Å; A385-I389 WeakPolarHBondContact O-CB 3.2Å; A385-I389 WeakPolarHBondContact O-CG1 3.31Å; A385-I389 PolarHBondContact O-N 2.91Å; A385-P395 HydrophobicContact CB-CB 4.1Å; A385-P395 HydrophobicContact CB-CG 4.36Å
386A89.2Confident88.4Confident24 Ų2436.1 Ų36.120%0.19820%0.198CC..Hα-helixtrans-64.5-34177.400000112.3Y382 C383 T384 V388 I389 P395 I396 I399Y382-A386 WeakPolarHBondContact O-CB 3.31Å; Y382-A386 PolarHBondContact O-N 2.83Å; C383-A386 PolarHBondContact O-N 3.37Å; T384-A386 PolarHBondContact O-N 3.08Å; A386-V388 VanDerWaalsContact C-N 3.35Å; A386-I389 CarbonylContact O-C 3.57Å; A386-P395 HydrophobicContact CB-CB 3.91Å; A386-I396 HydrophobicContact CB-CG1 4.39Å; A386-I399 HydrophobicContact CB-CD1 4.4Å
387Q86.3Confident88.3Confident112 Ų11229.7 Ų29.752%0.52316%0.164SC..Hα-helixtrans-68.4-34.9174.6-71.8172.210.300112.4R172 C383 T384 A385R172-Q387 PolarHBondContact NH1-O 3.35Å; C383-Q387 WeakPolarHBondContact O-CG 3.36Å; C383-Q387 PolarHBondContact O-N 2.86Å; T384-Q387 WeakPolarHBondContact O-CB 3.22Å; T384-Q387 PolarHBondContact O-N 3.09Å; A385-Q387 VanDerWaalsContact C-N 3.3Å; A385-Q387 PolarHBondContact O-N 3.2Å
388V82.8Confident88.1Confident19 Ų1926.1 Ų26.112%0.11515%0.146CC..Hα-helixtrans-80.6-43.1178.8175.60000111.1R357 T384 A385 A386R357-V388 WeakPolarHBondContact O-CG1 3.5Å; T384-V388 WeakPolarHBondContact O-CG2 3.38Å; T384-V388 PolarHBondContact O-N 3.19Å; T384-V388 VanDerWaalsContact O-N 3.08Å; A385-V388 PolarHBondContact O-N 3.23Å; A386-V388 VanDerWaalsContact C-N 3.35Å
389I78.9Confident88.2Confident5 Ų526.3 Ų26.33%0.02615%0.147CC..  trans-108.376.8-174.8-50176.3000109.1L363 A385 A386 P395 K599L363-I389 HydrophobicContact CD1-CD1 3.63Å; L363-I389 HydrophobicContact CG-CD1 4.09Å; A385-I389 WeakPolarHBondContact O-CB 3.2Å; A385-I389 WeakPolarHBondContact O-CG1 3.31Å; A385-I389 PolarHBondContact O-N 2.91Å; A386-I389 CarbonylContact O-C 3.57Å; I389-P395 HydrophobicContact CB-CG 4.19Å; I389-P395 HydrophobicContact CD1-CG 4.43Å; I389-P395 HydrophobicContact CG2-CG 4.46Å; I389-K599 HydrophobicContact CG2-CD 4.44Å
390R73.6Confident88Confident132 Ų13225.7 Ų25.750%0.49814%0.144SC..THydrogen-bonded Turntrans-73.4-32.5-171.6-69.1-174.7178.1-174.4-3114.4Q200 S392Q200-R390 CarbonylContact O-C 3.59Å; R390-S392 VanDerWaalsContact C-N 3.3Å; R390-S392 PolarHBondContact O-N 2.85Å
391G71.2Confident87.8Confident25 Ų2523 Ų2326%0.25812%0.122SC..THydrogen-bonded Turntrans-93.513.6-174.100000113Q200 K599Q200-G391 WeakPolarHBondContact O-CA 3.36Å; Q200-G391 PolarHBondContact O-N 2.99Å; G391-K599 PolarHBondContact O-NZ 3.33Å; G391-K599 VanDerWaalsContact O-NZ 3.1Å
392S80.3Confident87.6Confident1 Ų122.8 Ų22.81%0.00712%0.121CC..  trans-111.3131.7171.9-161.20000109.5R390 I394 P395 K599R390-S392 VanDerWaalsContact C-N 3.3Å; R390-S392 PolarHBondContact O-N 2.85Å; S392-I394 PolarHBondContact O-N 3.35Å; S392-I394 WeakPolarHBondContact OG-CB 3.45Å; S392-I394 WeakPolarHBondContact OG-CG1 3.05Å; S392-I394 PolarHBondContact OG-N 3.17Å; S392-P395 WeakPolarHBondContact O-CD 3.32Å; S392-K599 VanDerWaalsContact CB-NZ 3.32Å
393H85.9Confident87.5Confident25 Ų2525.1 Ų25.112%0.11613%0.129CC..SBendtrans-73.3-17168.262.5-80.3000112.2I396 M397 A419 I422 S423 D426 V429H393-I396 PolarHBondContact O-N 2.84Å; H393-M397 WeakPolarHBondContact O-CB 3.18Å; H393-M397 PolarHBondContact O-N 3.42Å; H393-A419 HydrophobicContact CB-CB 4.12Å; H393-I422 HydrophobicContact CB-CB 4.06Å; H393-I422 HydrophobicContact CB-CD1 4.5Å; H393-I422 HydrophobicContact CB-CG2 4.01Å; H393-S423 WeakPolarHBondContact CB-OG 3.25Å; H393-S423 PolarHBondContact CD2-OG 3.06Å; H393-S423 PolarHBondContact CE1-OG 3.29Å; H393-S423 PolarHBondContact ND1-OG 3.29Å; H393-S423 PolarHBondContact NE2-OG 3.36Å; H393-D426 IonicContact CD2-OD2 3.5Å; H393-D426 IonicContact CE1-OD2 3.56Å; H393-D426 VanDerWaalsContact NE2-CG 3.32Å; H393-D426 IonicContact NE2-OD2 2.72Å; H393-D426 PolarHBondContact NE2-OD2 2.86Å; H393-V429 WeakPolarHBondContact CD2-CG2 3.38Å
394I86.8Confident87.3Confident10 Ų1023 Ų235%0.05112%0.115CC..Hα-helixtrans-57.3-51.9-172.9-60.7170.5000112.8S392 I396 M397 Y398 R597S392-I394 PolarHBondContact O-N 3.35Å; S392-I394 WeakPolarHBondContact OG-CB 3.45Å; S392-I394 WeakPolarHBondContact OG-CG1 3.05Å; S392-I394 PolarHBondContact OG-N 3.17Å; I394-I396 VanDerWaalsContact C-N 3.32Å; I394-I396 PolarHBondContact O-N 3.21Å; I394-M397 WeakPolarHBondContact O-CB 3.35Å; I394-M397 PolarHBondContact O-N 2.95Å; I394-Y398 HydrophobicContact CG2-CD2 3.76Å; I394-Y398 HydrophobicContact CG2-CE2 3.36Å; I394-Y398 WeakPolarHBondContact O-CD2 2.98Å; I394-Y398 PolarHBondContact O-N 3.47Å; I394-Y398 VanDerWaalsContact O-N 3.08Å; I394-R597 HydrophobicContact CD1-CB 4.28Å
395P89.5Confident87Confident0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-61.6-39.6177.6-17.528.4000112.8L363 A385 A386 I389 S392 M397 Y398 I399L363-P395 HydrophobicContact CD2-CB 3.98Å; L363-P395 HydrophobicContact CD2-CG 3.93Å; A385-P395 HydrophobicContact CB-CB 4.1Å; A385-P395 HydrophobicContact CB-CG 4.36Å; A386-P395 HydrophobicContact CB-CB 3.91Å; I389-P395 HydrophobicContact CB-CG 4.19Å; I389-P395 HydrophobicContact CD1-CG 4.43Å; I389-P395 HydrophobicContact CG2-CG 4.46Å; S392-P395 WeakPolarHBondContact O-CD 3.32Å; P395-M397 VanDerWaalsContact C-N 3.34Å; P395-Y398 PolarHBondContact O-N 3.24Å; P395-I399 WeakPolarHBondContact O-CG1 3.45Å; P395-I399 PolarHBondContact O-N 2.76Å
396I91.9Very high86.9Confident16 Ų1624.6 Ų24.68%0.08213%0.13CC..Hα-helixtrans-66.7-40.3-179.3-62.6168.2000110.5A386 H393 I394 I399 G400 F415 Q418 A419 I422A386-I396 HydrophobicContact CB-CG1 4.39Å; H393-I396 PolarHBondContact O-N 2.84Å; I394-I396 VanDerWaalsContact C-N 3.32Å; I394-I396 PolarHBondContact O-N 3.21Å; I396-I399 WeakPolarHBondContact O-CB 3.34Å; I396-I399 PolarHBondContact O-N 3.29Å; I396-G400 PolarHBondContact O-N 2.84Å; I396-G400 VanDerWaalsContact O-N 3.12Å; I396-F415 HydrophobicContact CG2-CB 4.43Å; I396-F415 HydrophobicContact CG2-CD1 4.27Å; I396-F415 WeakPolarHBondContact CG2-O 3.31Å; I396-Q418 HydrophobicContact CG2-CB 4.21Å; I396-Q418 HydrophobicContact CG2-CG 4.24Å; I396-A419 HydrophobicContact CG2-CB 4.22Å; I396-I422 HydrophobicContact CD1-CD1 3.55Å
397M91.9Very high86.7Confident3 Ų329 Ų292%0.01515%0.15CC..Hα-helixtrans-56.5-54.6172.6-175.5-173.974.200109.4H393 I394 P395 I399 G400 I401 L416 A419 F428 V429 E432H393-M397 WeakPolarHBondContact O-CB 3.18Å; H393-M397 PolarHBondContact O-N 3.42Å; I394-M397 WeakPolarHBondContact O-CB 3.35Å; I394-M397 PolarHBondContact O-N 2.95Å; P395-M397 VanDerWaalsContact C-N 3.34Å; M397-I399 VanDerWaalsContact C-N 3.26Å; M397-I399 PolarHBondContact O-N 3.48Å; M397-G400 WeakPolarHBondContact O-CA 3.11Å; M397-G400 PolarHBondContact O-N 2.99Å; M397-I401 HydrophobicContact CE-CD1 4.23Å; M397-I401 HydrophobicContact CG-CD1 4.01Å; M397-I401 HydrophobicContact CG-CG1 4.38Å; M397-I401 VanDerWaalsContact O-CG1 3.25Å; M397-I401 WeakPolarHBondContact O-CG1 3.49Å; M397-I401 PolarHBondContact O-N 3.32Å; M397-L416 HydrophobicContact CG-CD2 4.01Å; M397-A419 HydrophobicContact CB-CB 4.26Å; M397-F428 HydrophobicContact CE-CB 4.26Å; M397-F428 HydrophobicContact SD-CB 3.78Å; M397-V429 HydrophobicContact CG-CG2 4.42Å; M397-V429 HydrophobicContact SD-CG2 3.92Å; M397-E432 HydrophobicContact CG-CG 4.25Å; M397-E432 HydrophobicContact SD-CG 4.32Å
398Y91.5Very high87Confident17 Ų1727.4 Ų27.47%0.06715%0.145CC..Hα-helixtrans-58.5-32.5178.9-73.1-60.8000114.3L363 H367 Y382 I394 P395 I401 E402L363-Y398 HydrophobicContact CD2-CD2 4.33Å; H367-Y398 AromaticContact CE1-CE2 3.91Å; H367-Y398 AromaticContact CE1-CZ 3.91Å; H367-Y398 AromaticContact NE2-CD1 3.96Å; H367-Y398 AromaticContact NE2-CD2 3.77Å; H367-Y398 AromaticContact NE2-CE1 3.47Å; H367-Y398 WeakPolarHBondContact NE2-CE1 3.45Å; H367-Y398 AromaticContact NE2-CE2 3.22Å; H367-Y398 WeakPolarHBondContact NE2-CE2 3.39Å; H367-Y398 AromaticContact NE2-CZ 3.06Å; H367-Y398 PolarHBondContact NE2-OH 3.08Å; Y382-Y398 HydrophobicContact CD1-CG 4.47Å; Y382-Y398 HydrophobicContact CE1-CD2 4.21Å; Y382-Y398 HydrophobicContact CE1-CG 4Å; I394-Y398 HydrophobicContact CG2-CD2 3.76Å; I394-Y398 HydrophobicContact CG2-CE2 3.36Å; I394-Y398 WeakPolarHBondContact O-CD2 2.98Å; I394-Y398 PolarHBondContact O-N 3.47Å; I394-Y398 VanDerWaalsContact O-N 3.08Å; P395-Y398 PolarHBondContact O-N 3.24Å; Y398-I401 HydrophobicContact CD1-CD1 3.79Å; Y398-I401 HydrophobicContact CE1-CD1 4.18Å; Y398-I401 WeakPolarHBondContact O-CB 3.48Å; Y398-I401 PolarHBondContact O-N 3.35Å; Y398-E402 WeakPolarHBondContact O-CG 3.48Å; Y398-E402 PolarHBondContact O-N 2.88Å
399I94.5Very high87.3Confident5 Ų531 Ų313%0.02616%0.157CC..Hα-helixtrans-62-47170.8-65.9166.4000110.8A386 P395 I396 M397 I401 E402 Y403 F415A386-I399 HydrophobicContact CB-CD1 4.4Å; P395-I399 WeakPolarHBondContact O-CG1 3.45Å; P395-I399 PolarHBondContact O-N 2.76Å; I396-I399 WeakPolarHBondContact O-CB 3.34Å; I396-I399 PolarHBondContact O-N 3.29Å; M397-I399 VanDerWaalsContact C-N 3.26Å; M397-I399 PolarHBondContact O-N 3.48Å; I399-I401 VanDerWaalsContact C-N 3.27Å; I399-I401 PolarHBondContact O-N 3.38Å; I399-E402 PolarHBondContact O-N 3.49Å; I399-Y403 HydrophobicContact CG2-CD2 3.69Å; I399-Y403 HydrophobicContact CG2-CE2 3.45Å; I399-Y403 VanDerWaalsContact CG2-CE2 3.45Å; I399-Y403 WeakPolarHBondContact O-CD2 3.22Å; I399-Y403 PolarHBondContact O-N 3.47Å; I399-F415 HydrophobicContact CG2-CD1 3.99Å; I399-F415 HydrophobicContact CG2-CD2 3.84Å; I399-F415 HydrophobicContact CG2-CE1 4.07Å; I399-F415 HydrophobicContact CG2-CE2 3.95Å; I399-F415 HydrophobicContact CG2-CG 3.87Å; I399-F415 HydrophobicContact CG2-CZ 4.05Å
400G92.3Very high88Confident0 Ų036.9 Ų36.90%019%0.188CC..Hα-helixtrans-61.7-36.8177.200000112.9I396 M397 Y403 S404 A412I396-G400 PolarHBondContact O-N 2.84Å; I396-G400 VanDerWaalsContact O-N 3.12Å; M397-G400 WeakPolarHBondContact O-CA 3.11Å; M397-G400 PolarHBondContact O-N 2.99Å; G400-Y403 PolarHBondContact O-N 3.49Å; G400-S404 PolarHBondContact O-N 3.23Å; G400-A412 VanDerWaalsContact O-CB 3.24Å; G400-A412 WeakPolarHBondContact O-CB 3.41Å
401I90.2Very high88.9Confident1 Ų133.7 Ų33.71%0.00518%0.181CC..Hα-helixtrans-62.3-49.3175.6-67.1-176.3000111.9M397 Y398 I399 Y403 S404 A405 E432 A585 P587M397-I401 HydrophobicContact CE-CD1 4.23Å; M397-I401 HydrophobicContact CG-CD1 4.01Å; M397-I401 HydrophobicContact CG-CG1 4.38Å; M397-I401 VanDerWaalsContact O-CG1 3.25Å; M397-I401 WeakPolarHBondContact O-CG1 3.49Å; M397-I401 PolarHBondContact O-N 3.32Å; Y398-I401 HydrophobicContact CD1-CD1 3.79Å; Y398-I401 HydrophobicContact CE1-CD1 4.18Å; Y398-I401 WeakPolarHBondContact O-CB 3.48Å; Y398-I401 PolarHBondContact O-N 3.35Å; I399-I401 VanDerWaalsContact C-N 3.27Å; I399-I401 PolarHBondContact O-N 3.38Å; I401-Y403 VanDerWaalsContact C-N 3.28Å; I401-Y403 PolarHBondContact O-N 3.22Å; I401-S404 WeakPolarHBondContact O-CA 3.49Å; I401-S404 VanDerWaalsContact O-CB 3.28Å; I401-S404 WeakPolarHBondContact O-CB 3.4Å; I401-S404 PolarHBondContact O-N 3.43Å; I401-A405 PolarHBondContact O-N 2.89Å; I401-E432 HydrophobicContact CD1-CG 3.86Å; I401-E432 HydrophobicContact CG1-CG 4.03Å; I401-A585 HydrophobicContact CB-CB 3.96Å; I401-A585 HydrophobicContact CD1-CB 3.67Å; I401-A585 HydrophobicContact CG1-CB 3.37Å; I401-A585 HydrophobicContact CG2-CB 3.75Å; I401-A585 WeakPolarHBondContact CG2-O 3.45Å; I401-P587 HydrophobicContact CG2-CB 3.67Å; I401-P587 HydrophobicContact CG2-CG 3.67Å; I401-P587 VanDerWaalsContact CG2-N 3.31Å
402E91.4Very high89.9Confident0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-61.3-38175.6-69.5-68.7170.200111.7A370 H375 A378 I379 Y382 Y398 I399 S404 A405 S406 P587A370-E402 WeakPolarHBondContact CB-OE1 3.34Å; H375-E402 IonicContact CE1-OE2 2.94Å; H375-E402 IonicContact CG-OE2 2.83Å; H375-E402 IonicContact ND1-OE2 3.56Å; H375-E402 PolarHBondContact ND1-OE2 3.33Å; A378-E402 HydrophobicContact CB-CG 4.15Å; A378-E402 WeakPolarHBondContact CB-OE1 3.04Å; I379-E402 HydrophobicContact CD1-CB 3.93Å; I379-E402 HydrophobicContact CG1-CB 3.46Å; I379-E402 VanDerWaalsContact CG1-CB 3.46Å; I379-E402 HydrophobicContact CG1-CG 3.94Å; Y382-E402 HydrophobicContact CD2-CG 3.95Å; Y382-E402 HydrophobicContact CE2-CG 3.68Å; Y382-E402 WeakPolarHBondContact CE2-OE1 3.43Å; Y398-E402 WeakPolarHBondContact O-CG 3.48Å; Y398-E402 PolarHBondContact O-N 2.88Å; I399-E402 PolarHBondContact O-N 3.49Å; E402-S404 VanDerWaalsContact C-N 3.31Å; E402-S404 PolarHBondContact O-N 3.28Å; E402-A405 PolarHBondContact O-N 2.89Å; E402-S406 WeakPolarHBondContact O-CB 3.47Å; E402-S406 PolarHBondContact O-N 3.16Å; E402-S406 PolarHBondContact O-OG 3.42Å; E402-P587 HydrophobicContact CB-CG 4.44Å; E402-P587 HydrophobicContact CG-CB 4.28Å; E402-P587 HydrophobicContact CG-CG 3.72Å; E402-P587 WeakPolarHBondContact OE1-CB 3.47Å; E402-P587 WeakPolarHBondContact OE1-CG 3.29Å; E402-P587 WeakPolarHBondContact OE2-CG 3.25Å
403Y93.3Very high90.6Very high48 Ų4836 Ų3619%0.18819%0.185CC..Hα-helixtrans-65.9-33.8173.3-78-57.8000112.6I379 I399 G400 I401 S406 N407 N408 L411 F415I379-Y403 HydrophobicContact CD1-CD1 4.18Å; I379-Y403 HydrophobicContact CD1-CE1 3.88Å; I379-Y403 HydrophobicContact CD1-CE2 4.47Å; I379-Y403 HydrophobicContact CG2-CE2 4.45Å; I399-Y403 HydrophobicContact CG2-CD2 3.69Å; I399-Y403 HydrophobicContact CG2-CE2 3.45Å; I399-Y403 VanDerWaalsContact CG2-CE2 3.45Å; I399-Y403 WeakPolarHBondContact O-CD2 3.22Å; I399-Y403 PolarHBondContact O-N 3.47Å; G400-Y403 PolarHBondContact O-N 3.49Å; I401-Y403 VanDerWaalsContact C-N 3.28Å; I401-Y403 PolarHBondContact O-N 3.22Å; Y403-S406 WeakPolarHBondContact CA-OG 3.24Å; Y403-S406 PolarHBondContact O-OG 2.97Å; Y403-N407 PolarHBondContact O-N 3.36Å; Y403-N408 HydrophobicContact CD1-CB 3.92Å; Y403-N408 CarbonylContact O-C 3.24Å; Y403-N408 WeakPolarHBondContact O-CA 3.45Å; Y403-N408 WeakPolarHBondContact O-CB 3.49Å; Y403-N408 PolarHBondContact O-N 3.23Å; Y403-L411 HydrophobicContact CD1-CB 4.13Å; Y403-L411 HydrophobicContact CD1-CD1 4.12Å; Y403-L411 HydrophobicContact CD2-CB 4.25Å; Y403-L411 HydrophobicContact CE1-CD1 3.87Å; Y403-L411 HydrophobicContact CG-CB 3.99Å; Y403-F415 AromaticContact CD2-CD2 3.59Å; Y403-F415 HydrophobicContact CD2-CD2 3.59Å; Y403-F415 AromaticContact CD2-CE2 3.72Å; Y403-F415 HydrophobicContact CD2-CE2 3.72Å; Y403-F415 AromaticContact CE2-CD2 3.68Å; Y403-F415 HydrophobicContact CE2-CD2 3.68Å; Y403-F415 AromaticContact CE2-CE2 3.29Å; Y403-F415 HydrophobicContact CE2-CE2 3.29Å; Y403-F415 HydrophobicContact CE2-CZ 4.15Å
404S88.8Confident91.1Very high3 Ų343.5 Ų43.52%0.02121%0.212CC..Hα-helixtrans-65-47.5172.6-144.30000110.6G400 I401 E402 S406 N407 L436 E439G400-S404 PolarHBondContact O-N 3.23Å; I401-S404 WeakPolarHBondContact O-CA 3.49Å; I401-S404 VanDerWaalsContact O-CB 3.28Å; I401-S404 WeakPolarHBondContact O-CB 3.4Å; I401-S404 PolarHBondContact O-N 3.43Å; E402-S404 VanDerWaalsContact C-N 3.31Å; E402-S404 PolarHBondContact O-N 3.28Å; S404-S406 VanDerWaalsContact C-N 3.32Å; S404-S406 PolarHBondContact O-N 3.37Å; S404-N407 PolarHBondContact O-N 2.92Å; S404-L436 WeakPolarHBondContact OG-CD1 3.29Å; S404-E439 PolarHBondContact OG-OE2 3.46Å
405A86Confident91.4Very high33 Ų3345.7 Ų45.727%0.27322%0.221SC..Hα-helixtrans-62.5-36.6178.800000112.7I401 E402 N407I401-A405 PolarHBondContact O-N 2.89Å; E402-A405 PolarHBondContact O-N 2.89Å; A405-N407 PolarHBondContact O-N 3.09Å
406S88.9Confident91.6Very high38 Ų3845.7 Ų45.727%0.26622%0.221SC..THydrogen-bonded Turntrans-79.212173.860.80000114.5E402 Y403 S404 N408E402-S406 WeakPolarHBondContact O-CB 3.47Å; E402-S406 PolarHBondContact O-N 3.16Å; E402-S406 PolarHBondContact O-OG 3.42Å; Y403-S406 WeakPolarHBondContact CA-OG 3.24Å; Y403-S406 PolarHBondContact O-OG 2.97Å; S404-S406 VanDerWaalsContact C-N 3.32Å; S404-S406 PolarHBondContact O-N 3.37Å; S406-N408 PolarHBondContact O-N 2.83Å; S406-N408 PolarHBondContact OG-ND2 3.04Å
407N85.8Confident91.7Very high116 Ų11648 Ų4862%0.6223%0.234SC*.THydrogen-bonded Turntrans61.115.4-178-75.4-49.4000115.6Y403 S404 A405 R409Y403-N407 PolarHBondContact O-N 3.36Å; S404-N407 PolarHBondContact O-N 2.92Å; A405-N407 PolarHBondContact O-N 3.09Å; N407-R409 VanDerWaalsContact C-N 3.31Å; N407-R409 PolarHBondContact O-N 3.15Å; N407-R409 VanDerWaalsContact O-N 3.11Å
408N91.4Very high91.8Very high79 Ų7952.1 Ų52.142%0.42225%0.253SS..  trans-8863.4176.9-71.3-49.5000111.7Y403 S406 N410 L411 A412Y403-N408 HydrophobicContact CD1-CB 3.92Å; Y403-N408 CarbonylContact O-C 3.24Å; Y403-N408 WeakPolarHBondContact O-CA 3.45Å; Y403-N408 WeakPolarHBondContact O-CB 3.49Å; Y403-N408 PolarHBondContact O-N 3.23Å; S406-N408 PolarHBondContact O-N 2.83Å; S406-N408 PolarHBondContact OG-ND2 3.04Å; N408-N410 VanDerWaalsContact C-N 3.32Å; N408-N410 PolarHBondContact O-N 3.29Å; N408-L411 PolarHBondContact O-N 3.38Å; N408-L411 VanDerWaalsContact O-N 3.12Å; N408-A412 PolarHBondContact O-N 3.47Å
409R89.3Confident91.8Very high94 Ų9451.3 Ų51.336%0.35525%0.25SS..Hα-helixtrans-54.7-40.1-171.8-60.8-179.8-172.3142.52.5114.4N407 L411 A412 E413 L436N407-R409 VanDerWaalsContact C-N 3.31Å; N407-R409 PolarHBondContact O-N 3.15Å; N407-R409 VanDerWaalsContact O-N 3.11Å; R409-L411 PolarHBondContact O-N 3.46Å; R409-A412 WeakPolarHBondContact O-CB 3.24Å; R409-A412 PolarHBondContact O-N 2.61Å; R409-E413 PolarHBondContact O-N 3.43Å; R409-L436 HydrophobicContact CB-CD1 4.14Å; R409-L436 HydrophobicContact CG-CD1 4.27Å
410N93Very high91.6Very high128 Ų12854.2 Ų54.268%0.68426%0.261SS*.Hα-helixtrans-65.8-37.1-178.9-67-27.4000112.9N408 R414N408-N410 VanDerWaalsContact C-N 3.32Å; N408-N410 PolarHBondContact O-N 3.29Å; N410-R414 WeakPolarHBondContact O-CG 3.25Å; N410-R414 PolarHBondContact O-N 3.41Å
