A0A024R8C8_HUMAN Loading...

TBC1 domain family member 13

Acts as a GTPase-activating protein for RAB35. Together with RAB35 may be involved in regulation of insulin-induced glucose transporter SLC2A4/GLUT4 translocation to the plasma membrane in adipocytes.

AlphaFold DB (Q9NVG8), UniProt , Accession A0A024R8C8, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 400 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
1M62.9Low88.2Confident142 Ų14280.9 Ų80.970%0.745%0.446SS*.  0116.60-153.4-173.8-79.200108.4H5 K6 I9 E37M1-H5 HydrophobicContact CG-CB 4.22Å; M1-H5 WeakPolarHBondContact CG-CD2 3.44Å; M1-K6 HydrophobicContact CG-CG 4.19Å; M1-K6 HydrophobicContact SD-CG 3.83Å; M1-I9 HydrophobicContact SD-CD1 3.96Å; M1-E37 HydrophobicContact CE-CG 4.14Å
2S80.8Confident89Confident69 Ų6974.2 Ų74.248%0.48341%0.409SS..  trans-69.3159.1-175.469.50000111.9L4 H5 K6S2-L4 VanDerWaalsContact C-N 3.28Å; S2-L4 PolarHBondContact O-N 3.01Å; S2-H5 PolarHBondContact O-N 3.26Å; S2-H5 WeakPolarHBondContact OG-CB 3.35Å; S2-H5 PolarHBondContact OG-N 3.47Å; S2-K6 PolarHBondContact O-N 3.32Å; S2-K6 VanDerWaalsContact O-N 3.13Å
3S86.2Confident89.5Confident107 Ų10774.2 Ų74.275%0.74840%0.404SS*.Hα-helixtrans-52.8-46.2174.3169.40000112.1H5 K6 S7S3-H5 PolarHBondContact O-N 3.48Å; S3-K6 PolarHBondContact O-N 2.94Å; S3-S7 PolarHBondContact O-N 3.37Å
4L88.2Confident89.9Confident142 Ų14275.1 Ų75.174%0.74341%0.408SS*.Hα-helixtrans-60.7-43.6178.7-74.1157.6000112.1S2 K6 S7 R8S2-L4 VanDerWaalsContact C-N 3.28Å; S2-L4 PolarHBondContact O-N 3.01Å; L4-K6 PolarHBondContact O-N 3.37Å; L4-S7 WeakPolarHBondContact O-CB 3.47Å; L4-S7 PolarHBondContact O-N 2.9Å; L4-R8 PolarHBondContact O-N 2.92Å
5H89.2Confident90.4Very high52 Ų5270.1 Ų70.124%0.24138%0.381CS..Hα-helixtrans-64.7-40.5179.1-16876.7000112.4M1 S2 S3 R8 I9 E37M1-H5 HydrophobicContact CG-CB 4.22Å; M1-H5 WeakPolarHBondContact CG-CD2 3.44Å; S2-H5 PolarHBondContact O-N 3.26Å; S2-H5 WeakPolarHBondContact OG-CB 3.35Å; S2-H5 PolarHBondContact OG-N 3.47Å; S3-H5 PolarHBondContact O-N 3.48Å; H5-R8 PolarHBondContact O-N 3.03Å; H5-I9 WeakPolarHBondContact O-CG1 3.36Å; H5-I9 PolarHBondContact O-N 2.73Å; H5-E37 IonicContact CD2-OE1 3.83Å; H5-E37 IonicContact CE1-OE1 2.67Å; H5-E37 IonicContact CE1-OE2 3.36Å; H5-E37 PolarHBondContact CE1-OE2 3.23Å; H5-E37 IonicContact NE2-OE1 3.3Å; H5-E37 PolarHBondContact NE2-OE1 3.01Å; H5-E37 IonicContact NE2-OE2 3.67Å; H5-E37 PolarHBondContact NE2-OE2 3Å
6K90.9Very high90.8Very high127 Ų12766.3 Ų66.355%0.55236%0.36SS*.Hα-helixtrans-63.9-41.1174.8-69.7-176.9-179.6-1750112M1 S2 S3 L4 I9 A10M1-K6 HydrophobicContact CG-CG 4.19Å; M1-K6 HydrophobicContact SD-CG 3.83Å; S2-K6 PolarHBondContact O-N 3.32Å; S2-K6 VanDerWaalsContact O-N 3.13Å; S3-K6 PolarHBondContact O-N 2.94Å; L4-K6 PolarHBondContact O-N 3.37Å; K6-I9 PolarHBondContact O-N 3.22Å; K6-A10 PolarHBondContact O-N 3.33Å