411L93.9Very high91.6Very high65 Ų6561.2 Ų61.234%0.3430%0.298SS..Hα-helixtrans-76.3-40.9177.1-70.4177.4000110.3Y403 N408 R409 E413 R414 F415Y403-L411 HydrophobicContact CD1-CB 4.13Å; Y403-L411 HydrophobicContact CD1-CD1 4.12Å; Y403-L411 HydrophobicContact CD2-CB 4.25Å; Y403-L411 HydrophobicContact CE1-CD1 3.87Å; Y403-L411 HydrophobicContact CG-CB 3.99Å; N408-L411 PolarHBondContact O-N 3.38Å; N408-L411 VanDerWaalsContact O-N 3.12Å; R409-L411 PolarHBondContact O-N 3.46Å; L411-E413 VanDerWaalsContact C-N 3.29Å; L411-E413 PolarHBondContact O-N 2.9Å; L411-R414 PolarHBondContact O-N 3.48Å; L411-R414 VanDerWaalsContact O-N 3.13Å; L411-F415 VanDerWaalsContact O-CD2 3.27Å; L411-F415 WeakPolarHBondContact O-CD2 3.23Å; L411-F415 PolarHBondContact O-N 2.83Å; L411-F415 VanDerWaalsContact O-N 3.1Å
412A92.5Very high91.4Very high0 Ų064.7 Ų64.70%032%0.316CS..Hα-helixtrans-53.1-47.5173.500000111.4G400 N408 R409 R414 F415 L416 L436G400-A412 VanDerWaalsContact O-CB 3.24Å; G400-A412 WeakPolarHBondContact O-CB 3.41Å; N408-A412 PolarHBondContact O-N 3.47Å; R409-A412 WeakPolarHBondContact O-CB 3.24Å; R409-A412 PolarHBondContact O-N 2.61Å; A412-R414 VanDerWaalsContact C-N 3.32Å; A412-R414 PolarHBondContact O-N 3.18Å; A412-F415 PolarHBondContact O-N 2.94Å; A412-L416 WeakPolarHBondContact O-CB 3.22Å; A412-L416 WeakPolarHBondContact O-CG 3.21Å; A412-L416 PolarHBondContact O-N 3.42Å; A412-L436 HydrophobicContact CB-CD1 3.89Å; A412-L436 HydrophobicContact CB-CD2 3.92Å
413E93.7Very high90.9Very high74 Ų7465.2 Ų65.235%0.34632%0.319SS..Hα-helixtrans-60.8-40179.2-171171-171.300112R409 L411 N417 L436R409-E413 PolarHBondContact O-N 3.43Å; L411-E413 VanDerWaalsContact C-N 3.29Å; L411-E413 PolarHBondContact O-N 2.9Å; E413-N417 WeakPolarHBondContact CG-ND2 3.46Å; E413-N417 WeakPolarHBondContact O-CB 3.41Å; E413-N417 PolarHBondContact O-N 2.72Å; E413-N417 PolarHBondContact O-ND2 3.15Å; E413-L436 VanDerWaalsContact CA-CD2 3.42Å; E413-L436 HydrophobicContact CB-CD2 3.72Å; E413-L436 HydrophobicContact CG-CD2 4.4Å; E413-L436 VanDerWaalsContact N-CD2 3.33Å
414R96.1Very high90.5Very high184 Ų18466.5 Ų66.569%0.69433%0.333SS*.Hα-helixtrans-65.2-47.3178.4-71.7177.8178.6-168.8-0.4112.2N410 L411 A412 Q418N410-R414 WeakPolarHBondContact O-CG 3.25Å; N410-R414 PolarHBondContact O-N 3.41Å; L411-R414 PolarHBondContact O-N 3.48Å; L411-R414 VanDerWaalsContact O-N 3.13Å; A412-R414 VanDerWaalsContact C-N 3.32Å; A412-R414 PolarHBondContact O-N 3.18Å; R414-Q418 PolarHBondContact O-N 2.88Å
415F94.5Very high90.2Very high55 Ų5569.4 Ų69.424%0.24135%0.354CS..Hα-helixtrans-69.8-40.3-179.5-75.5-70.1000112.2I396 I399 Y403 L411 A412 Q418 A419I396-F415 HydrophobicContact CG2-CB 4.43Å; I396-F415 HydrophobicContact CG2-CD1 4.27Å; I396-F415 WeakPolarHBondContact CG2-O 3.31Å; I399-F415 HydrophobicContact CG2-CD1 3.99Å; I399-F415 HydrophobicContact CG2-CD2 3.84Å; I399-F415 HydrophobicContact CG2-CE1 4.07Å; I399-F415 HydrophobicContact CG2-CE2 3.95Å; I399-F415 HydrophobicContact CG2-CG 3.87Å; I399-F415 HydrophobicContact CG2-CZ 4.05Å; Y403-F415 AromaticContact CD2-CD2 3.59Å; Y403-F415 HydrophobicContact CD2-CD2 3.59Å; Y403-F415 AromaticContact CD2-CE2 3.72Å; Y403-F415 HydrophobicContact CD2-CE2 3.72Å; Y403-F415 AromaticContact CE2-CD2 3.68Å; Y403-F415 HydrophobicContact CE2-CD2 3.68Å; Y403-F415 AromaticContact CE2-CE2 3.29Å; Y403-F415 HydrophobicContact CE2-CE2 3.29Å; Y403-F415 HydrophobicContact CE2-CZ 4.15Å; L411-F415 VanDerWaalsContact O-CD2 3.27Å; L411-F415 WeakPolarHBondContact O-CD2 3.23Å; L411-F415 PolarHBondContact O-N 2.83Å; L411-F415 VanDerWaalsContact O-N 3.1Å; A412-F415 PolarHBondContact O-N 2.94Å; F415-Q418 WeakPolarHBondContact O-CB 3.36Å; F415-Q418 PolarHBondContact O-N 2.8Å; F415-A419 PolarHBondContact O-N 3.2Å
416L93.4Very high90Very high1 Ų169 Ų691%0.00535%0.347CS..Hα-helixtrans-67.1-37.8175.5-68.8178.6000112.1M397 A412 Q418 A419 Y420 E432 L433 L436M397-L416 HydrophobicContact CG-CD2 4.01Å; A412-L416 WeakPolarHBondContact O-CB 3.22Å; A412-L416 WeakPolarHBondContact O-CG 3.21Å; A412-L416 PolarHBondContact O-N 3.42Å; L416-Q418 VanDerWaalsContact C-N 3.32Å; L416-Q418 PolarHBondContact O-N 3.32Å; L416-A419 WeakPolarHBondContact O-CB 3.44Å; L416-A419 PolarHBondContact O-N 3.45Å; L416-Y420 WeakPolarHBondContact O-CB 3.22Å; L416-Y420 PolarHBondContact O-N 3.19Å; L416-E432 HydrophobicContact CD1-CB 3.94Å; L416-E432 HydrophobicContact CD2-CB 3.9Å; L416-L433 HydrophobicContact CB-CD2 3.52Å; L416-L433 HydrophobicContact CB-CG 4.09Å; L416-L433 HydrophobicContact CD1-CD2 4.28Å; L416-L436 HydrophobicContact CD1-CB 4.26Å; L416-L436 HydrophobicContact CD1-CD2 3.92Å
417N94.6Very high90Very high64 Ų6467.2 Ų67.234%0.34234%0.335SS..Hα-helixtrans-64.3-37.3171.8-78.8-39.3000111.8E413 Y420 L421E413-N417 WeakPolarHBondContact CG-ND2 3.46Å; E413-N417 WeakPolarHBondContact O-CB 3.41Å; E413-N417 PolarHBondContact O-N 2.72Å; E413-N417 PolarHBondContact O-ND2 3.15Å; N417-Y420 WeakPolarHBondContact O-CB 3.37Å; N417-Y420 PolarHBondContact O-N 2.91Å; N417-L421 WeakPolarHBondContact O-CG 3.1Å; N417-L421 PolarHBondContact O-N 3.28Å
418Q93Very high90Very high90 Ų9062.1 Ų62.142%0.42131%0.307SS..Hα-helixtrans-62.9-42.5172.6-175.9-178.9-6.200111.7I396 R414 F415 L416 Y420 L421 I422I396-Q418 HydrophobicContact CG2-CB 4.21Å; I396-Q418 HydrophobicContact CG2-CG 4.24Å; R414-Q418 PolarHBondContact O-N 2.88Å; F415-Q418 WeakPolarHBondContact O-CB 3.36Å; F415-Q418 PolarHBondContact O-N 2.8Å; L416-Q418 VanDerWaalsContact C-N 3.32Å; L416-Q418 PolarHBondContact O-N 3.32Å; Q418-Y420 VanDerWaalsContact C-N 3.32Å; Q418-Y420 PolarHBondContact O-N 3.42Å; Q418-L421 PolarHBondContact O-N 3.3Å; Q418-I422 WeakPolarHBondContact O-CG1 3.42Å; Q418-I422 PolarHBondContact O-N 3.39Å
419A90.5Very high89.9Confident0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-61.7-40.9173.700000111.6H393 I396 M397 F415 L416 L421 I422 S423 V429H393-A419 HydrophobicContact CB-CB 4.12Å; I396-A419 HydrophobicContact CG2-CB 4.22Å; M397-A419 HydrophobicContact CB-CB 4.26Å; F415-A419 PolarHBondContact O-N 3.2Å; L416-A419 WeakPolarHBondContact O-CB 3.44Å; L416-A419 PolarHBondContact O-N 3.45Å; A419-L421 VanDerWaalsContact C-N 3.34Å; A419-L421 PolarHBondContact O-N 3.34Å; A419-I422 PolarHBondContact O-N 3.41Å; A419-I422 VanDerWaalsContact O-N 3.13Å; A419-S423 PolarHBondContact O-N 3.11Å; A419-V429 HydrophobicContact CB-CG1 4.15Å; A419-V429 HydrophobicContact CB-CG2 4.21Å
420Y91.9Very high90Very high66 Ų6654.1 Ų54.126%0.25927%0.271SS..Hα-helixtrans-64.2-35.3177.6-178.4-107.6000113.2L416 N417 Q418 I422 S423 P424 V429 L430 L433L416-Y420 WeakPolarHBondContact O-CB 3.22Å; L416-Y420 PolarHBondContact O-N 3.19Å; N417-Y420 WeakPolarHBondContact O-CB 3.37Å; N417-Y420 PolarHBondContact O-N 2.91Å; Q418-Y420 VanDerWaalsContact C-N 3.32Å; Q418-Y420 PolarHBondContact O-N 3.42Å; Y420-I422 VanDerWaalsContact C-N 3.29Å; Y420-I422 PolarHBondContact O-N 3.3Å; Y420-S423 CarbonylContact O-C 3.5Å; Y420-P424 HydrophobicContact CD2-CB 4.39Å; Y420-P424 HydrophobicContact CE2-CB 3.9Å; Y420-P424 WeakPolarHBondContact CE2-O 3.27Å; Y420-P424 VanDerWaalsContact O-CA 3.32Å; Y420-P424 WeakPolarHBondContact O-CA 3.41Å; Y420-P424 VanDerWaalsContact O-N 3.15Å; Y420-V429 HydrophobicContact CD2-CG1 4.39Å; Y420-L430 HydrophobicContact CD2-CD2 4.28Å; Y420-L430 HydrophobicContact CE2-CD2 3.82Å; Y420-L433 HydrophobicContact CD2-CD1 4.1Å; Y420-L433 HydrophobicContact CG-CD1 4.07Å
421L91.6Very high89.9Confident146 Ų14648.2 Ų48.276%0.76424%0.239SC*.Hα-helixtrans-65.5-32.2173.8-70.4172.2000112.4N417 Q418 A419N417-L421 WeakPolarHBondContact O-CG 3.1Å; N417-L421 PolarHBondContact O-N 3.28Å; Q418-L421 PolarHBondContact O-N 3.3Å; A419-L421 VanDerWaalsContact C-N 3.34Å; A419-L421 PolarHBondContact O-N 3.34Å
422I85Confident89.7Confident75 Ų7545.2 Ų45.239%0.38522%0.224SC..Hα-helixtrans-77-43.5178.2-62.7166.6000110.7H393 I396 Q418 A419 Y420H393-I422 HydrophobicContact CB-CB 4.06Å; H393-I422 HydrophobicContact CB-CD1 4.5Å; H393-I422 HydrophobicContact CB-CG2 4.01Å; I396-I422 HydrophobicContact CD1-CD1 3.55Å; Q418-I422 WeakPolarHBondContact O-CG1 3.42Å; Q418-I422 PolarHBondContact O-N 3.39Å; A419-I422 PolarHBondContact O-N 3.41Å; A419-I422 VanDerWaalsContact O-N 3.13Å; Y420-I422 VanDerWaalsContact C-N 3.29Å; Y420-I422 PolarHBondContact O-N 3.3Å
423S81Confident89.7Confident11 Ų1145.7 Ų45.78%0.07723%0.226CC..  trans-139.183.9-177.658.10000112.1H393 A419 Y420 S425 D426H393-S423 WeakPolarHBondContact CB-OG 3.25Å; H393-S423 PolarHBondContact CD2-OG 3.06Å; H393-S423 PolarHBondContact CE1-OG 3.29Å; H393-S423 PolarHBondContact ND1-OG 3.29Å; H393-S423 PolarHBondContact NE2-OG 3.36Å; A419-S423 PolarHBondContact O-N 3.11Å; Y420-S423 CarbonylContact O-C 3.5Å; S423-S425 PolarHBondContact O-N 3.24Å; S423-S425 VanDerWaalsContact O-N 3.16Å; S423-D426 PolarHBondContact O-N 3.5Å
424P84.9Confident89.6Confident74 Ų7442.1 Ų42.148%0.48121%0.21SC..THydrogen-bonded Turntrans-70.4-15-176.227.3-35.4000113.8Y420Y420-P424 HydrophobicContact CD2-CB 4.39Å; Y420-P424 HydrophobicContact CE2-CB 3.9Å; Y420-P424 WeakPolarHBondContact CE2-O 3.27Å; Y420-P424 VanDerWaalsContact O-CA 3.32Å; Y420-P424 WeakPolarHBondContact O-CA 3.41Å; Y420-P424 VanDerWaalsContact O-N 3.15Å
425S82.4Confident89.2Confident65 Ų6533.6 Ų33.646%0.45518%0.178SC..THydrogen-bonded Turntrans-93.9-9.9-178.357.30000114.2S423 P427S423-S425 PolarHBondContact O-N 3.24Å; S423-S425 VanDerWaalsContact O-N 3.16Å; S425-P427 WeakPolarHBondContact O-CD 3.26Å
426D83.6Confident89Confident23 Ų2331.1 Ų31.112%0.12317%0.167CC..  trans-73.3122-173.6-169.838000111.1H393 S423 F428 V429 L430H393-D426 IonicContact CD2-OD2 3.5Å; H393-D426 IonicContact CE1-OD2 3.56Å; H393-D426 VanDerWaalsContact NE2-CG 3.32Å; H393-D426 IonicContact NE2-OD2 2.72Å; H393-D426 PolarHBondContact NE2-OD2 2.86Å; S423-D426 PolarHBondContact O-N 3.5Å; D426-F428 PolarHBondContact O-N 2.95Å; D426-F428 WeakPolarHBondContact OD1-CD2 3.44Å; D426-V429 HydrophobicContact CB-CG2 4.15Å; D426-V429 PolarHBondContact O-N 2.9Å; D426-L430 PolarHBondContact O-N 3.15Å
427P87Confident88.9Confident2 Ų231.6 Ų31.61%0.01317%0.171CC..Hα-helixtrans-66.8-23-176.4-0.96.8000113.3S425 H431 R456 L460 W469S425-P427 WeakPolarHBondContact O-CD 3.26Å; P427-H431 WeakPolarHBondContact O-CB 3.39Å; P427-H431 PolarHBondContact O-N 3.25Å; P427-R456 HydrophobicContact CB-CB 4.07Å; P427-R456 HydrophobicContact CG-CB 3.86Å; P427-L460 HydrophobicContact CG-CD1 3.47Å; P427-L460 VanDerWaalsContact CG-CD1 3.47Å; P427-W469 HydrophobicContact CB-CH2 3.57Å; P427-W469 HydrophobicContact CB-CZ2 4.3Å; P427-W469 HydrophobicContact CB-CZ3 4.07Å; P427-W469 HydrophobicContact CG-CH2 3.81Å; P427-W469 HydrophobicContact CG-CZ2 4.15Å
428F86.8Confident88.7Confident8 Ų829.7 Ų29.74%0.03516%0.16CC..Hα-helixtrans-69.3-48.8177.8-57.2-78.7000111.4C271 M397 D426 L430 H431 E432 F468 W469C271-F428 WeakPolarHBondContact SG-CZ 3.36Å; M397-F428 HydrophobicContact CE-CB 4.26Å; M397-F428 HydrophobicContact SD-CB 3.78Å; D426-F428 PolarHBondContact O-N 2.95Å; D426-F428 WeakPolarHBondContact OD1-CD2 3.44Å; F428-L430 PolarHBondContact O-N 3.41Å; F428-H431 WeakPolarHBondContact O-CB 3.39Å; F428-H431 PolarHBondContact O-N 3.34Å; F428-E432 VanDerWaalsContact O-CG 3.32Å; F428-E432 WeakPolarHBondContact O-CG 3.47Å; F428-E432 PolarHBondContact O-N 3.35Å; F428-F468 AromaticContact CE1-CE1 3.48Å; F428-F468 HydrophobicContact CE1-CE1 3.48Å; F428-F468 VanDerWaalsContact CE1-CE1 3.48Å; F428-F468 AromaticContact CE1-CZ 3.78Å; F428-F468 HydrophobicContact CE1-CZ 3.78Å; F428-F468 AromaticContact CZ-CE1 3.65Å; F428-F468 HydrophobicContact CZ-CE1 3.65Å; F428-F468 HydrophobicContact CZ-CZ 4.28Å; F428-W469 AromaticContact CD1-CH2 3.82Å; F428-W469 HydrophobicContact CD1-CH2 3.82Å; F428-W469 AromaticContact CD1-CZ3 3.92Å; F428-W469 HydrophobicContact CD1-CZ3 3.92Å; F428-W469 HydrophobicContact CD2-CH2 4.07Å; F428-W469 HydrophobicContact CE1-CE3 4.39Å; F428-W469 AromaticContact CE1-CH2 3.17Å; F428-W469 HydrophobicContact CE1-CH2 3.17Å; F428-W469 AromaticContact CE1-CZ2 3.9Å; F428-W469 HydrophobicContact CE1-CZ2 3.9Å; F428-W469 AromaticContact CE1-CZ3 3.45Å; F428-W469 HydrophobicContact CE1-CZ3 3.45Å; F428-W469 VanDerWaalsContact CE1-CZ3 3.45Å; F428-W469 AromaticContact CE2-CH2 3.49Å; F428-W469 HydrophobicContact CE2-CH2 3.49Å; F428-W469 VanDerWaalsContact CE2-CH2 3.49Å; F428-W469 AromaticContact CE2-CZ2 3.94Å; F428-W469 HydrophobicContact CE2-CZ2 3.94Å; F428-W469 HydrophobicContact CG-CH2 4.22Å; F428-W469 AromaticContact CZ-CH2 2.97Å; F428-W469 HydrophobicContact CZ-CH2 2.97Å; F428-W469 AromaticContact CZ-CZ2 3.34Å; F428-W469 HydrophobicContact CZ-CZ2 3.34Å; F428-W469 AromaticContact CZ-CZ3 3.79Å; F428-W469 HydrophobicContact CZ-CZ3 3.79Å
429V89.3Confident88.4Confident0 Ų027.4 Ų27.40%015%0.149CC..Hα-helixtrans-58.3-40.9176.6-178.10000111.1H393 M397 A419 Y420 D426 E432 L433H393-V429 WeakPolarHBondContact CD2-CG2 3.38Å; M397-V429 HydrophobicContact CG-CG2 4.42Å; M397-V429 HydrophobicContact SD-CG2 3.92Å; A419-V429 HydrophobicContact CB-CG1 4.15Å; A419-V429 HydrophobicContact CB-CG2 4.21Å; Y420-V429 HydrophobicContact CD2-CG1 4.39Å; D426-V429 HydrophobicContact CB-CG2 4.15Å; D426-V429 PolarHBondContact O-N 2.9Å; V429-E432 PolarHBondContact O-N 2.9Å; V429-L433 HydrophobicContact CG1-CD1 4.25Å; V429-L433 WeakPolarHBondContact O-CG 3.37Å; V429-L433 PolarHBondContact O-N 2.78Å
430L92.1Very high88.3Confident5 Ų529.1 Ų29.13%0.02616%0.161CC..Hα-helixtrans-65.9-38.5175.8-69.9170.6000112.7Y420 D426 F428 G434 F449 R452 A453 R456Y420-L430 HydrophobicContact CD2-CD2 4.28Å; Y420-L430 HydrophobicContact CE2-CD2 3.82Å; D426-L430 PolarHBondContact O-N 3.15Å; F428-L430 PolarHBondContact O-N 3.41Å; L430-G434 PolarHBondContact O-N 3.14Å; L430-F449 HydrophobicContact CD2-CD1 4.02Å; L430-R452 HydrophobicContact CD1-CB 4.12Å; L430-A453 HydrophobicContact CB-CB 3.68Å; L430-R456 HydrophobicContact CD1-CG 4.44Å
431H90.8Very high88.2Confident4 Ų432.3 Ų32.32%0.01918%0.178CC..Hα-helixtrans-59.1-48.2173.7-179.370.1000110.7P427 F428 G434 T435 L472 N475P427-H431 WeakPolarHBondContact O-CB 3.39Å; P427-H431 PolarHBondContact O-N 3.25Å; F428-H431 WeakPolarHBondContact O-CB 3.39Å; F428-H431 PolarHBondContact O-N 3.34Å; H431-G434 CarbonylContact O-C 3.51Å; H431-G434 WeakPolarHBondContact O-CA 3.36Å; H431-G434 PolarHBondContact O-N 3.41Å; H431-T435 PolarHBondContact O-N 3.29Å; H431-L472 HydrophobicContact CB-CD1 4.29Å; H431-L472 VanDerWaalsContact CE1-CA 3.49Å; H431-L472 WeakPolarHBondContact CE1-CA 3.5Å; H431-L472 VanDerWaalsContact ND1-CD1 3.3Å; H431-L472 WeakPolarHBondContact ND1-CD1 3.26Å; H431-N475 PolarHBondContact CE1-ND2 2.71Å; H431-N475 PolarHBondContact NE2-ND2 2.66Å
432E89.7Confident88.2Confident3 Ų330 Ų301%0.01416%0.162CC..Hα-helixtrans-72.2-35.1-176.2-47.5-41-174.100113.7M397 I401 L416 F428 V429 G434 T435 L436 A585M397-E432 HydrophobicContact CG-CG 4.25Å; M397-E432 HydrophobicContact SD-CG 4.32Å; I401-E432 HydrophobicContact CD1-CG 3.86Å; I401-E432 HydrophobicContact CG1-CG 4.03Å; L416-E432 HydrophobicContact CD1-CB 3.94Å; L416-E432 HydrophobicContact CD2-CB 3.9Å; F428-E432 VanDerWaalsContact O-CG 3.32Å; F428-E432 WeakPolarHBondContact O-CG 3.47Å; F428-E432 PolarHBondContact O-N 3.35Å; V429-E432 PolarHBondContact O-N 2.9Å; E432-G434 PolarHBondContact O-N 3.41Å; E432-T435 WeakPolarHBondContact CA-OG1 3.27Å; E432-T435 PolarHBondContact O-N 3.15Å; E432-T435 PolarHBondContact O-OG1 2.94Å; E432-L436 WeakPolarHBondContact O-CB 3.23Å; E432-L436 PolarHBondContact O-N 3.34Å; E432-A585 HydrophobicContact CB-CB 3.83Å; E432-A585 HydrophobicContact CG-CB 3.52Å; E432-A585 WeakPolarHBondContact OE1-CA 3.44Å; E432-A585 WeakPolarHBondContact OE1-CB 3.47Å; E432-A585 WeakPolarHBondContact OE2-CA 3.44Å; E432-A585 WeakPolarHBondContact OE2-CB 3.14Å; E432-A585 PolarHBondContact OE2-N 2.88Å
433L92.4Very high88.5Confident9 Ų929.4 Ų29.45%0.04716%0.156CC..Hα-helixtrans-61.8-38.1168.9-76.2173.7000111.1L416 Y420 V429 A437 F449L416-L433 HydrophobicContact CB-CD2 3.52Å; L416-L433 HydrophobicContact CB-CG 4.09Å; L416-L433 HydrophobicContact CD1-CD2 4.28Å; Y420-L433 HydrophobicContact CD2-CD1 4.1Å; Y420-L433 HydrophobicContact CG-CD1 4.07Å; V429-L433 HydrophobicContact CG1-CD1 4.25Å; V429-L433 WeakPolarHBondContact O-CG 3.37Å; V429-L433 PolarHBondContact O-N 2.78Å; L433-A437 VanDerWaalsContact O-CB 3.26Å; L433-A437 WeakPolarHBondContact O-CB 3.38Å; L433-A437 PolarHBondContact O-N 2.81Å; L433-F449 HydrophobicContact CB-CD1 4.37Å; L433-F449 HydrophobicContact CB-CD2 4.38Å; L433-F449 HydrophobicContact CB-CG 4.24Å; L433-F449 HydrophobicContact CD1-CE1 4.34Å
434G90.8Very high89.2Confident0 Ų033.7 Ų33.70%018%0.181CC..Hα-helixtrans-63.1-45.3174.300000113.1L430 H431 E432 A437 F438 A446L430-G434 PolarHBondContact O-N 3.14Å; H431-G434 CarbonylContact O-C 3.51Å; H431-G434 WeakPolarHBondContact O-CA 3.36Å; H431-G434 PolarHBondContact O-N 3.41Å; E432-G434 PolarHBondContact O-N 3.41Å; G434-A437 PolarHBondContact O-N 3.27Å; G434-F438 PolarHBondContact O-N 3.41Å; G434-A446 WeakPolarHBondContact O-CB 3.49Å
435T88.3Confident89.6Confident4 Ų433.5 Ų33.53%0.02518%0.176CC..Hα-helixtrans-65.9-44.1177.259.90000111.5H431 E432 A437 F438 E439 N475H431-T435 PolarHBondContact O-N 3.29Å; E432-T435 WeakPolarHBondContact CA-OG1 3.27Å; E432-T435 PolarHBondContact O-N 3.15Å; E432-T435 PolarHBondContact O-OG1 2.94Å; T435-A437 VanDerWaalsContact C-N 3.35Å; T435-A437 PolarHBondContact O-N 3.08Å; T435-F438 WeakPolarHBondContact O-CB 3.48Å; T435-F438 PolarHBondContact O-N 2.96Å; T435-F438 VanDerWaalsContact O-N 3.13Å; T435-E439 WeakPolarHBondContact O-CG 3.32Å; T435-E439 PolarHBondContact O-N 3.23Å; T435-N475 VanDerWaalsContact CG2-ND2 3.29Å; T435-N475 WeakPolarHBondContact CG2-ND2 3.49Å