7S93.1Very high91Very high62 Ų6269.3 Ų69.343%0.43437%0.369SS..Hα-helixtrans-59.9-47.7174.8-1650000110.7S3 L4 I9 A10 D11S3-S7 PolarHBondContact O-N 3.37Å; L4-S7 WeakPolarHBondContact O-CB 3.47Å; L4-S7 PolarHBondContact O-N 2.9Å; S7-I9 VanDerWaalsContact C-N 3.35Å; S7-I9 PolarHBondContact O-N 3.13Å; S7-A10 WeakPolarHBondContact O-CA 3.45Å; S7-A10 WeakPolarHBondContact O-CB 3.43Å; S7-A10 PolarHBondContact O-N 3.23Å; S7-D11 VanDerWaalsContact O-CG 3.26Å; S7-D11 PolarHBondContact O-N 3.39Å
8R93.7Very high91.3Very high67 Ų6769.1 Ų69.125%0.25337%0.366SS..Hα-helixtrans-58.8-45.1178.5-170.5175.8-177784111.9L4 H5 A10 D11 F12 L29 S32 G33 P35L4-R8 PolarHBondContact O-N 2.92Å; H5-R8 PolarHBondContact O-N 3.03Å; R8-A10 VanDerWaalsContact C-N 3.29Å; R8-A10 PolarHBondContact O-N 3.01Å; R8-D11 PolarHBondContact O-N 3.02Å; R8-F12 HydrophobicContact CG-CD2 4.23Å; R8-F12 HydrophobicContact CG-CE2 4.06Å; R8-F12 WeakPolarHBondContact O-CD2 3.39Å; R8-F12 PolarHBondContact O-N 3.23Å; R8-L29 PolarHBondContact NH2-O 3.1Å; R8-S32 VanDerWaalsContact NH2-C 3.3Å; R8-G33 PolarHBondContact NE-O 3.41Å; R8-G33 PolarHBondContact NH2-O 3.19Å; R8-P35 HydrophobicContact CG-CG 4.21Å
9I94.9Very high91.6Very high21 Ų2171.3 Ų71.311%0.10838%0.384CS..Hα-helixtrans-58.2-43.3174.8-71.1170000111M1 H5 K6 S7 F12 Q13 P35 E37 L40M1-I9 HydrophobicContact SD-CD1 3.96Å; H5-I9 WeakPolarHBondContact O-CG1 3.36Å; H5-I9 PolarHBondContact O-N 2.73Å; K6-I9 PolarHBondContact O-N 3.22Å; S7-I9 VanDerWaalsContact C-N 3.35Å; S7-I9 PolarHBondContact O-N 3.13Å; I9-F12 PolarHBondContact O-N 3.05Å; I9-Q13 HydrophobicContact CG2-CG 4.42Å; I9-Q13 VanDerWaalsContact O-CG 3.32Å; I9-Q13 WeakPolarHBondContact O-CG 3.33Å; I9-Q13 PolarHBondContact O-N 3.25Å; I9-P35 HydrophobicContact CG1-CB 3.84Å; I9-P35 HydrophobicContact CG1-CG 3.97Å; I9-E37 HydrophobicContact CD1-CB 4.15Å; I9-E37 HydrophobicContact CD1-CG 4.5Å; I9-L40 HydrophobicContact CG1-CD1 4.4Å; I9-L40 HydrophobicContact CG2-CD1 4.15Å
10A95Very high91.9Very high36 Ų3671 Ų7130%0.29839%0.388SS..Hα-helixtrans-62.3-43.817800000111.5K6 S7 R8 F12 Q13 D14K6-A10 PolarHBondContact O-N 3.33Å; S7-A10 WeakPolarHBondContact O-CA 3.45Å; S7-A10 WeakPolarHBondContact O-CB 3.43Å; S7-A10 PolarHBondContact O-N 3.23Å; R8-A10 VanDerWaalsContact C-N 3.29Å; R8-A10 PolarHBondContact O-N 3.01Å; A10-F12 VanDerWaalsContact C-N 3.34Å; A10-F12 PolarHBondContact O-N 3.34Å; A10-Q13 PolarHBondContact O-N 2.86Å; A10-Q13 VanDerWaalsContact O-N 3.1Å; A10-D14 VanDerWaalsContact O-CG 3.29Å; A10-D14 PolarHBondContact O-N 3.1Å
11D95.6Very high92.1Very high65 Ų6567.8 Ų67.835%0.34837%0.37SS..Hα-helixtrans-58.3-44.5178.8-60.6-34.6000111.9S7 R8 D14 V15 L29S7-D11 VanDerWaalsContact O-CG 3.26Å; S7-D11 PolarHBondContact O-N 3.39Å; R8-D11 PolarHBondContact O-N 3.02Å; D11-D14 PolarHBondContact O-N 3.36Å; D11-V15 WeakPolarHBondContact O-CG2 3.08Å; D11-V15 PolarHBondContact O-N 3.44Å; D11-L29 HydrophobicContact CB-CD1 4.22Å; D11-L29 HydrophobicContact CB-CD2 4.12Å