436L89.9Confident90.1Very high4 Ų430.4 Ų30.42%0.02115%0.154CC..Hα-helixtrans-64-39.6178.2-179.666.6000112.1S404 R409 A412 E413 L416 E432 F438 E439 S440S404-L436 WeakPolarHBondContact OG-CD1 3.29Å; R409-L436 HydrophobicContact CB-CD1 4.14Å; R409-L436 HydrophobicContact CG-CD1 4.27Å; A412-L436 HydrophobicContact CB-CD1 3.89Å; A412-L436 HydrophobicContact CB-CD2 3.92Å; E413-L436 VanDerWaalsContact CA-CD2 3.42Å; E413-L436 HydrophobicContact CB-CD2 3.72Å; E413-L436 HydrophobicContact CG-CD2 4.4Å; E413-L436 VanDerWaalsContact N-CD2 3.33Å; L416-L436 HydrophobicContact CD1-CB 4.26Å; L416-L436 HydrophobicContact CD1-CD2 3.92Å; E432-L436 WeakPolarHBondContact O-CB 3.23Å; E432-L436 PolarHBondContact O-N 3.34Å; L436-F438 VanDerWaalsContact C-N 3.29Å; L436-F438 PolarHBondContact O-N 3.47Å; L436-E439 PolarHBondContact O-N 3.3Å; L436-S440 WeakPolarHBondContact O-CB 3.16Å; L436-S440 PolarHBondContact O-N 3.28Å; L436-S440 PolarHBondContact O-OG 3.05Å
437A92.2Very high90.6Very high11 Ų1130 Ų309%0.09115%0.153CC..Hα-helixtrans-64-36.9174.200000111.6L433 G434 T435 S440 Q441 K442 D445 A446L433-A437 VanDerWaalsContact O-CB 3.26Å; L433-A437 WeakPolarHBondContact O-CB 3.38Å; L433-A437 PolarHBondContact O-N 2.81Å; G434-A437 PolarHBondContact O-N 3.27Å; T435-A437 VanDerWaalsContact C-N 3.35Å; T435-A437 PolarHBondContact O-N 3.08Å; A437-S440 CarbonylContact O-C 3.5Å; A437-S440 PolarHBondContact O-N 3.11Å; A437-Q441 PolarHBondContact O-N 3.41Å; A437-K442 PolarHBondContact O-N 2.94Å; A437-D445 HydrophobicContact CB-CB 4.47Å; A437-A446 HydrophobicContact CB-CB 3.89Å
438F88.9Confident91Very high24 Ų2436.9 Ų36.911%0.10518%0.178CC..Hα-helixtrans-66.4-45174.8-173.1-84.3000112.1G434 T435 L436 S440 Q441 Y443 A446 K482 M582G434-F438 PolarHBondContact O-N 3.41Å; T435-F438 WeakPolarHBondContact O-CB 3.48Å; T435-F438 PolarHBondContact O-N 2.96Å; T435-F438 VanDerWaalsContact O-N 3.13Å; L436-F438 VanDerWaalsContact C-N 3.29Å; L436-F438 PolarHBondContact O-N 3.47Å; F438-S440 PolarHBondContact O-N 3.25Å; F438-Q441 PolarHBondContact O-N 2.86Å; F438-Y443 AromaticContact CD2-CD1 3.62Å; F438-Y443 HydrophobicContact CD2-CD1 3.62Å; F438-Y443 AromaticContact CD2-CE1 3.84Å; F438-Y443 HydrophobicContact CD2-CE1 3.84Å; F438-Y443 HydrophobicContact CE1-CE1 4.41Å; F438-Y443 AromaticContact CE2-CD1 3.67Å; F438-Y443 HydrophobicContact CE2-CD1 3.67Å; F438-Y443 AromaticContact CE2-CE1 3.64Å; F438-Y443 HydrophobicContact CE2-CE1 3.64Å; F438-Y443 HydrophobicContact CG-CD1 4.35Å; F438-Y443 HydrophobicContact CG-CE1 4.3Å; F438-Y443 HydrophobicContact CZ-CD1 4.43Å; F438-Y443 AromaticContact CZ-CE1 3.94Å; F438-Y443 HydrophobicContact CZ-CE1 3.94Å; F438-A446 HydrophobicContact CB-CB 4.05Å; F438-K482 HydrophobicContact CE2-CB 4.15Å; F438-K482 HydrophobicContact CE2-CG 3.75Å; F438-K482 HydrophobicContact CZ-CG 3.7Å; F438-M582 HydrophobicContact CB-CE 4.22Å; F438-M582 HydrophobicContact CD1-CE 3.35Å; F438-M582 HydrophobicContact CD1-CG 3.71Å; F438-M582 HydrophobicContact CD1-SD 4.35Å; F438-M582 HydrophobicContact CD2-CE 3.3Å; F438-M582 HydrophobicContact CE1-CE 3.36Å; F438-M582 HydrophobicContact CE1-CG 3.54Å; F438-M582 HydrophobicContact CE1-SD 4.29Å; F438-M582 HydrophobicContact CE2-CE 3.3Å; F438-M582 HydrophobicContact CG-CE 3.33Å; F438-M582 HydrophobicContact CZ-CE 3.34Å; F438-M582 HydrophobicContact CZ-CG 4.3Å
439E86.8Confident91.3Very high42 Ų4238.9 Ų38.920%0.19619%0.187CC..Hα-helixtrans-60.2-31.5173.6-71.7173.9-167.600112.2S404 T435 L436 Q441 S584S404-E439 PolarHBondContact OG-OE2 3.46Å; T435-E439 WeakPolarHBondContact O-CG 3.32Å; T435-E439 PolarHBondContact O-N 3.23Å; L436-E439 PolarHBondContact O-N 3.3Å; E439-Q441 PolarHBondContact O-N 3.35Å; E439-S584 WeakPolarHBondContact OE1-CB 3.46Å
440S88.7Confident91.5Very high36 Ų3638.9 Ų38.925%0.25219%0.187SC..THydrogen-bonded Turntrans-83.17.7175.2-56.40000113.7L436 A437 F438 K442L436-S440 WeakPolarHBondContact O-CB 3.16Å; L436-S440 PolarHBondContact O-N 3.28Å; L436-S440 PolarHBondContact O-OG 3.05Å; A437-S440 CarbonylContact O-C 3.5Å; A437-S440 PolarHBondContact O-N 3.11Å; F438-S440 PolarHBondContact O-N 3.25Å; S440-K442 PolarHBondContact O-N 3.49Å
441Q89.2Confident91.6Very high132 Ų13240.6 Ų40.662%0.61720%0.198SC*.THydrogen-bonded Turntrans61.716.7-179-55.5177.4-2.600115A437 F438 E439 Y443A437-Q441 PolarHBondContact O-N 3.41Å; F438-Q441 PolarHBondContact O-N 2.86Å; E439-Q441 PolarHBondContact O-N 3.35Å; Q441-Y443 PolarHBondContact O-N 3.12Å
442K92.5Very high91.7Very high97 Ų9744.9 Ų44.942%0.42221%0.214SC..  trans-90.669.7175.7-61.5177.4-172.8168.50110.1A437 S440 V444 D445 A446A437-K442 PolarHBondContact O-N 2.94Å; S440-K442 PolarHBondContact O-N 3.49Å; K442-V444 VanDerWaalsContact C-N 3.3Å; K442-V444 PolarHBondContact O-N 3.38Å; K442-D445 HydrophobicContact CB-CB 4.29Å; K442-D445 PolarHBondContact O-N 3.13Å; K442-A446 WeakPolarHBondContact O-CB 3.4Å; K442-A446 PolarHBondContact O-N 3.31Å
443Y92.4Very high91.8Very high64 Ų6444.8 Ų44.825%0.25121%0.213SC..Hα-helixtrans-63-31.1-171.5-54.5-55.9000114.7F438 Q441 T447 K482F438-Y443 AromaticContact CD2-CD1 3.62Å; F438-Y443 HydrophobicContact CD2-CD1 3.62Å; F438-Y443 AromaticContact CD2-CE1 3.84Å; F438-Y443 HydrophobicContact CD2-CE1 3.84Å; F438-Y443 HydrophobicContact CE1-CE1 4.41Å; F438-Y443 AromaticContact CE2-CD1 3.67Å; F438-Y443 HydrophobicContact CE2-CD1 3.67Å; F438-Y443 AromaticContact CE2-CE1 3.64Å; F438-Y443 HydrophobicContact CE2-CE1 3.64Å; F438-Y443 HydrophobicContact CG-CD1 4.35Å; F438-Y443 HydrophobicContact CG-CE1 4.3Å; F438-Y443 HydrophobicContact CZ-CD1 4.43Å; F438-Y443 AromaticContact CZ-CE1 3.94Å; F438-Y443 HydrophobicContact CZ-CE1 3.94Å; Q441-Y443 PolarHBondContact O-N 3.12Å; Y443-T447 PolarHBondContact O-N 3.05Å; Y443-T447 PolarHBondContact O-OG1 3.43Å; Y443-K482 HydrophobicContact CD1-CB 3.8Å; Y443-K482 HydrophobicContact CD1-CG 4.3Å; Y443-K482 HydrophobicContact CD2-CB 4.13Å; Y443-K482 HydrophobicContact CE1-CB 3.87Å; Y443-K482 HydrophobicContact CE1-CG 3.9Å; Y443-K482 HydrophobicContact CE2-CB 4.18Å; Y443-K482 HydrophobicContact CG-CB 3.95Å
444V94.6Very high91.7Very high100 Ų10047 Ų4761%0.60622%0.221SC*.Hα-helixtrans-69.6-40.2178-1780000111.3K442 T447 R448 M483K442-V444 VanDerWaalsContact C-N 3.3Å; K442-V444 PolarHBondContact O-N 3.38Å; V444-T447 PolarHBondContact O-OG1 3Å; V444-R448 PolarHBondContact O-N 2.91Å; V444-M483 HydrophobicContact CG2-CE 4.39Å
445D93.5Very high91.7Very high71 Ų7152 Ų5238%0.3825%0.245SC..Hα-helixtrans-72.6-40.1176.3-64.3-33.3000110.5A437 K442 T447 R448 F449A437-D445 HydrophobicContact CB-CB 4.47Å; K442-D445 HydrophobicContact CB-CB 4.29Å; K442-D445 PolarHBondContact O-N 3.13Å; D445-T447 PolarHBondContact O-N 3.39Å; D445-R448 WeakPolarHBondContact O-CB 3.22Å; D445-R448 PolarHBondContact O-N 3.07Å; D445-F449 HydrophobicContact CB-CE2 4.32Å; D445-F449 WeakPolarHBondContact O-CD2 3.48Å; D445-F449 PolarHBondContact O-N 2.6Å
446A92.1Very high91.6Very high0 Ų056.9 Ų56.90%026%0.263CS..Hα-helixtrans-56.9-49.5176.200000112.1G434 A437 F438 K442 R448 F449 L450G434-A446 WeakPolarHBondContact O-CB 3.49Å; A437-A446 HydrophobicContact CB-CB 3.89Å; F438-A446 HydrophobicContact CB-CB 4.05Å; K442-A446 WeakPolarHBondContact O-CB 3.4Å; K442-A446 PolarHBondContact O-N 3.31Å; A446-R448 VanDerWaalsContact C-N 3.32Å; A446-R448 PolarHBondContact O-N 2.83Å; A446-F449 PolarHBondContact O-N 2.99Å; A446-L450 WeakPolarHBondContact O-CB 3.47Å; A446-L450 WeakPolarHBondContact O-CD1 3.46Å; A446-L450 WeakPolarHBondContact O-CG 3.21Å; A446-L450 PolarHBondContact O-N 2.71Å
447T94.6Very high91.4Very high14 Ų1456.7 Ų56.79%0.08626%0.262CS..Hα-helixtrans-59-42.6175.840.30000111.9Y443 V444 D445 F449 L450 V451 S479 Y480 M483Y443-T447 PolarHBondContact O-N 3.05Å; Y443-T447 PolarHBondContact O-OG1 3.43Å; V444-T447 PolarHBondContact O-OG1 3Å; D445-T447 PolarHBondContact O-N 3.39Å; T447-F449 PolarHBondContact O-N 3.27Å; T447-L450 PolarHBondContact O-N 3.2Å; T447-V451 WeakPolarHBondContact O-CB 3.49Å; T447-V451 WeakPolarHBondContact O-CG2 3.49Å; T447-V451 PolarHBondContact O-N 3.27Å; T447-S479 WeakPolarHBondContact CG2-OG 3.3Å; T447-Y480 HydrophobicContact CG2-CD1 4.03Å; T447-Y480 HydrophobicContact CG2-CE1 4.13Å; T447-M483 HydrophobicContact CG2-CG 4.48Å; T447-M483 HydrophobicContact CG2-SD 3.38Å; T447-M483 WeakPolarHBondContact CG2-SD 3.48Å; T447-M483 PolarHBondContact OG1-SD 3.44Å
448R95.7Very high91.1Very high147 Ų14757.1 Ų57.156%0.55526%0.264SS*.Hα-helixtrans-60.6-44178.9-174.5-177.6-179.1-1751.3112.5V444 D445 A446 R452V444-R448 PolarHBondContact O-N 2.91Å; D445-R448 WeakPolarHBondContact O-CB 3.22Å; D445-R448 PolarHBondContact O-N 3.07Å; A446-R448 VanDerWaalsContact C-N 3.32Å; A446-R448 PolarHBondContact O-N 2.83Å; R448-R452 WeakPolarHBondContact O-CG 3.29Å; R448-R452 PolarHBondContact O-N 3.04Å
449F93.7Very high90.9Very high49 Ų4961.4 Ų61.422%0.21528%0.284CS..Hα-helixtrans-68.9-44.4177.5-70.9-62000111.9L430 L433 D445 A446 T447 R452 A453L430-F449 HydrophobicContact CD2-CD1 4.02Å; L433-F449 HydrophobicContact CB-CD1 4.37Å; L433-F449 HydrophobicContact CB-CD2 4.38Å; L433-F449 HydrophobicContact CB-CG 4.24Å; L433-F449 HydrophobicContact CD1-CE1 4.34Å; D445-F449 HydrophobicContact CB-CE2 4.32Å; D445-F449 WeakPolarHBondContact O-CD2 3.48Å; D445-F449 PolarHBondContact O-N 2.6Å; A446-F449 PolarHBondContact O-N 2.99Å; T447-F449 PolarHBondContact O-N 3.27Å; F449-R452 PolarHBondContact O-N 3Å; F449-A453 PolarHBondContact O-N 3.32Å
450L92.3Very high90.4Very high1 Ų160.7 Ų60.71%0.00528%0.282CS..Hα-helixtrans-66.2-38.6-179-68.3167.7000112.6A446 T447 A453 Y454 L472 N475 L476A446-L450 WeakPolarHBondContact O-CB 3.47Å; A446-L450 WeakPolarHBondContact O-CD1 3.46Å; A446-L450 WeakPolarHBondContact O-CG 3.21Å; A446-L450 PolarHBondContact O-N 2.71Å; T447-L450 PolarHBondContact O-N 3.2Å; L450-A453 PolarHBondContact O-N 3.02Å; L450-Y454 WeakPolarHBondContact O-CB 3.17Å; L450-Y454 PolarHBondContact O-N 3.4Å; L450-L472 HydrophobicContact CD2-CD1 3.76Å; L450-N475 HydrophobicContact CD1-CB 4.38Å; L450-N475 HydrophobicContact CD2-CB 4.2Å; L450-L476 HydrophobicContact CB-CB 4.17Å; L450-L476 HydrophobicContact CB-CD1 4.38Å; L450-L476 HydrophobicContact CB-CG 4.31Å
451V94.5Very high89.4Confident41 Ų4160.5 Ų60.525%0.24828%0.281CS..Hα-helixtrans-63-44.5174.7169.60000110.7T447 A453 Y454 E455 L476T447-V451 WeakPolarHBondContact O-CB 3.49Å; T447-V451 WeakPolarHBondContact O-CG2 3.49Å; T447-V451 PolarHBondContact O-N 3.27Å; V451-A453 PolarHBondContact O-N 3.2Å; V451-Y454 WeakPolarHBondContact O-CB 3.37Å; V451-Y454 PolarHBondContact O-N 2.59Å; V451-E455 WeakPolarHBondContact O-CG 3.48Å; V451-E455 PolarHBondContact O-N 3.39Å; V451-L476 HydrophobicContact CG2-CD1 4.05Å
452R93.5Very high88.3Confident94 Ų9456.5 Ų56.536%0.35528%0.275SS..Hα-helixtrans-63.2-41.1175.5-73.1176.9173-167.9-5.8112.3L430 R448 F449 Y454 E455 R456L430-R452 HydrophobicContact CD1-CB 4.12Å; R448-R452 WeakPolarHBondContact O-CG 3.29Å; R448-R452 PolarHBondContact O-N 3.04Å; F449-R452 PolarHBondContact O-N 3Å; R452-Y454 VanDerWaalsContact C-N 3.29Å; R452-Y454 PolarHBondContact O-N 2.73Å; R452-E455 PolarHBondContact O-N 3.21Å; R452-R456 WeakPolarHBondContact O-CG 3.23Å; R452-R456 PolarHBondContact O-N 3.3Å
453A90.5Very high86.8Confident0 Ų060.2 Ų60.20%029%0.294CS..Hα-helixtrans-60.2-42.8174.400000110.9L430 F449 L450 V451 R456 A457 L472L430-A453 HydrophobicContact CB-CB 3.68Å; F449-A453 PolarHBondContact O-N 3.32Å; L450-A453 PolarHBondContact O-N 3.02Å; V451-A453 PolarHBondContact O-N 3.2Å; A453-R456 PolarHBondContact O-N 2.92Å; A453-A457 WeakPolarHBondContact O-CB 3.39Å; A453-A457 PolarHBondContact O-N 3.21Å; A453-L472 HydrophobicContact CB-CD1 3.69Å; A453-L472 HydrophobicContact CB-CD2 4.07Å
454Y91Very high85.4Confident55 Ų5562.1 Ų62.122%0.21631%0.311CS..Hα-helixtrans-64.1-45.7178178.9-98.6000112.2L450 V451 R452 R456 A457 C458 P465 V473 L476 M492L450-Y454 WeakPolarHBondContact O-CB 3.17Å; L450-Y454 PolarHBondContact O-N 3.4Å; V451-Y454 WeakPolarHBondContact O-CB 3.37Å; V451-Y454 PolarHBondContact O-N 2.59Å; R452-Y454 VanDerWaalsContact C-N 3.29Å; R452-Y454 PolarHBondContact O-N 2.73Å; Y454-R456 VanDerWaalsContact C-N 3.34Å; Y454-R456 PolarHBondContact O-N 3.28Å; Y454-A457 PolarHBondContact O-N 3.19Å; Y454-C458 PolarHBondContact O-N 2.98Å; Y454-C458 PolarHBondContact O-SG 3.1Å; Y454-P465 HydrophobicContact CD2-CG 4.4Å; Y454-P465 HydrophobicContact CE2-CG 3.7Å; Y454-V473 HydrophobicContact CD2-CG2 4.11Å; Y454-V473 HydrophobicContact CE2-CG2 3.94Å; Y454-L476 HydrophobicContact CG-CD1 4.39Å; Y454-M492 HydrophobicContact CD2-CE 4.33Å; Y454-M492 HydrophobicContact CE2-CE 4.12Å
455E91.3Very high84.2Confident107 Ų10757.8 Ų57.850%0.529%0.286SS..Hα-helixtrans-56.7-47.1174.9-72.3170.4172.900111.4V451 R452 C458 E459V451-E455 WeakPolarHBondContact O-CG 3.48Å; V451-E455 PolarHBondContact O-N 3.39Å; R452-E455 PolarHBondContact O-N 3.21Å; E455-C458 WeakPolarHBondContact O-CB 3.41Å; E455-C458 PolarHBondContact O-N 3.34Å; E455-E459 WeakPolarHBondContact O-CG 3.22Å; E455-E459 PolarHBondContact O-N 3.19Å
456R86.1Confident83.2Confident105 Ų10556 Ų5640%0.39628%0.279SS..Hα-helixtrans-65.4-40.6176.8-66.9-56-169.4175.31.5112.8P427 L430 R452 A453 Y454 C458 E459 L460P427-R456 HydrophobicContact CB-CB 4.07Å; P427-R456 HydrophobicContact CG-CB 3.86Å; L430-R456 HydrophobicContact CD1-CG 4.44Å; R452-R456 WeakPolarHBondContact O-CG 3.23Å; R452-R456 PolarHBondContact O-N 3.3Å; A453-R456 PolarHBondContact O-N 2.92Å; Y454-R456 VanDerWaalsContact C-N 3.34Å; Y454-R456 PolarHBondContact O-N 3.28Å; R456-C458 VanDerWaalsContact C-N 3.3Å; R456-C458 PolarHBondContact O-N 3.35Å; R456-E459 WeakPolarHBondContact CD-OE2 3.26Å; R456-E459 IonicContact CZ-OE2 3.42Å; R456-E459 IonicContact NE-OE2 3.7Å; R456-E459 IonicContact NH1-OE1 2.68Å; R456-E459 IonicContact NH1-OE2 3.26Å; R456-E459 PolarHBondContact NH1-OE2 2.89Å; R456-E459 PolarHBondContact O-N 3.39Å; R456-L460 VanDerWaalsContact O-CG 3.28Å; R456-L460 WeakPolarHBondContact O-CG 3.4Å; R456-L460 PolarHBondContact O-N 3.33Å
457A84.8Confident82.6Confident0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-61-40.3175.600000111.6A453 Y454 L460 S461 W469 L472A453-A457 WeakPolarHBondContact O-CB 3.39Å; A453-A457 PolarHBondContact O-N 3.21Å; Y454-A457 PolarHBondContact O-N 3.19Å; A457-L460 PolarHBondContact O-N 2.89Å; A457-S461 WeakPolarHBondContact O-CB 3.22Å; A457-S461 PolarHBondContact O-N 3.31Å; A457-S461 PolarHBondContact O-OG 3.4Å; A457-W469 HydrophobicContact CB-CD2 3.76Å; A457-W469 HydrophobicContact CB-CE3 4.2Å; A457-W469 HydrophobicContact CB-CG 4.04Å; A457-W469 HydrophobicContact CB-CH2 4.46Å; A457-W469 HydrophobicContact CB-CZ2 4.1Å; A457-L472 HydrophobicContact CB-CD2 4.08Å
458C86.1Confident81.7Confident21 Ų2160.2 Ų60.214%0.14230%0.304CS..Hα-helixtrans-65.9-39.1174.6-70.40000112.7Y454 E455 R456 G462 Q463Y454-C458 PolarHBondContact O-N 2.98Å; Y454-C458 PolarHBondContact O-SG 3.1Å; E455-C458 WeakPolarHBondContact O-CB 3.41Å; E455-C458 PolarHBondContact O-N 3.34Å; R456-C458 VanDerWaalsContact C-N 3.3Å; R456-C458 PolarHBondContact O-N 3.35Å; C458-G462 PolarHBondContact O-N 3Å; C458-G462 VanDerWaalsContact O-N 3.11Å; C458-Q463 PolarHBondContact O-N 3.27Å
459E84.5Confident81.1Confident114 Ų11453.7 Ų53.753%0.53328%0.28SS..Hα-helixtrans-61.9-42.6174.7-73.5173.6-178.800111.9E455 R456E455-E459 WeakPolarHBondContact O-CG 3.22Å; E455-E459 PolarHBondContact O-N 3.19Å; R456-E459 WeakPolarHBondContact CD-OE2 3.26Å; R456-E459 IonicContact CZ-OE2 3.42Å; R456-E459 IonicContact NE-OE2 3.7Å; R456-E459 IonicContact NH1-OE1 2.68Å; R456-E459 IonicContact NH1-OE2 3.26Å; R456-E459 PolarHBondContact NH1-OE2 2.89Å; R456-E459 PolarHBondContact O-N 3.39Å
460L76.6Confident80.7Confident26 Ų2651.7 Ų51.714%0.13627%0.271CS..Hα-helixtrans-70.3-41.2-179.2-67.6171.7000112.8V241 V270 R272 P427 R456 A457V241-L460 HydrophobicContact CG2-CD2 3.76Å; V270-L460 HydrophobicContact CG1-CB 4.02Å; V270-L460 HydrophobicContact CG1-CD2 4.09Å; V270-L460 WeakPolarHBondContact CG1-O 3.44Å; V270-L460 HydrophobicContact CG2-CD2 4.31Å; R272-L460 PolarHBondContact NE-O 3.41Å; R272-L460 PolarHBondContact NH2-O 3.33Å; P427-L460 HydrophobicContact CG-CD1 3.47Å; P427-L460 VanDerWaalsContact CG-CD1 3.47Å; R456-L460 VanDerWaalsContact O-CG 3.28Å; R456-L460 WeakPolarHBondContact O-CG 3.4Å; R456-L460 PolarHBondContact O-N 3.33Å; A457-L460 PolarHBondContact O-N 2.89Å
461S68.1Low80.3Confident33 Ų3351.9 Ų51.923%0.23127%0.272CS..Hα-helixtrans-87.2-11.3-173.954.70000114.8A457 V464 P465A457-S461 WeakPolarHBondContact O-CB 3.22Å; A457-S461 PolarHBondContact O-N 3.31Å; A457-S461 PolarHBondContact O-OG 3.4Å; S461-V464 WeakPolarHBondContact CB-O 3.48Å; S461-V464 PolarHBondContact OG-O 2.74Å; S461-V464 VanDerWaalsContact OG-O 3.07Å; S461-P465 WeakPolarHBondContact OG-CA 3.47Å
462G65Low79.9Confident48 Ų4850 Ų5050%0.49526%0.261SS..THydrogen-bonded Turntrans82.263.1-177.600000112.3C458 V464C458-G462 PolarHBondContact O-N 3Å; C458-G462 VanDerWaalsContact O-N 3.11Å; G462-V464 VanDerWaalsContact C-N 3.26Å; G462-V464 PolarHBondContact O-N 2.97Å; G462-V464 VanDerWaalsContact O-N 3.08Å
463Q62.6Low79.8Confident175 Ų17545.6 Ų45.682%0.81824%0.244SC*.SBendtrans74.7-35.5175.1-55.4179.5-11.200116.7C458C458-Q463 PolarHBondContact O-N 3.27Å
464V62.5Low79.6Confident103 Ų10346.1 Ų46.162%0.62425%0.247SC*.SBendtrans-110.3119.4177.2-176.60000109.7S461 G462 S466 L499S461-V464 WeakPolarHBondContact CB-O 3.48Å; S461-V464 PolarHBondContact OG-O 2.74Å; S461-V464 VanDerWaalsContact OG-O 3.07Å; G462-V464 VanDerWaalsContact C-N 3.26Å; G462-V464 PolarHBondContact O-N 2.97Å; G462-V464 VanDerWaalsContact O-N 3.08Å; V464-S466 PolarHBondContact O-N 3.27Å; V464-L499 HydrophobicContact CG1-CD2 4.49Å
465P68.7Low79.5Confident10 Ų1043.6 Ų43.67%0.06524%0.238CC..  trans-56.8135.8176.4-20.229000111.1Y454 S461 W469 L499Y454-P465 HydrophobicContact CD2-CG 4.4Å; Y454-P465 HydrophobicContact CE2-CG 3.7Å; S461-P465 WeakPolarHBondContact OG-CA 3.47Å; P465-W469 HydrophobicContact CB-CB 3.79Å; P465-W469 HydrophobicContact CB-CG 4.27Å; P465-L499 HydrophobicContact CB-CD1 4.37Å; P465-L499 WeakPolarHBondContact O-CD2 3.5Å
466S73.8Confident79.5Confident34 Ų3438.6 Ų38.624%0.23821%0.214CC..  trans-58.4155.6169.860.50000111.1V464 F468 W469V464-S466 PolarHBondContact O-N 3.27Å; S466-F468 PolarHBondContact O-N 3.32Å; S466-W469 PolarHBondContact O-N 2.99Å
467P78.4Confident79.7Confident83 Ų8333.6 Ų33.654%0.53920%0.195SC..G310 helixtrans-51.8-24.2175.1-27.734.8000114.5W469 E470 V500P467-W469 PolarHBondContact O-N 3.23Å; P467-E470 WeakPolarHBondContact O-CB 3.41Å; P467-E470 PolarHBondContact O-N 2.88Å; P467-V500 HydrophobicContact CB-CG2 4.38Å
468F75.6Confident79.9Confident19 Ų1934.1 Ų34.18%0.08320%0.198CC..G310 helixtrans-59.7-27.2173175.3-117.5000114.6C271 F273 F428 S466 E470 P471C271-F468 HydrophobicContact CB-CD1 4.47Å; C271-F468 HydrophobicContact CB-CE1 4.45Å; F273-F468 HydrophobicContact CE2-CD1 4.23Å; F273-F468 HydrophobicContact CE2-CE1 4.45Å; F273-F468 HydrophobicContact CE2-CG 4.27Å; F428-F468 AromaticContact CE1-CE1 3.48Å; F428-F468 HydrophobicContact CE1-CE1 3.48Å; F428-F468 VanDerWaalsContact CE1-CE1 3.48Å; F428-F468 AromaticContact CE1-CZ 3.78Å; F428-F468 HydrophobicContact CE1-CZ 3.78Å; F428-F468 AromaticContact CZ-CE1 3.65Å; F428-F468 HydrophobicContact CZ-CE1 3.65Å; F428-F468 HydrophobicContact CZ-CZ 4.28Å; S466-F468 PolarHBondContact O-N 3.32Å; F468-E470 VanDerWaalsContact C-N 3.33Å; F468-P471 WeakPolarHBondContact O-CD 3.5Å
469W83.4Confident80Confident9 Ų933.1 Ų33.13%0.03419%0.191CC..G310 helixtrans-89.56.6179.6-65.7114.4000113.5P427 F428 A457 P465 S466 P467 P471 L472 V473P427-W469 HydrophobicContact CB-CH2 3.57Å; P427-W469 HydrophobicContact CB-CZ2 4.3Å; P427-W469 HydrophobicContact CB-CZ3 4.07Å; P427-W469 HydrophobicContact CG-CH2 3.81Å; P427-W469 HydrophobicContact CG-CZ2 4.15Å; F428-W469 AromaticContact CD1-CH2 3.82Å; F428-W469 HydrophobicContact CD1-CH2 3.82Å; F428-W469 AromaticContact CD1-CZ3 3.92Å; F428-W469 HydrophobicContact CD1-CZ3 3.92Å; F428-W469 HydrophobicContact CD2-CH2 4.07Å; F428-W469 HydrophobicContact CE1-CE3 4.39Å; F428-W469 AromaticContact CE1-CH2 3.17Å; F428-W469 HydrophobicContact CE1-CH2 3.17Å; F428-W469 AromaticContact CE1-CZ2 3.9Å; F428-W469 HydrophobicContact CE1-CZ2 3.9Å; F428-W469 AromaticContact CE1-CZ3 3.45Å; F428-W469 HydrophobicContact CE1-CZ3 3.45Å; F428-W469 VanDerWaalsContact CE1-CZ3 3.45Å; F428-W469 AromaticContact CE2-CH2 3.49Å; F428-W469 HydrophobicContact CE2-CH2 3.49Å; F428-W469 VanDerWaalsContact CE2-CH2 3.49Å; F428-W469 AromaticContact CE2-CZ2 3.94Å; F428-W469 HydrophobicContact CE2-CZ2 3.94Å; F428-W469 HydrophobicContact CG-CH2 4.22Å; F428-W469 AromaticContact CZ-CH2 2.97Å; F428-W469 HydrophobicContact CZ-CH2 2.97Å; F428-W469 AromaticContact CZ-CZ2 3.34Å; F428-W469 HydrophobicContact CZ-CZ2 3.34Å; F428-W469 AromaticContact CZ-CZ3 3.79Å; F428-W469 HydrophobicContact CZ-CZ3 3.79Å; A457-W469 HydrophobicContact CB-CD2 3.76Å; A457-W469 HydrophobicContact CB-CE3 4.2Å; A457-W469 HydrophobicContact CB-CG 4.04Å; A457-W469 HydrophobicContact CB-CH2 4.46Å; A457-W469 HydrophobicContact CB-CZ2 4.1Å; P465-W469 HydrophobicContact CB-CB 3.79Å; P465-W469 HydrophobicContact CB-CG 4.27Å; S466-W469 PolarHBondContact O-N 2.99Å; P467-W469 PolarHBondContact O-N 3.23Å; W469-P471 VanDerWaalsContact C-N 3.29Å; W469-L472 HydrophobicContact CD2-CD2 4.47Å; W469-L472 HydrophobicContact CE3-CB 4.21Å; W469-L472 HydrophobicContact CE3-CD2 3.74Å; W469-L472 HydrophobicContact CZ3-CD2 4.18Å; W469-L472 WeakPolarHBondContact O-CB 3.01Å; W469-L472 PolarHBondContact O-N 3.43Å; W469-L472 VanDerWaalsContact O-N 3.12Å; W469-V473 PolarHBondContact O-N 3.13Å
470E84.9Confident80.5Confident7 Ų729.7 Ų29.73%0.03317%0.174CC..Hα-helixtrans-50-42174.7-174.8-94.9-163.600113.6P467 F468 L472 V473 N474 A496 L499 V500 S503 T506P467-E470 WeakPolarHBondContact O-CB 3.41Å; P467-E470 PolarHBondContact O-N 2.88Å; F468-E470 VanDerWaalsContact C-N 3.33Å; E470-L472 VanDerWaalsContact C-N 3.32Å; E470-L472 PolarHBondContact O-N 3.26Å; E470-V473 PolarHBondContact O-N 3.47Å; E470-N474 PolarHBondContact O-N 3.04Å; E470-N474 PolarHBondContact OE1-ND2 3.47Å; E470-N474 PolarHBondContact OE2-ND2 3.16Å; E470-A496 HydrophobicContact CG-CB 4.18Å; E470-L499 HydrophobicContact CB-CB 4.42Å; E470-L499 HydrophobicContact CB-CD1 4.49Å; E470-V500 HydrophobicContact CB-CG2 3.9Å; E470-V500 HydrophobicContact CG-CB 4.15Å; E470-V500 HydrophobicContact CG-CG2 3.85Å; E470-S503 WeakPolarHBondContact OE1-CB 3.4Å; E470-S503 PolarHBondContact OE1-OG 3.33Å; E470-T506 PolarHBondContact OE1-OG1 3.48Å; E470-T506 VanDerWaalsContact OE1-OG1 3.1Å
471P84Confident81.1Confident5 Ų529.4 Ų29.43%0.03217%0.171CC..Hα-helixtrans-65.2-35.5179.9-22.535000112.7F468 W469 N474 N475 P591F468-P471 WeakPolarHBondContact O-CD 3.5Å; W469-P471 VanDerWaalsContact C-N 3.29Å; P471-N474 PolarHBondContact O-N 3.37Å; P471-N475 WeakPolarHBondContact O-CB 3.32Å; P471-N475 VanDerWaalsContact O-CG 3.23Å; P471-N475 PolarHBondContact O-N 3.24Å; P471-P591 HydrophobicContact CG-CB 4.07Å; P471-P591 VanDerWaalsContact CG-CD 3.48Å; P471-P591 HydrophobicContact CG-CG 3.75Å
472L87.4Confident82.1Confident2 Ų230.4 Ų30.41%0.0117%0.171CC..Hα-helixtrans-63.3-44175.3170.663.7000111.5H431 L450 A453 A457 W469 E470 N475 L476H431-L472 HydrophobicContact CB-CD1 4.29Å; H431-L472 VanDerWaalsContact CE1-CA 3.49Å; H431-L472 WeakPolarHBondContact CE1-CA 3.5Å; H431-L472 VanDerWaalsContact ND1-CD1 3.3Å; H431-L472 WeakPolarHBondContact ND1-CD1 3.26Å; L450-L472 HydrophobicContact CD2-CD1 3.76Å; A453-L472 HydrophobicContact CB-CD1 3.69Å; A453-L472 HydrophobicContact CB-CD2 4.07Å; A457-L472 HydrophobicContact CB-CD2 4.08Å; W469-L472 HydrophobicContact CD2-CD2 4.47Å; W469-L472 HydrophobicContact CE3-CB 4.21Å; W469-L472 HydrophobicContact CE3-CD2 3.74Å; W469-L472 HydrophobicContact CZ3-CD2 4.18Å; W469-L472 WeakPolarHBondContact O-CB 3.01Å; W469-L472 PolarHBondContact O-N 3.43Å; W469-L472 VanDerWaalsContact O-N 3.12Å; E470-L472 VanDerWaalsContact C-N 3.32Å; E470-L472 PolarHBondContact O-N 3.26Å; L472-N475 PolarHBondContact O-N 3.06Å; L472-L476 WeakPolarHBondContact O-CB 3.27Å; L472-L476 PolarHBondContact O-N 3.1Å
473V89.8Confident83.4Confident1 Ų131.9 Ų31.91%0.00617%0.166CC..Hα-helixtrans-65.1-41.6178.2179.90000110.8Y454 W469 E470 L476 A477 M492 L495 A496 L499Y454-V473 HydrophobicContact CD2-CG2 4.11Å; Y454-V473 HydrophobicContact CE2-CG2 3.94Å; W469-V473 PolarHBondContact O-N 3.13Å; E470-V473 PolarHBondContact O-N 3.47Å; V473-L476 PolarHBondContact O-N 2.92Å; V473-A477 WeakPolarHBondContact O-CB 3.27Å; V473-A477 PolarHBondContact O-N 2.79Å; V473-M492 HydrophobicContact CG1-CB 4.4Å; V473-M492 HydrophobicContact CG1-CE 3.95Å; V473-M492 WeakPolarHBondContact CG1-O 3.44Å; V473-L495 HydrophobicContact CG1-CB 4.23Å; V473-A496 HydrophobicContact CB-CB 4.32Å; V473-A496 HydrophobicContact CG1-CB 3.92Å; V473-L499 HydrophobicContact CG2-CD1 4.01Å
474N87.8Confident84.6Confident11 Ų1125.2 Ų25.26%0.05914%0.144CC..Hα-helixtrans-65.8-43.9175.8-84-29.4000113.1E470 P471 L476 A477 H478 H493 A496 T506E470-N474 PolarHBondContact O-N 3.04Å; E470-N474 PolarHBondContact OE1-ND2 3.47Å; E470-N474 PolarHBondContact OE2-ND2 3.16Å; P471-N474 PolarHBondContact O-N 3.37Å; N474-L476 VanDerWaalsContact C-N 3.3Å; N474-L476 PolarHBondContact O-N 3.44Å; N474-A477 WeakPolarHBondContact O-CB 3.43Å; N474-A477 PolarHBondContact O-N 3.34Å; N474-A477 VanDerWaalsContact O-N 3.16Å; N474-H478 PolarHBondContact O-CD2 3.28Å; N474-H478 PolarHBondContact O-N 3.49Å; N474-H493 PolarHBondContact OD1-ND1 3.2Å; N474-A496 VanDerWaalsContact OD1-CB 3.23Å; N474-A496 WeakPolarHBondContact OD1-CB 3.43Å; N474-T506 PolarHBondContact ND2-OG1 3.43Å; N474-T506 PolarHBondContact OD1-OG1 3.21Å
475N88.1Confident86.1Confident3 Ų323.5 Ų23.52%0.01613%0.131CC..Hα-helixtrans-63-39.3177.2-74.2-4000111.2H431 T435 L450 P471 L472 H478 S479 M582 T583H431-N475 PolarHBondContact CE1-ND2 2.71Å; H431-N475 PolarHBondContact NE2-ND2 2.66Å; T435-N475 VanDerWaalsContact CG2-ND2 3.29Å; T435-N475 WeakPolarHBondContact CG2-ND2 3.49Å; L450-N475 HydrophobicContact CD1-CB 4.38Å; L450-N475 HydrophobicContact CD2-CB 4.2Å; P471-N475 WeakPolarHBondContact O-CB 3.32Å; P471-N475 VanDerWaalsContact O-CG 3.23Å; P471-N475 PolarHBondContact O-N 3.24Å; L472-N475 PolarHBondContact O-N 3.06Å; N475-H478 PolarHBondContact O-N 3.24Å; N475-S479 PolarHBondContact O-N 3.46Å; N475-M582 HydrophobicContact CB-SD 4.34Å; N475-M582 PolarHBondContact OD1-SD 3.27Å; N475-M582 VanDerWaalsContact OD1-SD 3.37Å; N475-T583 PolarHBondContact ND2-O 2.78Å; N475-T583 VanDerWaalsContact ND2-O 3.16Å
476L91.2Very high87.3Confident2 Ų227 Ų271%0.0114%0.143CC..Hα-helixtrans-63.2-44.1173.4-173.1160.1000111L450 V451 Y454 L472 V473 N474 H478 S479 Y480 M492L450-L476 HydrophobicContact CB-CB 4.17Å; L450-L476 HydrophobicContact CB-CD1 4.38Å; L450-L476 HydrophobicContact CB-CG 4.31Å; V451-L476 HydrophobicContact CG2-CD1 4.05Å; Y454-L476 HydrophobicContact CG-CD1 4.39Å; L472-L476 WeakPolarHBondContact O-CB 3.27Å; L472-L476 PolarHBondContact O-N 3.1Å; V473-L476 PolarHBondContact O-N 2.92Å; N474-L476 VanDerWaalsContact C-N 3.3Å; N474-L476 PolarHBondContact O-N 3.44Å; L476-H478 VanDerWaalsContact C-N 3.35Å; L476-H478 PolarHBondContact O-N 3.31Å; L476-S479 PolarHBondContact O-N 3.15Å; L476-S479 VanDerWaalsContact O-N 3.16Å; L476-S479 PolarHBondContact O-OG 3.12Å; L476-Y480 HydrophobicContact CD2-CD2 3.52Å; L476-Y480 HydrophobicContact CD2-CE2 3.12Å; L476-Y480 HydrophobicContact CG-CE2 4.29Å; L476-Y480 PolarHBondContact O-N 2.98Å; L476-M492 HydrophobicContact CD1-CE 4.02Å; L476-M492 HydrophobicContact CD2-CB 4.27Å; L476-M492 HydrophobicContact CD2-CE 3.52Å; L476-M492 HydrophobicContact CD2-CG 3.59Å; L476-M492 HydrophobicContact CD2-SD 4.13Å; L476-M492 HydrophobicContact CG-CE 4.29Å
477A90.3Very high88.2Confident0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-62-39.917600000112.9V473 N474 S479 Y480 R481 A489 M492 H493V473-A477 WeakPolarHBondContact O-CB 3.27Å; V473-A477 PolarHBondContact O-N 2.79Å; N474-A477 WeakPolarHBondContact O-CB 3.43Å; N474-A477 PolarHBondContact O-N 3.34Å; N474-A477 VanDerWaalsContact O-N 3.16Å; A477-S479 PolarHBondContact O-N 3.36Å; A477-Y480 PolarHBondContact O-N 2.95Å; A477-R481 PolarHBondContact O-N 3.32Å; A477-A489 WeakPolarHBondContact O-CB 3.39Å; A477-M492 HydrophobicContact CB-CB 3.67Å; A477-H493 WeakPolarHBondContact CB-CD2 3.5Å; A477-H493 VanDerWaalsContact CB-CE1 3.46Å; A477-H493 WeakPolarHBondContact CB-CE1 3.4Å; A477-H493 VanDerWaalsContact CB-NE2 3.28Å; A477-H493 WeakPolarHBondContact CB-NE2 3.42Å
478H88Confident88.9Confident11 Ų1129.9 Ų29.95%0.05116%0.156CC..Hα-helixtrans-64.3-37173.3-77.9-46.6000113.4N474 N475 L476 R481 K482 C509 M582N474-H478 PolarHBondContact O-CD2 3.28Å; N474-H478 PolarHBondContact O-N 3.49Å; N475-H478 PolarHBondContact O-N 3.24Å; L476-H478 VanDerWaalsContact C-N 3.35Å; L476-H478 PolarHBondContact O-N 3.31Å; H478-R481 WeakPolarHBondContact O-CB 3.25Å; H478-R481 PolarHBondContact O-N 3.3Å; H478-K482 PolarHBondContact O-N 2.81Å; H478-K482 VanDerWaalsContact O-N 3.09Å; H478-C509 PolarHBondContact CE1-SG 2.95Å; H478-M582 HydrophobicContact CB-CE 3.27Å; H478-M582 HydrophobicContact CB-SD 3.77Å; H478-M582 VanDerWaalsContact CD2-SD 3.58Å
479S90.1Very high89.8Confident0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-65-40.8174.672.80000111.9T447 N475 L476 A477 K482 M483T447-S479 WeakPolarHBondContact CG2-OG 3.3Å; N475-S479 PolarHBondContact O-N 3.46Å; L476-S479 PolarHBondContact O-N 3.15Å; L476-S479 VanDerWaalsContact O-N 3.16Å; L476-S479 PolarHBondContact O-OG 3.12Å; A477-S479 PolarHBondContact O-N 3.36Å; S479-K482 PolarHBondContact O-N 3.12Å; S479-M483 WeakPolarHBondContact O-CG 3.41Å; S479-M483 PolarHBondContact O-N 2.81Å; S479-M483 VanDerWaalsContact O-N 3.09Å
480Y93.9Very high90.3Very high42 Ų4229.5 Ų29.517%0.16516%0.155CC..Hα-helixtrans-64.4-39.3171.9-73.9-35.9000113.3T447 L476 A477 K482 M483 G484 L485 Q488 M492T447-Y480 HydrophobicContact CG2-CD1 4.03Å; T447-Y480 HydrophobicContact CG2-CE1 4.13Å; L476-Y480 HydrophobicContact CD2-CD2 3.52Å; L476-Y480 HydrophobicContact CD2-CE2 3.12Å; L476-Y480 HydrophobicContact CG-CE2 4.29Å; L476-Y480 PolarHBondContact O-N 2.98Å; A477-Y480 PolarHBondContact O-N 2.95Å; Y480-K482 VanDerWaalsContact C-N 3.34Å; Y480-K482 PolarHBondContact O-N 3.22Å; Y480-M483 CarbonylContact O-C 3.59Å; Y480-M483 PolarHBondContact O-N 3.34Å; Y480-G484 PolarHBondContact O-N 3.31Å; Y480-G484 VanDerWaalsContact O-N 3.17Å; Y480-L485 HydrophobicContact CD1-CB 4.38Å; Y480-L485 HydrophobicContact CD1-CD1 3.95Å; Y480-L485 HydrophobicContact CE1-CD1 4.38Å; Y480-L485 PolarHBondContact O-N 3.08Å; Y480-Q488 HydrophobicContact CD2-CB 3.77Å; Y480-Q488 HydrophobicContact CE2-CB 4.02Å; Y480-Q488 HydrophobicContact CG-CB 4.13Å; Y480-M492 HydrophobicContact CD2-CG 4.12Å; Y480-M492 HydrophobicContact CE2-CG 3.99Å
481R89.7Confident90.7Very high19 Ų1931.3 Ų31.37%0.07217%0.172CC..Hα-helixtrans-57.2-46.8174.9-179.6-176.86987.3-8.1111.3A477 H478 M483 G484 Y486 A489 L513 D575A477-R481 PolarHBondContact O-N 3.32Å; H478-R481 WeakPolarHBondContact O-CB 3.25Å; H478-R481 PolarHBondContact O-N 3.3Å; R481-M483 VanDerWaalsContact C-N 3.31Å; R481-M483 PolarHBondContact O-N 3.45Å; R481-G484 PolarHBondContact O-N 2.93Å; R481-G484 VanDerWaalsContact O-N 3.13Å; R481-Y486 HydrophobicContact CG-CE1 4.37Å; R481-A489 HydrophobicContact CB-CB 4.31Å; R481-L513 HydrophobicContact CB-CD2 3.99Å; R481-L513 HydrophobicContact CG-CD2 3.61Å; R481-D575 IonicContact NH1-OD1 3.92Å
482K89.6Confident91.2Very high55 Ų5532.1 Ų32.124%0.23918%0.175CC..Hα-helixtrans-70.7-24.3178.7-73.8-62.9-174.2-174.40113.5F438 Y443 H478 S479 Y480 G484 D575F438-K482 HydrophobicContact CE2-CB 4.15Å; F438-K482 HydrophobicContact CE2-CG 3.75Å; F438-K482 HydrophobicContact CZ-CG 3.7Å; Y443-K482 HydrophobicContact CD1-CB 3.8Å; Y443-K482 HydrophobicContact CD1-CG 4.3Å; Y443-K482 HydrophobicContact CD2-CB 4.13Å; Y443-K482 HydrophobicContact CE1-CB 3.87Å; Y443-K482 HydrophobicContact CE1-CG 3.9Å; Y443-K482 HydrophobicContact CE2-CB 4.18Å; Y443-K482 HydrophobicContact CG-CB 3.95Å; H478-K482 PolarHBondContact O-N 2.81Å; H478-K482 VanDerWaalsContact O-N 3.09Å; S479-K482 PolarHBondContact O-N 3.12Å; Y480-K482 VanDerWaalsContact C-N 3.34Å; Y480-K482 PolarHBondContact O-N 3.22Å; K482-G484 VanDerWaalsContact C-N 3.28Å; K482-D575 VanDerWaalsContact NZ-CG 3.34Å; K482-D575 PolarHBondContact NZ-O 2.92Å; K482-D575 VanDerWaalsContact NZ-O 3.13Å; K482-D575 IonicContact NZ-OD1 3.4Å; K482-D575 PolarHBondContact NZ-OD1 3.36Å; K482-D575 IonicContact NZ-OD2 2.62Å
483M90.8Very high91.4Very high78 Ų7832 Ų3238%0.38418%0.175SC..THydrogen-bonded Turntrans-79-5.3170.1-71.7-173.763.100114.2V444 T447 S479 Y480 R481 L485V444-M483 HydrophobicContact CG2-CE 4.39Å; T447-M483 HydrophobicContact CG2-CG 4.48Å; T447-M483 HydrophobicContact CG2-SD 3.38Å; T447-M483 WeakPolarHBondContact CG2-SD 3.48Å; T447-M483 PolarHBondContact OG1-SD 3.44Å; S479-M483 WeakPolarHBondContact O-CG 3.41Å; S479-M483 PolarHBondContact O-N 2.81Å; S479-M483 VanDerWaalsContact O-N 3.09Å; Y480-M483 CarbonylContact O-C 3.59Å; Y480-M483 PolarHBondContact O-N 3.34Å; R481-M483 VanDerWaalsContact C-N 3.31Å; R481-M483 PolarHBondContact O-N 3.45Å; M483-L485 VanDerWaalsContact C-N 3.32Å; M483-L485 HydrophobicContact CB-CD1 4.27Å; M483-L485 HydrophobicContact CB-CG 4.35Å; M483-L485 HydrophobicContact CE-CD1 4.29Å
484G89.7Confident91.6Very high35 Ų3535.5 Ų35.536%0.36119%0.191SC..THydrogen-bonded Turntrans80.19.1-176.700000114.6Y480 R481 K482 Y486Y480-G484 PolarHBondContact O-N 3.31Å; Y480-G484 VanDerWaalsContact O-N 3.17Å; R481-G484 PolarHBondContact O-N 2.93Å; R481-G484 VanDerWaalsContact O-N 3.13Å; K482-G484 VanDerWaalsContact C-N 3.28Å; G484-Y486 VanDerWaalsContact C-N 3.28Å; G484-Y486 WeakPolarHBondContact O-CD2 3.31Å; G484-Y486 PolarHBondContact O-N 3.17Å; G484-Y486 VanDerWaalsContact O-N 3.11Å
485L93Very high91.8Very high67 Ų6737.6 Ų37.635%0.35120%0.202SC..  trans-87.563.7178.9-63.4170.4000110.4Y480 M483 S487 Q488 A489Y480-L485 HydrophobicContact CD1-CB 4.38Å; Y480-L485 HydrophobicContact CD1-CD1 3.95Å; Y480-L485 HydrophobicContact CE1-CD1 4.38Å; Y480-L485 PolarHBondContact O-N 3.08Å; M483-L485 VanDerWaalsContact C-N 3.32Å; M483-L485 HydrophobicContact CB-CD1 4.27Å; M483-L485 HydrophobicContact CB-CG 4.35Å; M483-L485 HydrophobicContact CE-CD1 4.29Å; L485-S487 VanDerWaalsContact C-N 3.35Å; L485-S487 PolarHBondContact O-N 2.9Å; L485-Q488 HydrophobicContact CB-CB 4.43Å; L485-Q488 PolarHBondContact O-N 3.24Å; L485-A489 PolarHBondContact O-N 2.75Å
486Y92.9Very high91.8Very high83 Ų8337.5 Ų37.533%0.32520%0.201SC..Hα-helixtrans-63.2-34.7-170.8-55.4-60.9000114.1R481 G484 A489 I490 L513 I516R481-Y486 HydrophobicContact CG-CE1 4.37Å; G484-Y486 VanDerWaalsContact C-N 3.28Å; G484-Y486 WeakPolarHBondContact O-CD2 3.31Å; G484-Y486 PolarHBondContact O-N 3.17Å; G484-Y486 VanDerWaalsContact O-N 3.11Å; Y486-A489 PolarHBondContact O-N 3.25Å; Y486-I490 VanDerWaalsContact O-CG1 3.3Å; Y486-I490 WeakPolarHBondContact O-CG1 3.46Å; Y486-I490 PolarHBondContact O-N 3.41Å; Y486-L513 HydrophobicContact CD1-CD2 3.84Å; Y486-I516 HydrophobicContact CD1-CG2 4.26Å; Y486-I516 HydrophobicContact CD2-CG2 4.46Å; Y486-I516 HydrophobicContact CE1-CD1 4.36Å; Y486-I516 HydrophobicContact CE1-CG2 3.82Å; Y486-I516 HydrophobicContact CE2-CG2 4.04Å
487S93.6Very high91.8Very high92 Ų9239 Ų3964%0.64321%0.209SC*.Hα-helixtrans-63.4-42.6177.752.30000112.2L485 A491L485-S487 VanDerWaalsContact C-N 3.35Å; L485-S487 PolarHBondContact O-N 2.9Å; S487-A491 PolarHBondContact O-N 2.91Å; S487-A491 VanDerWaalsContact O-N 3.16Å
488Q93.5Very high91.8Very high86 Ų8647.7 Ų47.740%0.40224%0.242SC..Hα-helixtrans-70.3-39.2175.8-66.3179.4-14.100111.3Y480 L485 I490 A491 M492Y480-Q488 HydrophobicContact CD2-CB 3.77Å; Y480-Q488 HydrophobicContact CE2-CB 4.02Å; Y480-Q488 HydrophobicContact CG-CB 4.13Å; L485-Q488 HydrophobicContact CB-CB 4.43Å; L485-Q488 PolarHBondContact O-N 3.24Å; Q488-I490 VanDerWaalsContact C-N 3.35Å; Q488-I490 PolarHBondContact O-N 3.47Å; Q488-A491 PolarHBondContact O-N 3.49Å; Q488-M492 VanDerWaalsContact O-CG 3.31Å; Q488-M492 WeakPolarHBondContact O-CG 2.91Å; Q488-M492 PolarHBondContact O-N 3.41Å
489A93.2Very high91.7Very high0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-59.6-43.8175.500000112.1A477 R481 L485 Y486 M492 H493 L513A477-A489 WeakPolarHBondContact O-CB 3.39Å; R481-A489 HydrophobicContact CB-CB 4.31Å; L485-A489 PolarHBondContact O-N 2.75Å; Y486-A489 PolarHBondContact O-N 3.25Å; A489-M492 PolarHBondContact O-N 3Å; A489-H493 PolarHBondContact O-CD2 2.88Å; A489-H493 VanDerWaalsContact O-CD2 3.29Å; A489-H493 PolarHBondContact O-N 3.32Å; A489-L513 HydrophobicContact CB-CD1 3.71Å; A489-L513 HydrophobicContact CB-CD2 4.01Å
490I94.3Very high91.5Very high20 Ų2050.8 Ų50.810%0.10326%0.261CS..Hα-helixtrans-61.6-49.2175.8-69168.1000110.4Y486 Q488 M492 H493 E494 L510 L513 N517Y486-I490 VanDerWaalsContact O-CG1 3.3Å; Y486-I490 WeakPolarHBondContact O-CG1 3.46Å; Y486-I490 PolarHBondContact O-N 3.41Å; Q488-I490 VanDerWaalsContact C-N 3.35Å; Q488-I490 PolarHBondContact O-N 3.47Å; I490-M492 VanDerWaalsContact C-N 3.26Å; I490-M492 PolarHBondContact O-N 3.33Å; I490-H493 PolarHBondContact O-N 3.2Å; I490-E494 HydrophobicContact CG2-CG 4.3Å; I490-E494 WeakPolarHBondContact O-CG 3.34Å; I490-E494 PolarHBondContact O-N 3.44Å; I490-L510 HydrophobicContact CG2-CD2 4.28Å; I490-L513 HydrophobicContact CD1-CB 4.3Å; I490-L513 HydrophobicContact CG1-CB 3.79Å; I490-L513 HydrophobicContact CG1-CD1 3.91Å; I490-L513 HydrophobicContact CG1-CG 4.44Å; I490-N517 VanDerWaalsContact CD1-ND2 3.3Å; I490-N517 WeakPolarHBondContact CD1-ND2 3.44Å
491A94.8Very high91.1Very high45 Ų4553.2 Ų53.237%0.37228%0.281SS..Hα-helixtrans-57.1-39.8179.400000112.5S487 Q488 E494 L495S487-A491 PolarHBondContact O-N 2.91Å; S487-A491 VanDerWaalsContact O-N 3.16Å; Q488-A491 PolarHBondContact O-N 3.49Å; A491-E494 PolarHBondContact O-N 2.9Å; A491-L495 WeakPolarHBondContact O-CG 3.45Å; A491-L495 PolarHBondContact O-N 3.36Å
492M92.6Very high90.9Very high22 Ų2259.1 Ų59.111%0.10831%0.31CS..Hα-helixtrans-72.4-40.2178.9-65.5-58-68.800112.6Y454 V473 L476 A477 Y480 Q488 A489 I490 E494 L495 A496Y454-M492 HydrophobicContact CD2-CE 4.33Å; Y454-M492 HydrophobicContact CE2-CE 4.12Å; V473-M492 HydrophobicContact CG1-CB 4.4Å; V473-M492 HydrophobicContact CG1-CE 3.95Å; V473-M492 WeakPolarHBondContact CG1-O 3.44Å; L476-M492 HydrophobicContact CD1-CE 4.02Å; L476-M492 HydrophobicContact CD2-CB 4.27Å; L476-M492 HydrophobicContact CD2-CE 3.52Å; L476-M492 HydrophobicContact CD2-CG 3.59Å; L476-M492 HydrophobicContact CD2-SD 4.13Å; L476-M492 HydrophobicContact CG-CE 4.29Å; A477-M492 HydrophobicContact CB-CB 3.67Å; Y480-M492 HydrophobicContact CD2-CG 4.12Å; Y480-M492 HydrophobicContact CE2-CG 3.99Å; Q488-M492 VanDerWaalsContact O-CG 3.31Å; Q488-M492 WeakPolarHBondContact O-CG 2.91Å; Q488-M492 PolarHBondContact O-N 3.41Å; A489-M492 PolarHBondContact O-N 3Å; I490-M492 VanDerWaalsContact C-N 3.26Å; I490-M492 PolarHBondContact O-N 3.33Å; M492-E494 VanDerWaalsContact C-N 3.34Å; M492-L495 WeakPolarHBondContact O-CB 3.48Å; M492-L495 PolarHBondContact O-N 3.28Å; M492-L495 HydrophobicContact SD-CD1 3.85Å; M492-A496 PolarHBondContact O-N 3.07Å
493H92.3Very high90.5Very high0 Ų056.9 Ų56.90%030%0.301CS..Hα-helixtrans-68.3-32.3173.1-75.8-61.8000112.9N474 A477 A489 I490 L495 A496 L497 T506 C509 L510 L513N474-H493 PolarHBondContact OD1-ND1 3.2Å; A477-H493 WeakPolarHBondContact CB-CD2 3.5Å; A477-H493 VanDerWaalsContact CB-CE1 3.46Å; A477-H493 WeakPolarHBondContact CB-CE1 3.4Å; A477-H493 VanDerWaalsContact CB-NE2 3.28Å; A477-H493 WeakPolarHBondContact CB-NE2 3.42Å; A489-H493 PolarHBondContact O-CD2 2.88Å; A489-H493 VanDerWaalsContact O-CD2 3.29Å; A489-H493 PolarHBondContact O-N 3.32Å; I490-H493 PolarHBondContact O-N 3.2Å; H493-L495 VanDerWaalsContact C-N 3.3Å; H493-L495 PolarHBondContact O-N 2.81Å; H493-A496 WeakPolarHBondContact O-CB 3.21Å; H493-A496 PolarHBondContact O-N 3.34Å; H493-L497 WeakPolarHBondContact O-CB 3.34Å; H493-L497 PolarHBondContact O-N 3.14Å; H493-T506 HydrophobicContact CB-CG2 4.25Å; H493-T506 WeakPolarHBondContact O-CG2 3.32Å; H493-C509 VanDerWaalsContact CE1-CB 3.43Å; H493-C509 WeakPolarHBondContact CE1-CB 3.44Å; H493-L510 HydrophobicContact CB-CD1 4.46Å; H493-L510 HydrophobicContact CB-CD2 3.5Å; H493-L510 VanDerWaalsContact CB-CD2 3.5Å; H493-L510 HydrophobicContact CB-CG 3.73Å; H493-L513 VanDerWaalsContact CD2-CD1 3.42Å; H493-L513 WeakPolarHBondContact CD2-CD1 3.35Å
494E93.2Very high90.2Very high74 Ų7454 Ų5435%0.34629%0.288SS..Hα-helixtrans-63.1-38.2170.2-75.3-178.6-176.600111.5I490 A491 M492 L497 R498 L510I490-E494 HydrophobicContact CG2-CG 4.3Å; I490-E494 WeakPolarHBondContact O-CG 3.34Å; I490-E494 PolarHBondContact O-N 3.44Å; A491-E494 PolarHBondContact O-N 2.9Å; M492-E494 VanDerWaalsContact C-N 3.34Å; E494-L497 PolarHBondContact O-N 3.39Å; E494-R498 WeakPolarHBondContact O-CG 3.3Å; E494-R498 PolarHBondContact O-N 3.38Å; E494-R498 VanDerWaalsContact O-N 3.07Å; E494-R498 IonicContact OE2-NH2 2.81Å; E494-L510 HydrophobicContact CG-CD2 4.36Å
495L92Very high89.8Confident56 Ų5654.7 Ų54.729%0.29329%0.285SS..Hα-helixtrans-64.4-44.1171.6-70.8173.8000111.4V473 A491 M492 H493 L497 R498 L499V473-L495 HydrophobicContact CG1-CB 4.23Å; A491-L495 WeakPolarHBondContact O-CG 3.45Å; A491-L495 PolarHBondContact O-N 3.36Å; M492-L495 WeakPolarHBondContact O-CB 3.48Å; M492-L495 PolarHBondContact O-N 3.28Å; M492-L495 HydrophobicContact SD-CD1 3.85Å; H493-L495 VanDerWaalsContact C-N 3.3Å; H493-L495 PolarHBondContact O-N 2.81Å; L495-L497 VanDerWaalsContact C-N 3.27Å; L495-L497 PolarHBondContact O-N 3.45Å; L495-R498 WeakPolarHBondContact O-CB 3.45Å; L495-R498 PolarHBondContact O-N 3.45Å; L495-L499 WeakPolarHBondContact O-CG 3.45Å; L495-L499 PolarHBondContact O-N 3.35Å; L495-L499 VanDerWaalsContact O-N 3.1Å
496A88.9Confident89.4Confident0 Ų051.5 Ų51.50%027%0.269CS..Hα-helixtrans-57.9-40.9175.200000111.8E470 V473 N474 M492 H493 R498 L499 V500 T506E470-A496 HydrophobicContact CG-CB 4.18Å; V473-A496 HydrophobicContact CB-CB 4.32Å; V473-A496 HydrophobicContact CG1-CB 3.92Å; N474-A496 VanDerWaalsContact OD1-CB 3.23Å; N474-A496 WeakPolarHBondContact OD1-CB 3.43Å; M492-A496 PolarHBondContact O-N 3.07Å; H493-A496 WeakPolarHBondContact O-CB 3.21Å; H493-A496 PolarHBondContact O-N 3.34Å; A496-R498 VanDerWaalsContact C-N 3.33Å; A496-R498 PolarHBondContact O-N 3.1Å; A496-L499 WeakPolarHBondContact O-CB 3.33Å; A496-L499 PolarHBondContact O-N 3.39Å; A496-L499 VanDerWaalsContact O-N 3.11Å; A496-V500 PolarHBondContact O-N 3.19Å; A496-T506 HydrophobicContact CB-CG2 4.03Å
497L90.4Very high89.3Confident35 Ų3548.2 Ų48.218%0.18326%0.256CS..Hα-helixtrans-65.9-32.5175.7-173.764.5000112.7H493 E494 L495 L499 V500 P501 T506 F507 L510H493-L497 WeakPolarHBondContact O-CB 3.34Å; H493-L497 PolarHBondContact O-N 3.14Å; E494-L497 PolarHBondContact O-N 3.39Å; L495-L497 VanDerWaalsContact C-N 3.27Å; L495-L497 PolarHBondContact O-N 3.45Å; L497-L499 VanDerWaalsContact C-N 3.3Å; L497-V500 CarbonylContact O-C 3.6Å; L497-V500 VanDerWaalsContact O-C 3.24Å; L497-P501 WeakPolarHBondContact CD1-O 3.42Å; L497-P501 VanDerWaalsContact O-CA 3.25Å; L497-P501 WeakPolarHBondContact O-CA 3.44Å; L497-T506 HydrophobicContact CB-CG2 4.15Å; L497-F507 HydrophobicContact CD1-CD1 4.13Å; L497-F507 HydrophobicContact CD1-CE1 3.46Å; L497-F507 VanDerWaalsContact CD1-CE1 3.46Å; L497-F507 HydrophobicContact CD1-CE2 4.29Å; L497-F507 HydrophobicContact CD1-CZ 3.55Å; L497-F507 HydrophobicContact CD2-CD1 4.45Å; L497-F507 HydrophobicContact CD2-CE1 3.81Å; L497-F507 HydrophobicContact CG-CE1 4.3Å; L497-L510 HydrophobicContact CD2-CD1 4.21Å
498R91.3Very high89Confident181 Ų18144.7 Ų44.768%0.68323%0.232SC*.Hα-helixtrans-69.2-29.6172.5-68.9174.8-163160.88.8112.4E494 L495 A496E494-R498 WeakPolarHBondContact O-CG 3.3Å; E494-R498 PolarHBondContact O-N 3.38Å; E494-R498 VanDerWaalsContact O-N 3.07Å; E494-R498 IonicContact OE2-NH2 2.81Å; L495-R498 WeakPolarHBondContact O-CB 3.45Å; L495-R498 PolarHBondContact O-N 3.45Å; A496-R498 VanDerWaalsContact C-N 3.33Å; A496-R498 PolarHBondContact O-N 3.1Å
499L85.9Confident88.7Confident30 Ų3041 Ų4116%0.15722%0.216CC..Hα-helixtrans-74.6-47.1176-63.9-179.6000111.4V464 P465 E470 V473 L495 A496 L497V464-L499 HydrophobicContact CG1-CD2 4.49Å; P465-L499 HydrophobicContact CB-CD1 4.37Å; P465-L499 WeakPolarHBondContact O-CD2 3.5Å; E470-L499 HydrophobicContact CB-CB 4.42Å; E470-L499 HydrophobicContact CB-CD1 4.49Å; V473-L499 HydrophobicContact CG2-CD1 4.01Å; L495-L499 WeakPolarHBondContact O-CG 3.45Å; L495-L499 PolarHBondContact O-N 3.35Å; L495-L499 VanDerWaalsContact O-N 3.1Å; A496-L499 WeakPolarHBondContact O-CB 3.33Å; A496-L499 PolarHBondContact O-N 3.39Å; A496-L499 VanDerWaalsContact O-N 3.11Å; L497-L499 VanDerWaalsContact C-N 3.3Å
500V85.2Confident88.6Confident47 Ų4741 Ų4129%0.28522%0.216SC..SBendtrans-128.6101177.9-178.10000109.3P467 E470 A496 L497 E502P467-V500 HydrophobicContact CB-CG2 4.38Å; E470-V500 HydrophobicContact CB-CG2 3.9Å; E470-V500 HydrophobicContact CG-CB 4.15Å; E470-V500 HydrophobicContact CG-CG2 3.85Å; A496-V500 PolarHBondContact O-N 3.19Å; L497-V500 CarbonylContact O-C 3.6Å; L497-V500 VanDerWaalsContact O-C 3.24Å; V500-E502 PolarHBondContact O-N 3.42Å; V500-E502 VanDerWaalsContact O-N 3.16Å
501P86.7Confident88.4Confident93 Ų9340.1 Ų40.160%0.60421%0.212SC*.THydrogen-bonded Turntrans-69.2-14-17025.2-33.6000115.1L497 F507L497-P501 WeakPolarHBondContact CD1-O 3.42Å; L497-P501 VanDerWaalsContact O-CA 3.25Å; L497-P501 WeakPolarHBondContact O-CA 3.44Å; P501-F507 WeakPolarHBondContact O-CZ 3.16Å
502E84.3Confident88Confident142 Ų14238.5 Ų38.566%0.66420%0.197SC*.THydrogen-bonded Turntrans-123.729.3-174.4-61.1-174.4162.500112.3V500 P504V500-E502 PolarHBondContact O-N 3.42Å; V500-E502 VanDerWaalsContact O-N 3.16Å; E502-P504 WeakPolarHBondContact O-CD 3.05Å
503S82.2Confident87.9Confident9 Ų937.5 Ų37.56%0.06319%0.191CC..  trans-76.7108.6179.1-178.10000110.8E470 T505 T506 F507E470-S503 WeakPolarHBondContact OE1-CB 3.4Å; E470-S503 PolarHBondContact OE1-OG 3.33Å; S503-T505 VanDerWaalsContact C-N 3.32Å; S503-T505 PolarHBondContact O-N 2.99Å; S503-T505 PolarHBondContact OG-OG1 3.12Å; S503-T505 VanDerWaalsContact OG-OG1 3.12Å; S503-T506 WeakPolarHBondContact CB-OG1 3.45Å; S503-T506 PolarHBondContact O-N 3.25Å; S503-T506 PolarHBondContact OG-OG1 2.88Å; S503-F507 VanDerWaalsContact O-CD2 3.28Å; S503-F507 WeakPolarHBondContact O-CD2 3.23Å; S503-F507 PolarHBondContact O-N 3.4Å; S503-F507 VanDerWaalsContact O-N 3.16Å
504P84.2Confident87.8Confident16 Ų1638.5 Ų38.510%0.10420%0.196CC..Hα-helixtrans-66.4-35.6-17726.9-33.5000111.6E502 F507 A508 S530 V533 Q534E502-P504 WeakPolarHBondContact O-CD 3.05Å; P504-F507 PolarHBondContact O-N 3.33Å; P504-A508 PolarHBondContact O-N 3.18Å; P504-S530 PolarHBondContact O-OG 3.5Å; P504-V533 HydrophobicContact CB-CB 4.35Å; P504-V533 HydrophobicContact CB-CG1 4.21Å; P504-V533 HydrophobicContact CG-CG1 4.35Å; P504-Q534 HydrophobicContact CB-CB 4.28Å; P504-Q534 HydrophobicContact CB-CG 3.92Å; P504-Q534 HydrophobicContact CG-CG 3.76Å
505T80.5Confident87.6Confident50 Ų5035 Ų3531%0.30718%0.18SC..Hα-helixtrans-61.5-45.8175.4490000110.7S503 F507 A508 C509S503-T505 VanDerWaalsContact C-N 3.32Å; S503-T505 PolarHBondContact O-N 2.99Å; S503-T505 PolarHBondContact OG-OG1 3.12Å; S503-T505 VanDerWaalsContact OG-OG1 3.12Å; T505-F507 PolarHBondContact O-N 2.96Å; T505-A508 PolarHBondContact O-N 2.99Å; T505-C509 PolarHBondContact O-N 3.29Å; T505-C509 PolarHBondContact O-SG 3.49Å
506T86.3Confident87.4Confident0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-62.7-41.5178.6-55.80000112E470 N474 H493 A496 L497 S503 C509 L510E470-T506 PolarHBondContact OE1-OG1 3.48Å; E470-T506 VanDerWaalsContact OE1-OG1 3.1Å; N474-T506 PolarHBondContact ND2-OG1 3.43Å; N474-T506 PolarHBondContact OD1-OG1 3.21Å; H493-T506 HydrophobicContact CB-CG2 4.25Å; H493-T506 WeakPolarHBondContact O-CG2 3.32Å; A496-T506 HydrophobicContact CB-CG2 4.03Å; L497-T506 HydrophobicContact CB-CG2 4.15Å; S503-T506 WeakPolarHBondContact CB-OG1 3.45Å; S503-T506 PolarHBondContact O-N 3.25Å; S503-T506 PolarHBondContact OG-OG1 2.88Å; T506-C509 PolarHBondContact O-N 3.41Å; T506-L510 HydrophobicContact CG2-CD1 4.5Å; T506-L510 PolarHBondContact O-N 2.91Å
507F90.1Very high87.4Confident15 Ų1537.5 Ų37.57%0.06619%0.193CC..Hα-helixtrans-61.3-46174.7-72.6-51.1000112.7L497 P501 S503 P504 T505 C509 L510 A511 Y526 R529 V533L497-F507 HydrophobicContact CD1-CD1 4.13Å; L497-F507 HydrophobicContact CD1-CE1 3.46Å; L497-F507 VanDerWaalsContact CD1-CE1 3.46Å; L497-F507 HydrophobicContact CD1-CE2 4.29Å; L497-F507 HydrophobicContact CD1-CZ 3.55Å; L497-F507 HydrophobicContact CD2-CD1 4.45Å; L497-F507 HydrophobicContact CD2-CE1 3.81Å; L497-F507 HydrophobicContact CG-CE1 4.3Å; P501-F507 WeakPolarHBondContact O-CZ 3.16Å; S503-F507 VanDerWaalsContact O-CD2 3.28Å; S503-F507 WeakPolarHBondContact O-CD2 3.23Å; S503-F507 PolarHBondContact O-N 3.4Å; S503-F507 VanDerWaalsContact O-N 3.16Å; P504-F507 PolarHBondContact O-N 3.33Å; T505-F507 PolarHBondContact O-N 2.96Å; F507-C509 VanDerWaalsContact C-N 3.27Å; F507-C509 PolarHBondContact O-N 3.16Å; F507-L510 PolarHBondContact O-N 3.48Å; F507-A511 WeakPolarHBondContact O-CB 3.31Å; F507-A511 PolarHBondContact O-N 3.01Å; F507-Y526 AromaticContact CD1-CD1 3.76Å; F507-Y526 HydrophobicContact CD1-CD1 3.76Å; F507-Y526 HydrophobicContact CD1-CE1 4.28Å; F507-Y526 HydrophobicContact CE1-CD1 4.31Å; F507-Y526 HydrophobicContact CE1-CE1 4.49Å; F507-R529 HydrophobicContact CD1-CB 4.45Å; F507-R529 HydrophobicContact CD2-CB 4.41Å; F507-R529 HydrophobicContact CE2-CB 4.5Å; F507-R529 HydrophobicContact CG-CB 4.39Å; F507-V533 HydrophobicContact CE2-CG2 4.4Å
508A86.7Confident87.1Confident17 Ų1738.1 Ų38.114%0.1421%0.208CC..Hα-helixtrans-61.4-36.9176.200000112.1P504 T505 M512 A546P504-A508 PolarHBondContact O-N 3.18Å; T505-A508 PolarHBondContact O-N 2.99Å; A508-M512 PolarHBondContact O-N 3.48Å; A508-A546 HydrophobicContact CB-CB 4.36Å
509C86.8Confident87Confident10 Ų1033.6 Ų33.67%0.06820%0.198CC..Hα-helixtrans-69.3-43.4177.7-64.10000113H478 H493 T505 T506 F507 A511 M512 L513H478-C509 PolarHBondContact CE1-SG 2.95Å; H493-C509 VanDerWaalsContact CE1-CB 3.43Å; H493-C509 WeakPolarHBondContact CE1-CB 3.44Å; T505-C509 PolarHBondContact O-N 3.29Å; T505-C509 PolarHBondContact O-SG 3.49Å; T506-C509 PolarHBondContact O-N 3.41Å; F507-C509 VanDerWaalsContact C-N 3.27Å; F507-C509 PolarHBondContact O-N 3.16Å; C509-A511 VanDerWaalsContact C-N 3.33Å; C509-M512 WeakPolarHBondContact O-CB 3.17Å; C509-M512 PolarHBondContact O-N 3.3Å; C509-L513 WeakPolarHBondContact O-CG 3.44Å; C509-L513 PolarHBondContact O-N 3.08Å; C509-L513 VanDerWaalsContact O-N 3.09Å
510L91.3Very high87.2Confident0 Ų033.3 Ų33.30%020%0.196CC..Hα-helixtrans-60.7-44.8173.6-79172000111.1I490 H493 E494 L497 T506 F507 M512 L513 H514 Y526I490-L510 HydrophobicContact CG2-CD2 4.28Å; H493-L510 HydrophobicContact CB-CD1 4.46Å; H493-L510 HydrophobicContact CB-CD2 3.5Å; H493-L510 VanDerWaalsContact CB-CD2 3.5Å; H493-L510 HydrophobicContact CB-CG 3.73Å; E494-L510 HydrophobicContact CG-CD2 4.36Å; L497-L510 HydrophobicContact CD2-CD1 4.21Å; T506-L510 HydrophobicContact CG2-CD1 4.5Å; T506-L510 PolarHBondContact O-N 2.91Å; F507-L510 PolarHBondContact O-N 3.48Å; L510-M512 VanDerWaalsContact C-N 3.31Å; L510-M512 PolarHBondContact O-N 3.34Å; L510-L513 PolarHBondContact O-N 3.39Å; L510-H514 PolarHBondContact O-CD2 3.06Å; L510-H514 PolarHBondContact O-N 2.8Å; L510-Y526 HydrophobicContact CB-CD2 4.33Å; L510-Y526 HydrophobicContact CB-CE2 4.5Å; L510-Y526 HydrophobicContact CB-CG 4.38Å; L510-Y526 HydrophobicContact CD1-CE1 4.15Å
511A89.7Confident87.4Confident0 Ų038.2 Ų38.20%022%0.216CC..Hα-helixtrans-58.9-42.8176.200000112.6F507 C509 L513 H514 A515 A523 L527F507-A511 WeakPolarHBondContact O-CB 3.31Å; F507-A511 PolarHBondContact O-N 3.01Å; C509-A511 VanDerWaalsContact C-N 3.33Å; A511-L513 VanDerWaalsContact C-N 3.33Å; A511-L513 PolarHBondContact O-N 3.05Å; A511-H514 PolarHBondContact O-N 2.95Å; A511-A515 WeakPolarHBondContact O-CB 3.48Å; A511-A515 PolarHBondContact O-N 3.19Å; A511-A523 HydrophobicContact CB-CB 4.37Å; A511-A523 WeakPolarHBondContact CB-O 3.41Å; A511-A523 WeakPolarHBondContact O-CB 3.49Å; A511-L527 HydrophobicContact CB-CD1 4.1Å; A511-L527 HydrophobicContact CB-CD2 3.73Å; A511-L527 HydrophobicContact CB-CG 3.47Å; A511-L527 VanDerWaalsContact CB-CG 3.47Å
512M86.9Confident87.6Confident12 Ų1236.3 Ų36.36%0.05920%0.203CC..Hα-helixtrans-57.3-46.6175-178.7169.8-70.900111.8A508 C509 L510 A515 I516 M549 L577A508-M512 PolarHBondContact O-N 3.48Å; C509-M512 WeakPolarHBondContact O-CB 3.17Å; C509-M512 PolarHBondContact O-N 3.3Å; L510-M512 VanDerWaalsContact C-N 3.31Å; L510-M512 PolarHBondContact O-N 3.34Å; M512-A515 PolarHBondContact O-N 3.19Å; M512-I516 HydrophobicContact CG-CD1 3.96Å; M512-I516 VanDerWaalsContact O-CG1 3.28Å; M512-I516 WeakPolarHBondContact O-CG1 3.38Å; M512-I516 PolarHBondContact O-N 2.82Å; M512-M549 HydrophobicContact CB-CE 3.67Å; M512-M549 HydrophobicContact CE-CE 3.74Å; M512-M549 HydrophobicContact CE-SD 3.56Å; M512-M549 VanDerWaalsContact CE-SD 3.56Å; M512-M549 HydrophobicContact CG-CE 4.13Å; M512-L577 HydrophobicContact CE-CD1 3.42Å; M512-L577 VanDerWaalsContact CE-CD1 3.42Å; M512-L577 HydrophobicContact CE-CD2 3.78Å; M512-L577 HydrophobicContact CE-CG 3.52Å; M512-L577 HydrophobicContact SD-CD1 3.76Å; M512-L577 HydrophobicContact SD-CG 4.42Å
513L90.3Very high87.9Confident0 Ų029.6 Ų29.60%017%0.171CC..Hα-helixtrans-66.2-40.2179.8-70.5171.4000112.3R481 Y486 A489 I490 H493 C509 L510 A511 I516 N517R481-L513 HydrophobicContact CB-CD2 3.99Å; R481-L513 HydrophobicContact CG-CD2 3.61Å; Y486-L513 HydrophobicContact CD1-CD2 3.84Å; A489-L513 HydrophobicContact CB-CD1 3.71Å; A489-L513 HydrophobicContact CB-CD2 4.01Å; I490-L513 HydrophobicContact CD1-CB 4.3Å; I490-L513 HydrophobicContact CG1-CB 3.79Å; I490-L513 HydrophobicContact CG1-CD1 3.91Å; I490-L513 HydrophobicContact CG1-CG 4.44Å; H493-L513 VanDerWaalsContact CD2-CD1 3.42Å; H493-L513 WeakPolarHBondContact CD2-CD1 3.35Å; C509-L513 WeakPolarHBondContact O-CG 3.44Å; C509-L513 PolarHBondContact O-N 3.08Å; C509-L513 VanDerWaalsContact O-N 3.09Å; L510-L513 PolarHBondContact O-N 3.39Å; A511-L513 VanDerWaalsContact C-N 3.33Å; A511-L513 PolarHBondContact O-N 3.05Å; L513-I516 PolarHBondContact O-N 3.39Å; L513-N517 WeakPolarHBondContact O-CB 3.47Å; L513-N517 PolarHBondContact O-N 3.49Å
514H91.7Very high88.3Confident22 Ų2229.9 Ų29.910%0.10217%0.173CC..Hα-helixtrans-65.9-37.8174.6-78.1-66.4000112.4L510 A511 N517 G518 N519 V522 A523 Y526L510-H514 PolarHBondContact O-CD2 3.06Å; L510-H514 PolarHBondContact O-N 2.8Å; A511-H514 PolarHBondContact O-N 2.95Å; H514-N517 PolarHBondContact O-N 3.06Å; H514-G518 PolarHBondContact O-N 3.25Å; H514-G518 VanDerWaalsContact O-N 3.13Å; H514-N519 HydrophobicContact CB-CB 4.35Å; H514-N519 PolarHBondContact O-N 3.26Å; H514-V522 HydrophobicContact CB-CG1 4.46Å; H514-A523 HydrophobicContact CB-CB 4.08Å; H514-Y526 AromaticContact CD2-CD2 3.84Å; H514-Y526 AromaticContact CD2-CE2 3.65Å; H514-Y526 AromaticContact NE2-CE2 3.7Å
515A88.1Confident88.7Confident1 Ų133.7 Ų33.71%0.00819%0.192CC..Hα-helixtrans-64.3-41.9174.600000111.8A511 M512 N517 G518 L520 A523 I573A511-A515 WeakPolarHBondContact O-CB 3.48Å; A511-A515 PolarHBondContact O-N 3.19Å; M512-A515 PolarHBondContact O-N 3.19Å; A515-N517 VanDerWaalsContact C-N 3.33Å; A515-N517 PolarHBondContact O-N 3.32Å; A515-G518 PolarHBondContact O-N 3.3Å; A515-G518 VanDerWaalsContact O-N 3.11Å; A515-L520 HydrophobicContact CB-CD2 4.3Å; A515-A523 HydrophobicContact CB-CB 4.05Å; A515-I573 HydrophobicContact CB-CD1 3.88Å
516I87.9Confident89.2Confident34 Ų3433.2 Ų33.217%0.17419%0.185CC..Hα-helixtrans-63.1-39.4174.8-67.7164.5000111.2Y486 M512 L513 G518Y486-I516 HydrophobicContact CD1-CG2 4.26Å; Y486-I516 HydrophobicContact CD2-CG2 4.46Å; Y486-I516 HydrophobicContact CE1-CD1 4.36Å; Y486-I516 HydrophobicContact CE1-CG2 3.82Å; Y486-I516 HydrophobicContact CE2-CG2 4.04Å; M512-I516 HydrophobicContact CG-CD1 3.96Å; M512-I516 VanDerWaalsContact O-CG1 3.28Å; M512-I516 WeakPolarHBondContact O-CG1 3.38Å; M512-I516 PolarHBondContact O-N 2.82Å; L513-I516 PolarHBondContact O-N 3.39Å; I516-G518 PolarHBondContact O-N 2.96Å
517N88.3Confident89.3Confident74 Ų7433.2 Ų33.240%0.39619%0.185SC..THydrogen-bonded Turntrans-73.4-6.7176-76.2-8000113.9I490 L513 H514 A515I490-N517 VanDerWaalsContact CD1-ND2 3.3Å; I490-N517 WeakPolarHBondContact CD1-ND2 3.44Å; L513-N517 WeakPolarHBondContact O-CB 3.47Å; L513-N517 PolarHBondContact O-N 3.49Å; H514-N517 PolarHBondContact O-N 3.06Å; A515-N517 VanDerWaalsContact C-N 3.33Å; A515-N517 PolarHBondContact O-N 3.32Å
518G85Confident89.3Confident48 Ų4837.3 Ų37.350%0.49520%0.204SC..THydrogen-bonded Turntrans88.80.9179.800000115.2H514 A515 I516 L520H514-G518 PolarHBondContact O-N 3.25Å; H514-G518 VanDerWaalsContact O-N 3.13Å; A515-G518 PolarHBondContact O-N 3.3Å; A515-G518 VanDerWaalsContact O-N 3.11Å; I516-G518 PolarHBondContact O-N 2.96Å; G518-L520 VanDerWaalsContact C-N 3.29Å; G518-L520 PolarHBondContact O-N 3.11Å
519N89.7Confident89.4Confident86 Ų8643.2 Ų43.246%0.4622%0.222SC..  trans-85.769.5178.5-64.8-3.1000110.2H514 E521 V522 A523H514-N519 HydrophobicContact CB-CB 4.35Å; H514-N519 PolarHBondContact O-N 3.26Å; N519-E521 PolarHBondContact O-N 2.9Å; N519-V522 HydrophobicContact CB-CB 4.41Å; N519-V522 HydrophobicContact CB-CG2 4.5Å; N519-V522 PolarHBondContact O-N 3.38Å; N519-A523 PolarHBondContact O-N 2.95Å; N519-A523 VanDerWaalsContact O-N 3.12Å
520L88.4Confident89.4Confident24 Ų2443 Ų4313%0.12622%0.221CC..Hα-helixtrans-64.3-35.1-174.3-65.4176.8000113.5A515 G518 A523 V524 A556 L557 V569A515-L520 HydrophobicContact CB-CD2 4.3Å; G518-L520 VanDerWaalsContact C-N 3.29Å; G518-L520 PolarHBondContact O-N 3.11Å; L520-A523 WeakPolarHBondContact O-CB 3.39Å; L520-A523 PolarHBondContact O-N 3.43Å; L520-V524 WeakPolarHBondContact O-CG2 3.43Å; L520-V524 PolarHBondContact O-N 3.15Å; L520-A556 HydrophobicContact CD1-CB 3.91Å; L520-L557 HydrophobicContact CB-CD1 4.28Å; L520-L557 HydrophobicContact CB-CD2 3.65Å; L520-L557 HydrophobicContact CB-CG 3.88Å; L520-L557 HydrophobicContact CD1-CD2 4.2Å; L520-L557 HydrophobicContact CD1-CG 4.34Å; L520-V569 HydrophobicContact CD2-CG1 4.29Å
521E90.4Very high89.1Confident149 Ų14944.8 Ų44.870%0.69623%0.232SC*.Hα-helixtrans-60.2-49.9178.3-63.517917600111.3N519 A523 V524 D525 L557N519-E521 PolarHBondContact O-N 2.9Å; E521-A523 VanDerWaalsContact C-N 3.31Å; E521-A523 PolarHBondContact O-N 2.92Å; E521-V524 PolarHBondContact O-N 3.43Å; E521-D525 PolarHBondContact O-N 3.33Å; E521-D525 VanDerWaalsContact O-N 3.16Å; E521-L557 HydrophobicContact CG-CD2 4.28Å
522V91.6Very high88.9Confident54 Ų5447.8 Ų47.833%0.32726%0.263SS..Hα-helixtrans-64.3-37.3177.4179.90000111.2H514 N519 D525 Y526H514-V522 HydrophobicContact CB-CG1 4.46Å; N519-V522 HydrophobicContact CB-CB 4.41Å; N519-V522 HydrophobicContact CB-CG2 4.5Å; N519-V522 PolarHBondContact O-N 3.38Å; V522-D525 PolarHBondContact O-N 3.3Å; V522-Y526 HydrophobicContact CG1-CD2 3.74Å; V522-Y526 HydrophobicContact CG1-CE2 3.47Å; V522-Y526 VanDerWaalsContact CG1-CE2 3.47Å; V522-Y526 WeakPolarHBondContact O-CD2 3.46Å; V522-Y526 PolarHBondContact O-N 3.23Å; V522-Y526 VanDerWaalsContact O-N 3.15Å
523A90.1Very high88.8Confident0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-62.5-42.7176.800000112.1A511 H514 A515 N519 L520 E521 Y526 L527A511-A523 HydrophobicContact CB-CB 4.37Å; A511-A523 WeakPolarHBondContact CB-O 3.41Å; A511-A523 WeakPolarHBondContact O-CB 3.49Å; H514-A523 HydrophobicContact CB-CB 4.08Å; A515-A523 HydrophobicContact CB-CB 4.05Å; N519-A523 PolarHBondContact O-N 2.95Å; N519-A523 VanDerWaalsContact O-N 3.12Å; L520-A523 WeakPolarHBondContact O-CB 3.39Å; L520-A523 PolarHBondContact O-N 3.43Å; E521-A523 VanDerWaalsContact C-N 3.31Å; E521-A523 PolarHBondContact O-N 2.92Å; A523-Y526 PolarHBondContact O-N 3.41Å; A523-L527 VanDerWaalsContact O-CG 3.3Å; A523-L527 WeakPolarHBondContact O-CG 3.34Å; A523-L527 PolarHBondContact O-N 3.47Å
524V90.8Very high88Confident16 Ų1652.7 Ų52.710%0.09729%0.29CS..Hα-helixtrans-63.1-42.6177.1167.60000111.3L520 E521 Y526 L527 H528 L550 C553 I554 L557L520-V524 WeakPolarHBondContact O-CG2 3.43Å; L520-V524 PolarHBondContact O-N 3.15Å; E521-V524 PolarHBondContact O-N 3.43Å; V524-Y526 PolarHBondContact O-N 3.15Å; V524-L527 PolarHBondContact O-N 3.38Å; V524-H528 VanDerWaalsContact CG1-CD2 3.43Å; V524-H528 WeakPolarHBondContact CG1-CD2 3.46Å; V524-H528 PolarHBondContact O-CD2 3.16Å; V524-H528 PolarHBondContact O-N 3.49Å; V524-L550 HydrophobicContact CG1-CD1 4.02Å; V524-L550 HydrophobicContact CG2-CD1 4.45Å; V524-C553 HydrophobicContact CG2-CB 3.64Å; V524-I554 HydrophobicContact CG2-CG1 4.34Å; V524-L557 HydrophobicContact CG2-CD1 3.74Å
525D92.6Very high87.2Confident95 Ų9555.3 Ų55.351%0.50831%0.308SS..Hα-helixtrans-58.3-45.6175.9-76-10000112.2E521 V522 H528 R529E521-D525 PolarHBondContact O-N 3.33Å; E521-D525 VanDerWaalsContact O-N 3.16Å; V522-D525 PolarHBondContact O-N 3.3Å; D525-H528 PolarHBondContact O-N 3.46Å; D525-R529 WeakPolarHBondContact O-CG 3.08Å; D525-R529 PolarHBondContact O-N 3.27Å; D525-R529 VanDerWaalsContact O-N 3.1Å
526Y91.1Very high85.9Confident41 Ų4158.8 Ų58.816%0.16133%0.333CS..Hα-helixtrans-67.9-37.8177.2-77.9-59.9000112.9F507 L510 H514 V522 A523 V524 R529 S530F507-Y526 AromaticContact CD1-CD1 3.76Å; F507-Y526 HydrophobicContact CD1-CD1 3.76Å; F507-Y526 HydrophobicContact CD1-CE1 4.28Å; F507-Y526 HydrophobicContact CE1-CD1 4.31Å; F507-Y526 HydrophobicContact CE1-CE1 4.49Å; L510-Y526 HydrophobicContact CB-CD2 4.33Å; L510-Y526 HydrophobicContact CB-CE2 4.5Å; L510-Y526 HydrophobicContact CB-CG 4.38Å; L510-Y526 HydrophobicContact CD1-CE1 4.15Å; H514-Y526 AromaticContact CD2-CD2 3.84Å; H514-Y526 AromaticContact CD2-CE2 3.65Å; H514-Y526 AromaticContact NE2-CE2 3.7Å; V522-Y526 HydrophobicContact CG1-CD2 3.74Å; V522-Y526 HydrophobicContact CG1-CE2 3.47Å; V522-Y526 VanDerWaalsContact CG1-CE2 3.47Å; V522-Y526 WeakPolarHBondContact O-CD2 3.46Å; V522-Y526 PolarHBondContact O-N 3.23Å; V522-Y526 VanDerWaalsContact O-N 3.15Å; A523-Y526 PolarHBondContact O-N 3.41Å; V524-Y526 PolarHBondContact O-N 3.15Å; Y526-R529 PolarHBondContact O-N 3.49Å; Y526-S530 PolarHBondContact O-N 3.27Å
527L88.4Confident84.4Confident0 Ų062.9 Ų62.90%036%0.364CS..Hα-helixtrans-66.4-39.6175.6-71.3164.7000111.7A511 A523 V524 R529 S530 V531 A546 M549 L550A511-L527 HydrophobicContact CB-CD1 4.1Å; A511-L527 HydrophobicContact CB-CD2 3.73Å; A511-L527 HydrophobicContact CB-CG 3.47Å; A511-L527 VanDerWaalsContact CB-CG 3.47Å; A523-L527 VanDerWaalsContact O-CG 3.3Å; A523-L527 WeakPolarHBondContact O-CG 3.34Å; A523-L527 PolarHBondContact O-N 3.47Å; V524-L527 PolarHBondContact O-N 3.38Å; L527-R529 VanDerWaalsContact C-N 3.32Å; L527-R529 PolarHBondContact O-N 3.01Å; L527-S530 WeakPolarHBondContact O-CB 3.28Å; L527-S530 PolarHBondContact O-N 3.35Å; L527-V531 WeakPolarHBondContact O-CG2 3.4Å; L527-V531 PolarHBondContact O-N 3.02Å; L527-A546 HydrophobicContact CD2-CB 4.21Å; L527-M549 HydrophobicContact CD1-CB 4.07Å; L527-M549 HydrophobicContact CD2-CB 4.09Å; L527-L550 HydrophobicContact CB-CB 4.13Å; L527-L550 HydrophobicContact CB-CD1 3.79Å; L527-L550 HydrophobicContact CB-CG 4.46Å; L527-L550 HydrophobicContact CD1-CB 4.25Å; L527-L550 HydrophobicContact CD1-CD1 4.46Å
528H89.7Confident83Confident100 Ų10063.4 Ų63.446%0.46337%0.373SS..Hα-helixtrans-60.4-42.4172.7-82.8-60.2000111.9V524 D525 G532V524-H528 VanDerWaalsContact CG1-CD2 3.43Å; V524-H528 WeakPolarHBondContact CG1-CD2 3.46Å; V524-H528 PolarHBondContact O-CD2 3.16Å; V524-H528 PolarHBondContact O-N 3.49Å; D525-H528 PolarHBondContact O-N 3.46Å; H528-G532 PolarHBondContact O-N 3.32Å
529R89.7Confident81.6Confident141 Ų14163.9 Ų63.953%0.53238%0.378SS..Hα-helixtrans-63.1-44.6173.7-68.8177.4-169.5-179.25.8111.8F507 D525 Y526 L527 V531 G532 V533F507-R529 HydrophobicContact CD1-CB 4.45Å; F507-R529 HydrophobicContact CD2-CB 4.41Å; F507-R529 HydrophobicContact CE2-CB 4.5Å; F507-R529 HydrophobicContact CG-CB 4.39Å; D525-R529 WeakPolarHBondContact O-CG 3.08Å; D525-R529 PolarHBondContact O-N 3.27Å; D525-R529 VanDerWaalsContact O-N 3.1Å; Y526-R529 PolarHBondContact O-N 3.49Å; L527-R529 VanDerWaalsContact C-N 3.32Å; L527-R529 PolarHBondContact O-N 3.01Å; R529-V531 PolarHBondContact O-N 3.13Å; R529-G532 PolarHBondContact O-N 2.9Å; R529-V533 WeakPolarHBondContact O-CG2 3.44Å; R529-V533 PolarHBondContact O-N 3.34Å; R529-V533 VanDerWaalsContact O-N 3.13Å
530S85.7Confident80.2Confident5 Ų561.2 Ų61.24%0.03537%0.366CS..Hα-helixtrans-57.6-48.1177.2-177.70000112.4P504 Y526 L527 G532 V533 Q534P504-S530 PolarHBondContact O-OG 3.5Å; Y526-S530 PolarHBondContact O-N 3.27Å; L527-S530 WeakPolarHBondContact O-CB 3.28Å; L527-S530 PolarHBondContact O-N 3.35Å; S530-G532 VanDerWaalsContact C-N 3.34Å; S530-V533 PolarHBondContact O-N 3.46Å; S530-Q534 PolarHBondContact O-N 2.96Å; S530-Q534 VanDerWaalsContact O-N 3.09Å
531V85.4Confident78.8Confident39 Ų3963.7 Ų63.724%0.23638%0.382CS..Hα-helixtrans-71.2-31.8-179.6175.30000111.2L527 R529 V533 Q534 A546L527-V531 WeakPolarHBondContact O-CG2 3.4Å; L527-V531 PolarHBondContact O-N 3.02Å; R529-V531 PolarHBondContact O-N 3.13Å; V531-V533 VanDerWaalsContact C-N 3.31Å; V531-V533 PolarHBondContact O-N 3.49Å; V531-Q534 CarbonylContact O-C 3.24Å; V531-Q534 PolarHBondContact O-N 3.33Å; V531-A546 HydrophobicContact CG2-CB 4.17Å
532G86.1Confident77.4Confident62 Ų6257.4 Ų57.464%0.63936%0.355SS*.Hα-helixtrans-62.3-36.7173.700000113.1H528 R529 S530H528-G532 PolarHBondContact O-N 3.32Å; R529-G532 PolarHBondContact O-N 2.9Å; S530-G532 VanDerWaalsContact C-N 3.34Å
533V84.1Confident76.2Confident63 Ų6355 Ų5538%0.38234%0.341SS..Hα-helixtrans-76.6-43.7175.91780000111.7P504 F507 R529 S530 V531 P535P504-V533 HydrophobicContact CB-CB 4.35Å; P504-V533 HydrophobicContact CB-CG1 4.21Å; P504-V533 HydrophobicContact CG-CG1 4.35Å; F507-V533 HydrophobicContact CE2-CG2 4.4Å; R529-V533 WeakPolarHBondContact O-CG2 3.44Å; R529-V533 PolarHBondContact O-N 3.34Å; R529-V533 VanDerWaalsContact O-N 3.13Å; S530-V533 PolarHBondContact O-N 3.46Å; V531-V533 VanDerWaalsContact C-N 3.31Å; V531-V533 PolarHBondContact O-N 3.49Å; V533-P535 WeakPolarHBondContact O-CD 3.5Å
534Q73.8Confident75.2Confident52 Ų5258.9 Ų58.924%0.24336%0.361CS..SBendtrans-120.292.1176.6-78.4-172.9-1300111.8P504 S530 V531 S540 S542 S543P504-Q534 HydrophobicContact CB-CB 4.28Å; P504-Q534 HydrophobicContact CB-CG 3.92Å; P504-Q534 HydrophobicContact CG-CG 3.76Å; S530-Q534 PolarHBondContact O-N 2.96Å; S530-Q534 VanDerWaalsContact O-N 3.09Å; V531-Q534 CarbonylContact O-C 3.24Å; V531-Q534 PolarHBondContact O-N 3.33Å; Q534-S540 PolarHBondContact OE1-OG 2.88Å; Q534-S542 PolarHBondContact OE1-OG 3.33Å; Q534-S543 PolarHBondContact O-OG 3.24Å
535P74.4Confident74.3Confident77 Ų7759.3 Ų59.350%0.536%0.364SS..  trans-59.4143.6170.7-2333.5000111.1V533 S537 C538V533-P535 WeakPolarHBondContact O-CD 3.5Å; P535-S537 PolarHBondContact O-N 3.31Å; P535-C538 WeakPolarHBondContact O-CB 3.34Å; P535-C538 PolarHBondContact O-N 2.94Å
536S61.4Low73.6Confident74 Ų7454.9 Ų54.952%0.51734%0.34SS..G310 helixtrans-54.6-18.5-179.150.80000114.6C538 G539 S543S536-C538 PolarHBondContact O-N 3.24Å; S536-C538 VanDerWaalsContact O-N 3.09Å; S536-G539 PolarHBondContact O-N 3.39Å; S536-S543 WeakPolarHBondContact CA-OG 3.25Å; S536-S543 PolarHBondContact N-OG 2.86Å
537S56.6Low73.1Confident120 Ų12054.4 Ų54.484%0.83934%0.343SS*.G310 helixtrans-59-16.4171.3-169.40000114P535 G539P535-S537 PolarHBondContact O-N 3.31Å; S537-G539 VanDerWaalsContact C-N 3.28Å; S537-G539 PolarHBondContact O-N 3.47Å
538C58Low72.7Confident85 Ų8558.1 Ų58.157%0.57437%0.366SS*.G310 helixtrans-78.5-7.5-179.5-165.90000113.5P535 S536 S540P535-C538 WeakPolarHBondContact O-CB 3.34Å; P535-C538 PolarHBondContact O-N 2.94Å; S536-C538 PolarHBondContact O-N 3.24Å; S536-C538 VanDerWaalsContact O-N 3.09Å; C538-S540 PolarHBondContact O-N 3.13Å
539G56.1Low72.3Confident59 Ų5954.2 Ų54.261%0.60835%0.348SS*.  trans64.85.2174.900000115.3S536 S537S536-G539 PolarHBondContact O-N 3.39Å; S537-G539 VanDerWaalsContact C-N 3.28Å; S537-G539 PolarHBondContact O-N 3.47Å
540S59.1Low72.1Confident29 Ų2948.3 Ų48.320%0.20333%0.327CS..  trans-70.7135.9178.5590000110.7Q534 C538 S542 S543 N544Q534-S540 PolarHBondContact OE1-OG 2.88Å; C538-S540 PolarHBondContact O-N 3.13Å; S540-S542 WeakPolarHBondContact CB-OG 3.26Å; S540-S542 PolarHBondContact O-N 2.93Å; S540-S542 PolarHBondContact OG-OG 3.47Å; S540-S543 PolarHBondContact O-N 3.49Å; S540-S543 VanDerWaalsContact O-N 3.08Å; S540-S543 WeakPolarHBondContact OG-CB 3.31Å; S540-S543 PolarHBondContact OG-N 2.88Å; S540-N544 PolarHBondContact O-N 3.19Å
541T60.7Low72Confident76 Ų7652.6 Ų52.647%0.46635%0.349SS..Hα-helixtrans-55-35.1175.149.80000111.4N544 V545T541-N544 PolarHBondContact O-N 3.05Å; T541-V545 VanDerWaalsContact O-CG2 3.25Å; T541-V545 WeakPolarHBondContact O-CG2 3.47Å; T541-V545 PolarHBondContact O-N 3.19Å; T541-V545 VanDerWaalsContact O-N 3.09Å
542S59.8Low71.8Confident18 Ų1853.6 Ų53.613%0.12636%0.355CS..Hα-helixtrans-59.6-44.2175.157.80000113.4Q534 S540 V545 A546Q534-S542 PolarHBondContact OE1-OG 3.33Å; S540-S542 WeakPolarHBondContact CB-OG 3.26Å; S540-S542 PolarHBondContact O-N 2.93Å; S540-S542 PolarHBondContact OG-OG 3.47Å; S542-V545 PolarHBondContact O-N 2.89Å; S542-A546 WeakPolarHBondContact O-CB 3.42Å; S542-A546 PolarHBondContact O-N 3.14Å
543S66Low71.6Confident3 Ų350.9 Ų50.92%0.02133%0.327CS..Hα-helixtrans-70.4-37.4-178.2-175.30000111.8Q534 S536 S540 V545 A546 S547Q534-S543 PolarHBondContact O-OG 3.24Å; S536-S543 WeakPolarHBondContact CA-OG 3.25Å; S536-S543 PolarHBondContact N-OG 2.86Å; S540-S543 PolarHBondContact O-N 3.49Å; S540-S543 VanDerWaalsContact O-N 3.08Å; S540-S543 WeakPolarHBondContact OG-CB 3.31Å; S540-S543 PolarHBondContact OG-N 2.88Å; S543-V545 VanDerWaalsContact C-N 3.3Å; S543-V545 PolarHBondContact O-N 3.42Å; S543-A546 PolarHBondContact O-N 2.64Å; S543-S547 WeakPolarHBondContact O-CB 3.08Å; S543-S547 PolarHBondContact O-N 2.87Å; S543-S547 PolarHBondContact O-OG 2.9Å
544N70Confident71.6Confident81 Ų8150.9 Ų50.943%0.43332%0.324SS..Hα-helixtrans-64.3-37.1173.8-69.4-17.9000111.6S540 T541 S547 T548S540-N544 PolarHBondContact O-N 3.19Å; T541-N544 PolarHBondContact O-N 3.05Å; N544-S547 WeakPolarHBondContact CA-OG 3.37Å; N544-S547 PolarHBondContact O-OG 2.74Å; N544-T548 WeakPolarHBondContact O-CB 3.48Å; N544-T548 VanDerWaalsContact O-CG2 3.3Å; N544-T548 WeakPolarHBondContact O-CG2 3.43Å; N544-T548 PolarHBondContact O-N 3.15Å; N544-T548 VanDerWaalsContact O-N 3.07Å; N544-T548 PolarHBondContact O-OG1 3.13Å
545V71.4Confident72Confident26 Ų2652.2 Ų52.216%0.15833%0.33CS..Hα-helixtrans-73.8-40.9176.5-174.10000111.6T541 S542 S543 S547 T548 M549 L577 P578T541-V545 VanDerWaalsContact O-CG2 3.25Å; T541-V545 WeakPolarHBondContact O-CG2 3.47Å; T541-V545 PolarHBondContact O-N 3.19Å; T541-V545 VanDerWaalsContact O-N 3.09Å; S542-V545 PolarHBondContact O-N 2.89Å; S543-V545 VanDerWaalsContact C-N 3.3Å; S543-V545 PolarHBondContact O-N 3.42Å; V545-S547 VanDerWaalsContact C-N 3.33Å; V545-S547 PolarHBondContact O-N 2.79Å; V545-T548 WeakPolarHBondContact CA-OG1 3.42Å; V545-T548 PolarHBondContact O-N 3.48Å; V545-T548 PolarHBondContact O-OG1 3.47Å; V545-M549 HydrophobicContact CG1-CG 4.09Å; V545-M549 HydrophobicContact CG1-SD 4.03Å; V545-M549 VanDerWaalsContact O-CB 3.28Å; V545-M549 WeakPolarHBondContact O-CB 3.5Å; V545-M549 VanDerWaalsContact O-CG 3.26Å; V545-M549 WeakPolarHBondContact O-CG 3.41Å; V545-M549 PolarHBondContact O-N 3.41Å; V545-L577 HydrophobicContact CB-CD2 3.96Å; V545-L577 HydrophobicContact CG1-CD2 3.21Å; V545-L577 HydrophobicContact CG1-CG 4.47Å; V545-L577 HydrophobicContact CG2-CD2 4.3Å; V545-P578 HydrophobicContact CG2-CG 4.01Å
546A78.1Confident72.3Confident1 Ų150 Ų501%0.00832%0.319CS..Hα-helixtrans-60.6-41.717600000112.1A508 L527 V531 S542 S543 L550A508-A546 HydrophobicContact CB-CB 4.36Å; L527-A546 HydrophobicContact CD2-CB 4.21Å; V531-A546 HydrophobicContact CG2-CB 4.17Å; S542-A546 WeakPolarHBondContact O-CB 3.42Å; S542-A546 PolarHBondContact O-N 3.14Å; S543-A546 PolarHBondContact O-N 2.64Å; A546-L550 VanDerWaalsContact O-CB 3.3Å; A546-L550 WeakPolarHBondContact O-CB 3.43Å; A546-L550 PolarHBondContact O-N 3.05Å
547S80.3Confident73.3Confident31 Ų3150.5 Ų50.522%0.21732%0.315CS..Hα-helixtrans-69.3-40.7177.553.60000113.3S543 N544 V545 L550 N551S543-S547 WeakPolarHBondContact O-CB 3.08Å; S543-S547 PolarHBondContact O-N 2.87Å; S543-S547 PolarHBondContact O-OG 2.9Å; N544-S547 WeakPolarHBondContact CA-OG 3.37Å; N544-S547 PolarHBondContact O-OG 2.74Å; V545-S547 VanDerWaalsContact C-N 3.33Å; V545-S547 PolarHBondContact O-N 2.79Å; S547-L550 WeakPolarHBondContact O-CB 3.45Å; S547-L550 PolarHBondContact O-N 3.11Å; S547-N551 PolarHBondContact O-N 3.12Å; S547-N551 PolarHBondContact O-ND2 3.15Å
548T81Confident74.5Confident78 Ų7848.6 Ų48.648%0.47930%0.299SS..Hα-helixtrans-65.9-42.1174.1500000111.7N544 V545 L550 N551 V552N544-T548 WeakPolarHBondContact O-CB 3.48Å; N544-T548 VanDerWaalsContact O-CG2 3.3Å; N544-T548 WeakPolarHBondContact O-CG2 3.43Å; N544-T548 PolarHBondContact O-N 3.15Å; N544-T548 VanDerWaalsContact O-N 3.07Å; N544-T548 PolarHBondContact O-OG1 3.13Å; V545-T548 WeakPolarHBondContact CA-OG1 3.42Å; V545-T548 PolarHBondContact O-N 3.48Å; V545-T548 PolarHBondContact O-OG1 3.47Å; T548-L550 VanDerWaalsContact C-N 3.31Å; T548-L550 PolarHBondContact O-N 2.92Å; T548-N551 PolarHBondContact O-N 3.38Å; T548-V552 WeakPolarHBondContact O-CG2 3.47Å; T548-V552 PolarHBondContact O-N 2.91Å
549M80.9Confident75.1Confident19 Ų1946.7 Ų46.79%0.09429%0.293CS..Hα-helixtrans-60.7-40173-77.7-176.66900112.4M512 L527 V545 V552 C553M512-M549 HydrophobicContact CB-CE 3.67Å; M512-M549 HydrophobicContact CE-CE 3.74Å; M512-M549 HydrophobicContact CE-SD 3.56Å; M512-M549 VanDerWaalsContact CE-SD 3.56Å; M512-M549 HydrophobicContact CG-CE 4.13Å; L527-M549 HydrophobicContact CD1-CB 4.07Å; L527-M549 HydrophobicContact CD2-CB 4.09Å; V545-M549 HydrophobicContact CG1-CG 4.09Å; V545-M549 HydrophobicContact CG1-SD 4.03Å; V545-M549 VanDerWaalsContact O-CB 3.28Å; V545-M549 WeakPolarHBondContact O-CB 3.5Å; V545-M549 VanDerWaalsContact O-CG 3.26Å; V545-M549 WeakPolarHBondContact O-CG 3.41Å; V545-M549 PolarHBondContact O-N 3.41Å; M549-V552 PolarHBondContact O-N 3.43Å; M549-C553 WeakPolarHBondContact O-CB 3.32Å; M549-C553 PolarHBondContact O-N 2.97Å; M549-C553 PolarHBondContact O-SG 3.33Å
550L84.8Confident75.2Confident17 Ų1751.9 Ų51.99%0.08930%0.299CS..Hα-helixtrans-60.9-47177.1179.664.3000110.5V524 L527 A546 S547 T548 V552 C553 I554V524-L550 HydrophobicContact CG1-CD1 4.02Å; V524-L550 HydrophobicContact CG2-CD1 4.45Å; L527-L550 HydrophobicContact CB-CB 4.13Å; L527-L550 HydrophobicContact CB-CD1 3.79Å; L527-L550 HydrophobicContact CB-CG 4.46Å; L527-L550 HydrophobicContact CD1-CB 4.25Å; L527-L550 HydrophobicContact CD1-CD1 4.46Å; A546-L550 VanDerWaalsContact O-CB 3.3Å; A546-L550 WeakPolarHBondContact O-CB 3.43Å; A546-L550 PolarHBondContact O-N 3.05Å; S547-L550 WeakPolarHBondContact O-CB 3.45Å; S547-L550 PolarHBondContact O-N 3.11Å; T548-L550 VanDerWaalsContact C-N 3.31Å; T548-L550 PolarHBondContact O-N 2.92Å; L550-V552 PolarHBondContact O-N 3.01Å; L550-C553 PolarHBondContact O-N 3.23Å; L550-I554 HydrophobicContact CD1-CD1 3.84Å; L550-I554 HydrophobicContact CD1-CG1 4.28Å; L550-I554 HydrophobicContact CG-CD1 3.78Å; L550-I554 WeakPolarHBondContact O-CB 3.39Å; L550-I554 VanDerWaalsContact O-CG1 3.24Å; L550-I554 WeakPolarHBondContact O-CG1 2.78Å; L550-I554 PolarHBondContact O-N 3.48Å
551N83.2Confident75.1Confident94 Ų9452.2 Ų52.250%0.50331%0.307SS..Hα-helixtrans-60.1-45.4176.8-68.1-21.3000111.6S547 T548 C553 I554 E555S547-N551 PolarHBondContact O-N 3.12Å; S547-N551 PolarHBondContact O-ND2 3.15Å; T548-N551 PolarHBondContact O-N 3.38Å; N551-C553 PolarHBondContact O-N 3.3Å; N551-I554 PolarHBondContact O-N 3.34Å; N551-E555 WeakPolarHBondContact O-CB 3.37Å; N551-E555 WeakPolarHBondContact O-CG 3.24Å; N551-E555 PolarHBondContact O-N 3.43Å
552V82.7Confident74.8Confident60 Ų6056.2 Ų56.236%0.36432%0.324SS..Hα-helixtrans-61.6-42.8177.5172.90000111.7T548 M549 L550 E555 A556T548-V552 WeakPolarHBondContact O-CG2 3.47Å; T548-V552 PolarHBondContact O-N 2.91Å; M549-V552 PolarHBondContact O-N 3.43Å; L550-V552 PolarHBondContact O-N 3.01Å; V552-E555 PolarHBondContact O-N 3.25Å; V552-A556 WeakPolarHBondContact O-CB 3.4Å; V552-A556 PolarHBondContact O-N 3.34Å
553C81.5Confident74.4Confident6 Ų661.6 Ų61.64%0.04134%0.342CS..Hα-helixtrans-67.1-38.9178.6-65.50000112V524 M549 L550 N551 A556 L557V524-C553 HydrophobicContact CG2-CB 3.64Å; M549-C553 WeakPolarHBondContact O-CB 3.32Å; M549-C553 PolarHBondContact O-N 2.97Å; M549-C553 PolarHBondContact O-SG 3.33Å; L550-C553 PolarHBondContact O-N 3.23Å; N551-C553 PolarHBondContact O-N 3.3Å; C553-A556 PolarHBondContact O-N 3.01Å; C553-L557 WeakPolarHBondContact O-CG 3.41Å; C553-L557 PolarHBondContact O-N 3.04Å
554I84Confident73.4Confident62 Ų6264.4 Ų64.432%0.31837%0.365SS..Hα-helixtrans-67.9-41.9176.5-67.6168.3000111.1V524 L550 N551 A556 L557 T558V524-I554 HydrophobicContact CG2-CG1 4.34Å; L550-I554 HydrophobicContact CD1-CD1 3.84Å; L550-I554 HydrophobicContact CD1-CG1 4.28Å; L550-I554 HydrophobicContact CG-CD1 3.78Å; L550-I554 WeakPolarHBondContact O-CB 3.39Å; L550-I554 VanDerWaalsContact O-CG1 3.24Å; L550-I554 WeakPolarHBondContact O-CG1 2.78Å; L550-I554 PolarHBondContact O-N 3.48Å; N551-I554 PolarHBondContact O-N 3.34Å; I554-A556 VanDerWaalsContact C-N 3.32Å; I554-A556 PolarHBondContact O-N 3.16Å; I554-L557 PolarHBondContact O-N 3.43Å; I554-T558 HydrophobicContact CG2-CG2 4.13Å; I554-T558 WeakPolarHBondContact O-CB 3.33Å; I554-T558 VanDerWaalsContact O-CG2 3.3Å; I554-T558 WeakPolarHBondContact O-CG2 3.45Å; I554-T558 PolarHBondContact O-N 2.91Å; I554-T558 PolarHBondContact O-OG1 3.22Å
555E83Confident72.2Confident80 Ų8064.6 Ų64.637%0.37437%0.373SS..Hα-helixtrans-60.9-42.1174.6-75.6179.7-169.600111.6N551 V552 T558 G559 K560N551-E555 WeakPolarHBondContact O-CB 3.37Å; N551-E555 WeakPolarHBondContact O-CG 3.24Å; N551-E555 PolarHBondContact O-N 3.43Å; V552-E555 PolarHBondContact O-N 3.25Å; E555-T558 PolarHBondContact O-N 2.8Å; E555-T558 PolarHBondContact O-OG1 2.91Å; E555-G559 PolarHBondContact O-N 2.95Å; E555-G559 VanDerWaalsContact O-N 3.13Å; E555-K560 PolarHBondContact O-N 3.31Å
556A80.2Confident70.8Confident32 Ų3272 Ų7226%0.26441%0.412SS..Hα-helixtrans-63.7-39.9175.900000112.5L520 V552 C553 I554L520-A556 HydrophobicContact CD1-CB 3.91Å; V552-A556 WeakPolarHBondContact O-CB 3.4Å; V552-A556 PolarHBondContact O-N 3.34Å; C553-A556 PolarHBondContact O-N 3.01Å; I554-A556 VanDerWaalsContact C-N 3.32Å; I554-A556 PolarHBondContact O-N 3.16Å
557L82.7Confident69Low83 Ų8380.7 Ų80.744%0.43544%0.444SS..Hα-helixtrans-71.6-38.1176.5-76.2172.3000113.2L520 E521 V524 C553 I554 G559L520-L557 HydrophobicContact CB-CD1 4.28Å; L520-L557 HydrophobicContact CB-CD2 3.65Å; L520-L557 HydrophobicContact CB-CG 3.88Å; L520-L557 HydrophobicContact CD1-CD2 4.2Å; L520-L557 HydrophobicContact CD1-CG 4.34Å; E521-L557 HydrophobicContact CG-CD2 4.28Å; V524-L557 HydrophobicContact CG2-CD1 3.74Å; C553-L557 WeakPolarHBondContact O-CG 3.41Å; C553-L557 PolarHBondContact O-N 3.04Å; I554-L557 PolarHBondContact O-N 3.43Å; L557-G559 VanDerWaalsContact C-N 3.3Å; L557-G559 PolarHBondContact O-N 3.46Å
558T81.9Confident67.4Low81 Ų8188.1 Ų88.150%0.49747%0.473SS..Hα-helixtrans-81.7-8.5-177.155.60000113.5I554 E555 K560I554-T558 HydrophobicContact CG2-CG2 4.13Å; I554-T558 WeakPolarHBondContact O-CB 3.33Å; I554-T558 VanDerWaalsContact O-CG2 3.3Å; I554-T558 WeakPolarHBondContact O-CG2 3.45Å; I554-T558 PolarHBondContact O-N 2.91Å; I554-T558 PolarHBondContact O-OG1 3.22Å; E555-T558 PolarHBondContact O-N 2.8Å; E555-T558 PolarHBondContact O-OG1 2.91Å; T558-K560 PolarHBondContact O-N 3.26Å; T558-K560 VanDerWaalsContact O-N 3.16Å
559G69.6Low65.6Low45 Ų4587.2 Ų87.246%0.46447%0.467SS..THydrogen-bonded Turntrans63.316.2-177.700000113.5E555 L557 A564E555-G559 PolarHBondContact O-N 2.95Å; E555-G559 VanDerWaalsContact O-N 3.13Å; L557-G559 VanDerWaalsContact C-N 3.3Å; L557-G559 PolarHBondContact O-N 3.46Å; G559-A564 VanDerWaalsContact O-CB 3.29Å; G559-A564 WeakPolarHBondContact O-CB 3.42Å
560K59.3Low64Low168 Ų16888.1 Ų88.173%0.7348%0.482SS*.  trans-11493.5-178-71.1179.7-178.6179.30108.3E555 T558E555-K560 PolarHBondContact O-N 3.31Å; T558-K560 PolarHBondContact O-N 3.26Å; T558-K560 VanDerWaalsContact O-N 3.16Å
561G56.6Low61.9Low35 Ų3596.2 Ų96.236%0.36152%0.516SS..SBendtrans162168.1178.900000112.6Y563 A564G561-Y563 PolarHBondContact O-N 3.26Å; G561-A564 WeakPolarHBondContact O-CB 3.33Å; G561-A564 PolarHBondContact O-N 2.99Å
562I53Low59.8Low161 Ų16195 Ų9583%0.82651%0.51SS*.THydrogen-bonded Turntrans-56.8-22.1-178-63168.6000111.8
563Y51.2Low58.1Low130 Ų13093.9 Ų93.951%0.5150%0.501SS..THydrogen-bonded Turntrans-87.11.6179.8-58.4-75.2000115.1G561 S565G561-Y563 PolarHBondContact O-N 3.26Å; Y563-S565 PolarHBondContact O-N 3.06Å
564A46.6Very low56.2Low62 Ų6297.8 Ų97.851%0.51253%0.527SS..  trans-712.3-175.100000115.7G559 G561G559-A564 VanDerWaalsContact O-CB 3.29Å; G559-A564 WeakPolarHBondContact O-CB 3.42Å; G561-A564 WeakPolarHBondContact O-CB 3.33Å; G561-A564 PolarHBondContact O-N 2.99Å
565S44.3Very low54.1Low85 Ų8599.9 Ų99.959%0.59454%0.538SS*.SBendtrans-117.296.7-176.962.30000113Y563 R567Y563-S565 PolarHBondContact O-N 3.06Å; S565-R567 VanDerWaalsContact C-N 3.27Å; S565-R567 PolarHBondContact O-N 2.82Å
566N41.4Very low51.8Low181 Ų181101.2 Ų101.297%0.96855%0.552SS**SBendtrans47.722.4150.7-91.8-10.5000120.2
567R41.9Very low49.7Very low184 Ų184101 Ų10169%0.69455%0.546SS*.  trans-100.2132.7168.9-70.2-173.9179.8-172.91.7109.8S565 V569 D572S565-R567 VanDerWaalsContact C-N 3.27Å; S565-R567 PolarHBondContact O-N 2.82Å; R567-V569 PolarHBondContact O-N 3.15Å; R567-D572 WeakPolarHBondContact CB-OD2 3.13Å; R567-D572 WeakPolarHBondContact CD-OD2 3.48Å
568K44.9Very low47.2Very low187 Ų18799.6 Ų99.681%0.81354%0.542SS*.  trans-53.1105.5174.5-72.1-177.8176.3-176.60108.2G570 K571K568-G570 PolarHBondContact O-N 2.91Å; K568-K571 PolarHBondContact O-N 3.49Å; K568-K571 VanDerWaalsContact O-N 3.09Å
569V44.5Very low44.9Very low59 Ų59103 Ų10336%0.35855%0.553SS.*G310 helixtrans-50.1-25.2-173.41790000112.7L520 R567 K571 I573L520-V569 HydrophobicContact CD2-CG1 4.29Å; R567-V569 PolarHBondContact O-N 3.15Å; V569-K571 VanDerWaalsContact C-N 3.31Å; V569-K571 PolarHBondContact O-N 3.45Å; V569-I573 HydrophobicContact CG1-CD1 4.44Å
570G46.2Very low43.2Very low39 Ų39107.1 Ų107.140%0.40256%0.564SS.*G310 helixtrans-69.2-9.5178.400000117.4K568K568-G570 PolarHBondContact O-N 2.91Å
571K40.6Very low42.1Very low187 Ų187100.7 Ų100.781%0.81354%0.537SS*.G310 helixtrans-103.6-19.4177.6-78.2-168.7175.9-172.40115.1K568 V569K568-K571 PolarHBondContact O-N 3.49Å; K568-K571 VanDerWaalsContact O-N 3.09Å; V569-K571 VanDerWaalsContact C-N 3.31Å; V569-K571 PolarHBondContact O-N 3.45Å
572D40.2Very low41.1Very low68 Ų68100.3 Ų100.336%0.36453%0.527SS..THydrogen-bonded Turntrans-104.2-3.1-170.5-65.4-27.7000113R567 P574R567-D572 WeakPolarHBondContact CB-OD2 3.13Å; R567-D572 WeakPolarHBondContact CD-OD2 3.48Å; D572-P574 WeakPolarHBondContact O-CD 3.43Å
573I47.3Very low40.1Very low36 Ų3694.2 Ų94.219%0.18550%0.497CS..SBendtrans-72.9115.6166.5-58.6166.8000106.5A515 V569 D575A515-I573 HydrophobicContact CB-CD1 3.88Å; V569-I573 HydrophobicContact CG1-CD1 4.44Å; I573-D575 PolarHBondContact O-N 3.07Å; I573-D575 VanDerWaalsContact O-N 3.07Å
574P41.4Very low39.1Very low89 Ų8988.8 Ų88.858%0.57848%0.478SS*.  trans-56.2121.9-178.719.7-29.1000109.4D572 T576D572-P574 WeakPolarHBondContact O-CD 3.43Å; P574-T576 PolarHBondContact O-N 2.81Å
575D38.8Very low38.2Very low106 Ų10685.9 Ų85.957%0.56745%0.454SS*.SBendtrans-60.8-5.9179.3-127.9-32.5000113.4R481 K482 I573R481-D575 IonicContact NH1-OD1 3.92Å; K482-D575 VanDerWaalsContact NZ-CG 3.34Å; K482-D575 PolarHBondContact NZ-O 2.92Å; K482-D575 VanDerWaalsContact NZ-O 3.13Å; K482-D575 IonicContact NZ-OD1 3.4Å; K482-D575 PolarHBondContact NZ-OD1 3.36Å; K482-D575 IonicContact NZ-OD2 2.62Å; I573-D575 PolarHBondContact O-N 3.07Å; I573-D575 VanDerWaalsContact O-N 3.07Å
576T34.2Very low37.4Very low108 Ų10882 Ų8266%0.66343%0.428SS*.  trans-101.681.9-176.554.40000110P574P574-T576 PolarHBondContact O-N 2.81Å
577L36.7Very low36.7Very low27 Ų2773.8 Ų73.814%0.14138%0.384CS..SBendtrans-52.8146.1135.8-73.9156.7000106.6M512 V545 E579 L581M512-L577 HydrophobicContact CE-CD1 3.42Å; M512-L577 VanDerWaalsContact CE-CD1 3.42Å; M512-L577 HydrophobicContact CE-CD2 3.78Å; M512-L577 HydrophobicContact CE-CG 3.52Å; M512-L577 HydrophobicContact SD-CD1 3.76Å; M512-L577 HydrophobicContact SD-CG 4.42Å; V545-L577 HydrophobicContact CB-CD2 3.96Å; V545-L577 HydrophobicContact CG1-CD2 3.21Å; V545-L577 HydrophobicContact CG1-CG 4.47Å; V545-L577 HydrophobicContact CG2-CD2 4.3Å; L577-E579 PolarHBondContact O-N 2.95Å; L577-E579 VanDerWaalsContact O-N 3.14Å; L577-L581 HydrophobicContact CB-CD1 3.69Å; L577-L581 HydrophobicContact CD1-CD1 4.15Å; L577-L581 HydrophobicContact CD2-CD1 3.3Å; L577-L581 HydrophobicContact CG-CD1 3.86Å
578P30.4Very low35.9Very low53 Ų5367 Ų6734%0.34437%0.372SS..  trans-47.8131.4166.120.7-29.6000107.4V545 N580 L581V545-P578 HydrophobicContact CG2-CG 4.01Å; P578-N580 PolarHBondContact O-N 3.26Å; P578-L581 HydrophobicContact CG-CD1 4.27Å; P578-L581 PolarHBondContact O-N 3.45Å
579E34.5Very low35Very low154 Ų15460.6 Ų60.672%0.7235%0.35SS*.G310 helixtrans-51.9-13.5-175.7-68.5-179153.100112.5L577 L581L577-E579 PolarHBondContact O-N 2.95Å; L577-E579 VanDerWaalsContact O-N 3.14Å; E579-L581 VanDerWaalsContact C-N 3.31Å; E579-L581 PolarHBondContact O-N 3.46Å
580N32.6Very low34.2Very low131 Ų13159.1 Ų59.170%0.70134%0.34SS*.G310 helixtrans-80.121.5178.2-59.6-4.7000116.1P578P578-N580 PolarHBondContact O-N 3.26Å
581L35.7Very low33Very low33 Ų3360.8 Ų60.817%0.17334%0.344CS..G310 helixtrans-104.9-15.2173.1-92.9151.5000114L577 P578 E579 T583L577-L581 HydrophobicContact CB-CD1 3.69Å; L577-L581 HydrophobicContact CD1-CD1 4.15Å; L577-L581 HydrophobicContact CD2-CD1 3.3Å; L577-L581 HydrophobicContact CG-CD1 3.86Å; P578-L581 HydrophobicContact CG-CD1 4.27Å; P578-L581 PolarHBondContact O-N 3.45Å; E579-L581 VanDerWaalsContact C-N 3.31Å; E579-L581 PolarHBondContact O-N 3.46Å; L581-T583 PolarHBondContact O-N 2.62Å
582M35.4Very low32.3Very low27 Ų2752.6 Ų52.613%0.13331%0.312CS..SBendtrans-72.1115.9156.8-77.6-67.9-144.400106.5F438 N475 H478 S584F438-M582 HydrophobicContact CB-CE 4.22Å; F438-M582 HydrophobicContact CD1-CE 3.35Å; F438-M582 HydrophobicContact CD1-CG 3.71Å; F438-M582 HydrophobicContact CD1-SD 4.35Å; F438-M582 HydrophobicContact CD2-CE 3.3Å; F438-M582 HydrophobicContact CE1-CE 3.36Å; F438-M582 HydrophobicContact CE1-CG 3.54Å; F438-M582 HydrophobicContact CE1-SD 4.29Å; F438-M582 HydrophobicContact CE2-CE 3.3Å; F438-M582 HydrophobicContact CG-CE 3.33Å; F438-M582 HydrophobicContact CZ-CE 3.34Å; F438-M582 HydrophobicContact CZ-CG 4.3Å; N475-M582 HydrophobicContact CB-SD 4.34Å; N475-M582 PolarHBondContact OD1-SD 3.27Å; N475-M582 VanDerWaalsContact OD1-SD 3.37Å; H478-M582 HydrophobicContact CB-CE 3.27Å; H478-M582 HydrophobicContact CB-SD 3.77Å; H478-M582 VanDerWaalsContact CD2-SD 3.58Å; M582-S584 PolarHBondContact O-N 2.89Å
583T32.5Very low31.6Very low32 Ų3250 Ų5020%0.19630%0.3CS..  trans-66.499.9159.754.40000104.7N475 L581 S589N475-T583 PolarHBondContact ND2-O 2.78Å; N475-T583 VanDerWaalsContact ND2-O 3.16Å; L581-T583 PolarHBondContact O-N 2.62Å; T583-S589 WeakPolarHBondContact CG2-O 3.31Å
584S29.7Very low30.5Very low17 Ų1750 Ų5012%0.11930%0.3CS..  trans-53.2155.815674.20000106.8E439 M582 G586E439-S584 WeakPolarHBondContact OE1-CB 3.46Å; M582-S584 PolarHBondContact O-N 2.89Å; S584-G586 VanDerWaalsContact O-CA 3.31Å; S584-G586 WeakPolarHBondContact O-CA 3.31Å; S584-G586 PolarHBondContact O-N 3.24Å; S584-G586 VanDerWaalsContact OG-CA 3.32Å; S584-G586 WeakPolarHBondContact OG-CA 3.45Å; S584-G586 PolarHBondContact OG-N 3.46Å
585A29.1Very low29.9Very low1 Ų148.4 Ų48.41%0.00828%0.282CS..SBendtrans-25.8-23.8150.900000117.4I401 E432I401-A585 HydrophobicContact CB-CB 3.96Å; I401-A585 HydrophobicContact CD1-CB 3.67Å; I401-A585 HydrophobicContact CG1-CB 3.37Å; I401-A585 HydrophobicContact CG2-CB 3.75Å; I401-A585 WeakPolarHBondContact CG2-O 3.45Å; E432-A585 HydrophobicContact CB-CB 3.83Å; E432-A585 HydrophobicContact CG-CB 3.52Å; E432-A585 WeakPolarHBondContact OE1-CA 3.44Å; E432-A585 WeakPolarHBondContact OE1-CB 3.47Å; E432-A585 WeakPolarHBondContact OE2-CA 3.44Å; E432-A585 WeakPolarHBondContact OE2-CB 3.14Å; E432-A585 PolarHBondContact OE2-N 2.88Å
586G28Very low29.4Very low4 Ų443.3 Ų43.34%0.04126%0.255CS..  trans16.8103.1157.400000112.6S584 G588 S589S584-G586 VanDerWaalsContact O-CA 3.31Å; S584-G586 WeakPolarHBondContact O-CA 3.31Å; S584-G586 PolarHBondContact O-N 3.24Å; S584-G586 VanDerWaalsContact OG-CA 3.32Å; S584-G586 WeakPolarHBondContact OG-CA 3.45Å; S584-G586 PolarHBondContact OG-N 3.46Å; G586-G588 VanDerWaalsContact C-N 3.28Å; G586-G588 PolarHBondContact O-N 3.43Å; G586-S589 PolarHBondContact O-N 3Å
587P25.3Very low29.1Very low8 Ų839.1 Ų39.15%0.05223%0.227CC..THydrogen-bonded Turntrans-73.293.7-176.632.2-24.3000104.6A370 I401 E402A370-P587 CarbonylContact C-O 3.42Å; A370-P587 VanDerWaalsContact C-O 3.24Å; A370-P587 HydrophobicContact CB-CB 3.49Å; A370-P587 VanDerWaalsContact CB-CB 3.49Å; A370-P587 HydrophobicContact CB-CG 3.85Å; A370-P587 WeakPolarHBondContact CB-O 3.48Å; I401-P587 HydrophobicContact CG2-CB 3.67Å; I401-P587 HydrophobicContact CG2-CG 3.67Å; I401-P587 VanDerWaalsContact CG2-N 3.31Å; E402-P587 HydrophobicContact CB-CG 4.44Å; E402-P587 HydrophobicContact CG-CB 4.28Å; E402-P587 HydrophobicContact CG-CG 3.72Å; E402-P587 WeakPolarHBondContact OE1-CB 3.47Å; E402-P587 WeakPolarHBondContact OE1-CG 3.29Å; E402-P587 WeakPolarHBondContact OE2-CG 3.25Å
588G26.1Very low28.7Very low42 Ų4238.1 Ų38.143%0.43322%0.222SC..THydrogen-bonded Turntrans114.6-0.5-165.900000116.7G586 S593G586-G588 VanDerWaalsContact C-N 3.28Å; G586-G588 PolarHBondContact O-N 3.43Å; G588-S593 WeakPolarHBondContact CA-OG 3.38Å; G588-S593 PolarHBondContact N-OG 3.28Å; G588-S593 PolarHBondContact O-OG 3.27Å
589S25.6Very low28.6Very low52 Ų5237.5 Ų37.536%0.36421%0.214SC..THydrogen-bonded Turntrans-116.6-11.3-177-170.10000116T583 G586 P591 S593T583-S589 WeakPolarHBondContact CG2-O 3.31Å; G586-S589 PolarHBondContact O-N 3Å; S589-P591 VanDerWaalsContact O-CD 3.28Å; S589-P591 WeakPolarHBondContact O-CD 3.35Å; S589-S593 PolarHBondContact N-OG 3.1Å
590L27.1Very low28.2Very low28 Ų2832.5 Ų32.515%0.14719%0.191CC..SBendtrans-60.4133.8166.3-65114.9000108.2G592 S593L590-G592 CarbonylContact O-C 3.58Å; L590-G592 PolarHBondContact O-N 3.47Å; L590-S593 PolarHBondContact N-OG 3.04Å; L590-S593 PolarHBondContact O-N 2.88Å; L590-S593 PolarHBondContact O-OG 3.24Å
591P22Very low27.9Very low74 Ų7427 Ų2748%0.48116%0.162SC..THydrogen-bonded Turntrans-54.490.9152.6-20.131.2000107.3P471 S589P471-P591 HydrophobicContact CG-CB 4.07Å; P471-P591 VanDerWaalsContact CG-CD 3.48Å; P471-P591 HydrophobicContact CG-CG 3.75Å; S589-P591 VanDerWaalsContact O-CD 3.28Å; S589-P591 WeakPolarHBondContact O-CD 3.35Å
592G26Very low27.4Very low14 Ų1426.5 Ų26.514%0.14416%0.16CC..THydrogen-bonded Turntrans10229.3-166.100000116.2L590 R595L590-G592 CarbonylContact O-C 3.58Å; L590-G592 PolarHBondContact O-N 3.47Å; G592-R595 WeakPolarHBondContact O-CB 3.45Å; G592-R595 WeakPolarHBondContact O-CD 3.45Å; G592-R595 WeakPolarHBondContact O-CG 3.43Å
593S25.7Very low26.9Very low15 Ų1525.8 Ų25.811%0.10516%0.158CC..  trans-92.30.1163.662.90000112.9G588 S589 L590 R595G588-S593 WeakPolarHBondContact CA-OG 3.38Å; G588-S593 PolarHBondContact N-OG 3.28Å; G588-S593 PolarHBondContact O-OG 3.27Å; S589-S593 PolarHBondContact N-OG 3.1Å; L590-S593 PolarHBondContact N-OG 3.04Å; L590-S593 PolarHBondContact O-N 2.88Å; L590-S593 PolarHBondContact O-OG 3.24Å; S593-R595 PolarHBondContact O-N 3.47Å
594N24.3Very low26.6Very low36 Ų3629.3 Ų29.319%0.19317%0.173CC..SBendtrans-6741.8148.3-83.2-0.8000110.4K302K302-N594 WeakPolarHBondContact CD-O 3.35Å; K302-N594 VanDerWaalsContact CE-C 3.42Å; K302-N594 WeakPolarHBondContact CE-O 3.45Å; K302-N594 PolarHBondContact NZ-O 2.92Å
595R28.8Very low26.4Very low54 Ų5435.2 Ų35.220%0.20421%0.208CC..  trans-131.7103.9-177.6-74.9-169.3-171.5-170.26.3111.6K302 E303 G592 S593K302-R595 VanDerWaalsContact NZ-C 3.27Å; E303-R595 PolarHBondContact O-NE 3.48Å; E303-R595 WeakPolarHBondContact OE1-CA 3.15Å; E303-R595 WeakPolarHBondContact OE1-CB 2.81Å; E303-R595 WeakPolarHBondContact OE2-CB 3.08Å; E303-R595 WeakPolarHBondContact OE2-CD 3.14Å; E303-R595 WeakPolarHBondContact OE2-CG 3.49Å; G592-R595 WeakPolarHBondContact O-CB 3.45Å; G592-R595 WeakPolarHBondContact O-CD 3.45Å; G592-R595 WeakPolarHBondContact O-CG 3.43Å; S593-R595 PolarHBondContact O-N 3.47Å
596I28.1Very low26.2Very low0 Ų039.9 Ų39.90%024%0.236CC..  trans-87.6118.3-179.7-64.5135.7000104.8K302 E303 L336 T364 H367 F598K302-I596 HydrophobicContact CD-CB 4.17Å; K302-I596 HydrophobicContact CD-CD1 3.62Å; K302-I596 HydrophobicContact CD-CG1 4.08Å; K302-I596 HydrophobicContact CG-CD1 3.98Å; K302-I596 VanDerWaalsContact NZ-CD1 3.33Å; E303-I596 PolarHBondContact OE1-N 3.4Å; L336-I596 HydrophobicContact CD1-CD1 3.77Å; T364-I596 HydrophobicContact CG2-CB 4.38Å; T364-I596 HydrophobicContact CG2-CD1 3.57Å; T364-I596 HydrophobicContact CG2-CG1 3.76Å; T364-I596 HydrophobicContact CG2-CG2 3.77Å; H367-I596 WeakPolarHBondContact ND1-CG1 3.36Å; I596-F598 HydrophobicContact CB-CD1 4.28Å; I596-F598 HydrophobicContact CB-CD2 3.68Å; I596-F598 HydrophobicContact CB-CE1 3.91Å; I596-F598 HydrophobicContact CB-CE2 3.24Å; I596-F598 HydrophobicContact CB-CG 4.35Å; I596-F598 HydrophobicContact CB-CZ 3.46Å; I596-F598 VanDerWaalsContact CB-CZ 3.46Å; I596-F598 HydrophobicContact CD1-CE1 4.01Å; I596-F598 HydrophobicContact CD1-CE2 3.95Å; I596-F598 HydrophobicContact CD1-CZ 3.39Å; I596-F598 HydrophobicContact CG1-CE1 4.35Å; I596-F598 HydrophobicContact CG1-CE2 4.17Å; I596-F598 HydrophobicContact CG1-CZ 3.94Å; I596-F598 HydrophobicContact CG2-CD1 3.3Å; I596-F598 HydrophobicContact CG2-CD2 3.35Å; I596-F598 HydrophobicContact CG2-CE1 3.29Å; I596-F598 HydrophobicContact CG2-CE2 3.35Å; I596-F598 HydrophobicContact CG2-CG 3.53Å; I596-F598 HydrophobicContact CG2-CZ 3.41Å; I596-F598 VanDerWaalsContact CG2-CZ 3.41Å; I596-F598 WeakPolarHBondContact O-CD2 3.33Å; I596-F598 VanDerWaalsContact O-CE2 3.32Å; I596-F598 WeakPolarHBondContact O-CE2 3.32Å; I596-F598 PolarHBondContact O-N 3.11Å
597R27.4Very low26.2Very low20 Ų2046.1 Ų46.18%0.07526%0.262CS..  trans-77.5111.7159.1-71.3-159.7-165131.337.8109.3I394I394-R597 HydrophobicContact CD1-CB 4.28Å
598F29.3Very low26.2Very low6 Ų651.2 Ų51.23%0.02630%0.295CS..  trans-95.2106.6175-55.7-92.3000107.6I298 S299 F329 C333 P360 T364 I596I298-F598 HydrophobicContact CG2-CZ 4.22Å; S299-F598 VanDerWaalsContact CB-CE2 3.44Å; F329-F598 HydrophobicContact CD2-CE1 4.19Å; F329-F598 AromaticContact CE1-CD1 3.94Å; F329-F598 HydrophobicContact CE1-CD1 3.94Å; F329-F598 AromaticContact CE1-CE1 3.73Å; F329-F598 HydrophobicContact CE1-CE1 3.73Å; F329-F598 AromaticContact CE2-CD1 3.39Å; F329-F598 HydrophobicContact CE2-CD1 3.39Å; F329-F598 AromaticContact CE2-CE1 3.14Å; F329-F598 HydrophobicContact CE2-CE1 3.14Å; F329-F598 HydrophobicContact CE2-CZ 4.36Å; F329-F598 AromaticContact CZ-CD1 2.94Å; F329-F598 HydrophobicContact CZ-CD1 2.94Å; F329-F598 AromaticContact CZ-CE1 2.93Å; F329-F598 HydrophobicContact CZ-CE1 2.93Å; F329-F598 AromaticContact CZ-CG 4Å; F329-F598 HydrophobicContact CZ-CG 4Å; F329-F598 HydrophobicContact CZ-CZ 4.04Å; C333-F598 HydrophobicContact CB-CZ 4.34Å; C333-F598 VanDerWaalsContact SG-CE1 3.53Å; C333-F598 WeakPolarHBondContact SG-CZ 3.44Å; P360-F598 HydrophobicContact CB-CD1 3.88Å; T364-F598 HydrophobicContact CG2-CD1 4.15Å; T364-F598 HydrophobicContact CG2-CE1 3.38Å; T364-F598 HydrophobicContact CG2-CZ 4.07Å; I596-F598 HydrophobicContact CB-CD1 4.28Å; I596-F598 HydrophobicContact CB-CD2 3.68Å; I596-F598 HydrophobicContact CB-CE1 3.91Å; I596-F598 HydrophobicContact CB-CE2 3.24Å; I596-F598 HydrophobicContact CB-CG 4.35Å; I596-F598 HydrophobicContact CB-CZ 3.46Å; I596-F598 VanDerWaalsContact CB-CZ 3.46Å; I596-F598 HydrophobicContact CD1-CE1 4.01Å; I596-F598 HydrophobicContact CD1-CE2 3.95Å; I596-F598 HydrophobicContact CD1-CZ 3.39Å; I596-F598 HydrophobicContact CG1-CE1 4.35Å; I596-F598 HydrophobicContact CG1-CE2 4.17Å; I596-F598 HydrophobicContact CG1-CZ 3.94Å; I596-F598 HydrophobicContact CG2-CD1 3.3Å; I596-F598 HydrophobicContact CG2-CD2 3.35Å; I596-F598 HydrophobicContact CG2-CE1 3.29Å; I596-F598 HydrophobicContact CG2-CE2 3.35Å; I596-F598 HydrophobicContact CG2-CG 3.53Å; I596-F598 HydrophobicContact CG2-CZ 3.41Å; I596-F598 VanDerWaalsContact CG2-CZ 3.41Å; I596-F598 WeakPolarHBondContact O-CD2 3.33Å; I596-F598 VanDerWaalsContact O-CE2 3.32Å; I596-F598 WeakPolarHBondContact O-CE2 3.32Å; I596-F598 PolarHBondContact O-N 3.11Å
599K27.9Very low26.1Very low40 Ų4056.8 Ų56.817%0.17432%0.315CS..  trans-81.1129.9168.6-152.5171.8174.1-167.70107.6Q200 P360 I389 G391 S392 V601Q200-K599 VanDerWaalsContact OE1-CD 3.23Å; P360-K599 WeakPolarHBondContact CG-O 3.41Å; I389-K599 HydrophobicContact CG2-CD 4.44Å; G391-K599 PolarHBondContact O-NZ 3.33Å; G391-K599 VanDerWaalsContact O-NZ 3.1Å; S392-K599 VanDerWaalsContact CB-NZ 3.32Å; K599-V601 PolarHBondContact O-N 3.33Å
600M26.6Very low26.1Very low49 Ų4963.5 Ų63.524%0.24134%0.338CS..  trans-43.7130.8-175.3-82.8-171.1-87.300114I296I296-M600 HydrophobicContact CD1-CG 4.22Å; I296-M600 HydrophobicContact CD1-SD 4.37Å; I296-M600 HydrophobicContact CG1-CG 4.4Å
601V26.2Very low25.8Very low14 Ų1467.5 Ų67.59%0.08537%0.368CS..  trans-135.9117.9146.2179.40000105.3Y358 P360 K599 S603Y358-V601 HydrophobicContact CD2-CB 3.72Å; Y358-V601 HydrophobicContact CD2-CG1 3.78Å; Y358-V601 HydrophobicContact CE2-CB 3.91Å; Y358-V601 HydrophobicContact CE2-CG1 4.35Å; Y358-V601 WeakPolarHBondContact CE2-O 3.32Å; P360-V601 HydrophobicContact CG-CG2 4.39Å; K599-V601 PolarHBondContact O-N 3.33Å; V601-S603 PolarHBondContact O-N 3.22Å
602P25.2Very low26.1Very low23 Ų2370.9 Ų70.915%0.14939%0.387CS..  trans-73.1121.6164.8-14.831.3000108.1E194 E604E194-P602 WeakPolarHBondContact OE1-CG 3.46Å; P602-E604 PolarHBondContact O-N 3.01Å
603S25Very low26Very low13 Ų1377.7 Ų77.79%0.09142%0.419CS..  trans-72.9109.2172.355.90000109.1V601V601-S603 PolarHBondContact O-N 3.22Å
604E25.9Very low25.9Very low106 Ų10684.8 Ų84.850%0.49545%0.451SS..  trans-109.5142.8167.4-77.4-163.7151.200112P602P602-E604 PolarHBondContact O-N 3.01Å
605T24.5Very low26.2Very low140 Ų14090.7 Ų90.786%0.85948%0.481SS*.  trans-53.1126.2-168.152.90000115.3
606V25.9Very low26Very low99 Ų9994 Ų9460%0.650%0.503SS*.  trans-132.5129.5154.2-175.20000110.1
607K27.6Very low26Very low136 Ų13699.5 Ų99.559%0.59154%0.536SS*.PPolyproline II helixtrans-66.3155.5-172.8-79.1173179.8168.50113.5
608P25.1Very low25.9Very low115 Ų115105.8 Ų105.875%0.74757%0.572SS**PPolyproline II helixtrans-86.8155.6-163.135.2-35000113.5K610P608-K610 PolarHBondContact O-N 2.96Å
609N23.9Very low25.8Very low158 Ų158116.1 Ų116.185%0.84561%0.612SS**SBendtrans-60.8124.3158.2-88.7-35.1000110.1
610K25.3Very low25.8Very low194 Ų194125.9 Ų125.984%0.84365%0.648SS**SBendtrans21.9124.1155.8-68.4176.8178.6175.60118.2P608P608-K610 PolarHBondContact O-N 2.96Å
611S21.7Very low25.9Very low111 Ų111133 Ų13378%0.77668%0.68SS**  trans93138.8170.178.20000114.7
612V27Very low26Very low145 Ų145142.2 Ų142.288%0.87972%0.719SS**  trans94.1124.8-178.8-164.60000115.6
613L24.9Very low26.2Very low158 Ų158147 Ų14783%0.82775%0.753SS**  trans-78.6163.6-166.1-74.2135000113.8
614Q24.4Very low26.4Very low164 Ų164150.2 Ų150.277%0.76678%0.781SS**  trans-34155.7173.2-67.3168.6-57.600117.3
615L28.6Very low26.7Very low159 Ų159152.6 Ų152.683%0.83280%0.797SS**  -167.7108.6115.9-96.6149.5000111.3V617L615-V617 PolarHBondContact O-N 3.12Å
616D24.6Very low27.1Very low123 Ų123150.4 Ų150.466%0.65879%0.793SS**  trans-71112.5156.3-73.1-39.8000106.5N618D616-N618 PolarHBondContact O-N 3.06Å; D616-N618 VanDerWaalsContact O-N 3.13Å
617V28.7Very low27.3Very low116 Ų116150.9 Ų150.970%0.70380%0.798SS**  trans-79.995.8177.9-178.70000108.7L615L615-V617 PolarHBondContact O-N 3.12Å
618N26Very low27.3Very low153 Ų153151.6 Ų151.682%0.81881%0.808SS**  trans-78117.9153.8-84.9-28.8000108.1D616 R620D616-N618 PolarHBondContact O-N 3.06Å; D616-N618 VanDerWaalsContact O-N 3.13Å; N618-R620 PolarHBondContact O-N 3.26Å; N618-R620 VanDerWaalsContact O-N 3.14Å
619Y27Very low27.8Very low222 Ų222154.4 Ų154.487%0.87182%0.815SS**  trans-53.3114.3170.5-76.4-92.3000110.9
620R27.7Very low27.9Very low246 Ų246151.5 Ų151.593%0.92881%0.807SS**  trans-144138.9151.9-92.5-170.2176.9170.5-0.8109.9N618N618-R620 PolarHBondContact O-N 3.26Å; N618-R620 VanDerWaalsContact O-N 3.14Å
621E29.7Very low28.2Very low198 Ų198150.6 Ų150.693%0.92581%0.811SS**  trans-61.3157.9-168.9-65.7171.8137.400115.1
622K26.5Very low28.4Very low208 Ų208154 Ų15490%0.90481%0.814SS**  trans-46.3145.7-177.4-63.6170.9174.5176.20116.1
623S29.6Very low28.6Very low122 Ų122152.8 Ų152.885%0.85381%0.807SS**  -159.7138.4124.9690000112.1
624A29.3Very low28.9Very low81 Ų81151 Ų15167%0.66981%0.808SS**  trans-68.6150.1-175.400000115.3
625N33.4Very low29.3Very low156 Ų156149.6 Ų149.683%0.83481%0.806SS**  161.4104.2126.2-80.8-19.5000113.6
626A31.4Very low29.5Very low94 Ų94150.6 Ų150.678%0.77781%0.806SS**  trans65.7171.2132.900000121.1
627P32Very low29.8Very low109 Ų109152.6 Ų152.671%0.70882%0.817SS**  -133.5171.6-78.838.6-21000115.1
628D27.6Very low30.1Very low152 Ų152152.5 Ų152.581%0.81382%0.816SS**  trans47.2124.5153.3-56.1-20.4000122.2
629I34.1Very low30.6Very low173 Ų173148.9 Ų148.989%0.88780%0.803SS**  -157.5130.9125.8-85.9137.3000108.8
630S27.1Very low31.2Very low97 Ų97144 Ų14468%0.67879%0.789SS**  trans-75.7150.6-174.446.80000114.7
631L31.6Very low31.4Very low176 Ų176138.9 Ų138.992%0.92178%0.78SS**  trans-144.9124.9148.1-98.1163.7000109.1
632H25.7Very low31.5Very low181 Ų181138 Ų13884%0.83878%0.781SS**  trans-61.9126.8-174.2-73.8-84000114.1
633T31.6Very low32Very low121 Ų121135.3 Ų135.374%0.74281%0.812SS**  trans-138.9118.2141.8490000107.5D635T633-D635 PolarHBondContact O-N 3.4Å
634S29.3Very low32.1Very low121 Ų121136 Ų13685%0.84681%0.81SS**  trans-6992171.750.20000109.1
635D33.3Very low32.2Very low134 Ų134138.8 Ų138.872%0.71782%0.818SS**  trans-122.9129.3161.8-77.5-35000106.8T633 D637T633-D635 PolarHBondContact O-N 3.4Å; D635-D637 PolarHBondContact O-N 3.05Å
636E34Very low32.2Very low180 Ų180137.9 Ų137.984%0.84182%0.817SS**  trans-57.8108-173.8-63.9178.9155.900111.3V638E636-V638 VanDerWaalsContact C-N 3.29Å; E636-V638 PolarHBondContact O-N 3.48Å
637D29.2Very low32.2Very low165 Ų165140.5 Ų140.588%0.88282%0.819SS**  trans-63.290.5163.2-79-38.2000108.9D635 S639D635-D637 PolarHBondContact O-N 3.05Å; D637-S639 VanDerWaalsContact C-N 3.28Å; D637-S639 PolarHBondContact O-N 3.29Å; D637-S639 VanDerWaalsContact O-N 3.16Å
638V36Very low32.2Very low114 Ų114142.4 Ų142.469%0.69183%0.826SS**  trans-79.487.7159.2-177.10000106.6E636 M640E636-V638 VanDerWaalsContact C-N 3.29Å; E636-V638 PolarHBondContact O-N 3.48Å; V638-M640 PolarHBondContact O-N 3.12Å
639S36.8Very low32.6Very low76 Ų76141.8 Ų141.853%0.53183%0.827SS.*  trans-52.7128.2156.551.60000108D637 D641D637-S639 VanDerWaalsContact C-N 3.28Å; D637-S639 PolarHBondContact O-N 3.29Å; D637-S639 VanDerWaalsContact O-N 3.16Å; S639-D641 PolarHBondContact O-N 3.48Å; S639-D641 PolarHBondContact OG-OD1 3.06Å; S639-D641 VanDerWaalsContact OG-OD1 3.12Å
640M38.6Very low32.4Very low119 Ų119139.6 Ų139.659%0.58682%0.823SS**  trans-68.482.8169.7-75.9-171.1-65.200108.2V638 L642V638-M640 PolarHBondContact O-N 3.12Å; M640-L642 PolarHBondContact O-N 3.39Å
641D33.4Very low32.9Very low139 Ų139142.8 Ų142.874%0.74383%0.834SS**  trans-66.1118.7172.5-74.9-6.2000108.8S639 G643S639-D641 PolarHBondContact O-N 3.48Å; S639-D641 PolarHBondContact OG-OD1 3.06Å; S639-D641 VanDerWaalsContact OG-OD1 3.12Å; D641-G643 PolarHBondContact O-N 3.18Å
642L31.2Very low33Very low180 Ų180140.1 Ų140.194%0.94283%0.826SS**  trans-63.7113.9170.5-73.6155.3000108.5M640M640-L642 PolarHBondContact O-N 3.39Å
643G36.3Very low33.6Very low151 Ų151136.4 Ų136.4100%1.55783%0.825SS**  trans-138.40171.300000110.6D641D641-G643 PolarHBondContact O-N 3.18Å

Retrieved 643 of 643 residues in 217 ms (Link to these results)

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