12F97.1Very high93.8Very high0 Ų062.9 Ų62.90%035%0.353CS..Hα-helixtrans-63-45.9174.1-86.3-86.3000112R8 I9 A10 D14 V15 L16 L26 L29 I34 P35 L40R8-F12 HydrophobicContact CG-CD2 4.23Å; R8-F12 HydrophobicContact CG-CE2 4.06Å; R8-F12 WeakPolarHBondContact O-CD2 3.39Å; R8-F12 PolarHBondContact O-N 3.23Å; I9-F12 PolarHBondContact O-N 3.05Å; A10-F12 VanDerWaalsContact C-N 3.34Å; A10-F12 PolarHBondContact O-N 3.34Å; F12-D14 VanDerWaalsContact C-N 3.27Å; F12-D14 PolarHBondContact O-N 3.4Å; F12-V15 PolarHBondContact O-N 3.17Å; F12-L16 WeakPolarHBondContact O-CB 3.41Å; F12-L16 WeakPolarHBondContact O-CD1 3.32Å; F12-L16 WeakPolarHBondContact O-CG 3.29Å; F12-L16 PolarHBondContact O-N 3.2Å; F12-L26 HydrophobicContact CD1-CD1 4.23Å; F12-L26 HydrophobicContact CE1-CD1 4.34Å; F12-L29 HydrophobicContact CD1-CB 4.44Å; F12-L29 HydrophobicContact CD2-CB 4.48Å; F12-L29 HydrophobicContact CE1-CB 3.91Å; F12-L29 HydrophobicContact CE2-CB 3.94Å; F12-L29 VanDerWaalsContact CZ-C 3.48Å; F12-L29 HydrophobicContact CZ-CB 3.65Å; F12-L29 WeakPolarHBondContact CZ-O 3.46Å; F12-I34 HydrophobicContact CD1-CG2 4.46Å; F12-I34 HydrophobicContact CE1-CB 4.42Å; F12-I34 HydrophobicContact CE1-CG1 3.95Å; F12-I34 HydrophobicContact CE1-CG2 4Å; F12-I34 HydrophobicContact CZ-CB 4.29Å; F12-I34 HydrophobicContact CZ-CG1 3.98Å; F12-I34 HydrophobicContact CZ-CG2 4.2Å; F12-P35 HydrophobicContact CD2-CG 4.09Å; F12-P35 VanDerWaalsContact CE2-CD 3.42Å; F12-P35 HydrophobicContact CE2-CG 4.17Å; F12-L40 HydrophobicContact CB-CD1 3.97Å; F12-L40 HydrophobicContact CB-CD2 4.21Å
13Q95.7Very high94.5Very high75 Ų7561.7 Ų61.735%0.3534%0.34SS..Hα-helixtrans-62.3-37.3-179.8-74.9-179.12.800112.2I9 A10 K17 L40I9-Q13 HydrophobicContact CG2-CG 4.42Å; I9-Q13 VanDerWaalsContact O-CG 3.32Å; I9-Q13 WeakPolarHBondContact O-CG 3.33Å; I9-Q13 PolarHBondContact O-N 3.25Å; A10-Q13 PolarHBondContact O-N 2.86Å; A10-Q13 VanDerWaalsContact O-N 3.1Å; Q13-K17 VanDerWaalsContact O-CB 3.31Å; Q13-K17 WeakPolarHBondContact O-CB 3.41Å; Q13-K17 VanDerWaalsContact O-CD 3.29Å; Q13-K17 WeakPolarHBondContact O-CD 3.2Å; Q13-K17 WeakPolarHBondContact O-CG 3.48Å; Q13-K17 PolarHBondContact O-N 3.29Å; Q13-L40 HydrophobicContact CG-CD2 4.14Å
14D96Very high95Very high86 Ų8662.3 Ų62.346%0.4633%0.332SS..Hα-helixtrans-66.5-45.6-180-71.4-12.7000110.6A10 D11 F12 K17A10-D14 VanDerWaalsContact O-CG 3.29Å; A10-D14 PolarHBondContact O-N 3.1Å; D11-D14 PolarHBondContact O-N 3.36Å; F12-D14 VanDerWaalsContact C-N 3.27Å; F12-D14 PolarHBondContact O-N 3.4Å; D14-K17 PolarHBondContact O-N 3.03Å
15V96.9Very high95.4Very high0 Ų060 Ų600%032%0.315CS..Hα-helixtrans-62.1-45.6175.21750000111.7D11 F12 K17 E18 I21 K25 L26 L29D11-V15 WeakPolarHBondContact O-CG2 3.08Å; D11-V15 PolarHBondContact O-N 3.44Å; F12-V15 PolarHBondContact O-N 3.17Å; V15-K17 PolarHBondContact O-N 3.28Å; V15-E18 WeakPolarHBondContact O-CB 3.36Å; V15-E18 PolarHBondContact O-N 3.38Å; V15-I21 HydrophobicContact CG1-CG2 3.97Å; V15-K25 HydrophobicContact CG2-CB 4.48Å; V15-K25 HydrophobicContact CG2-CD 3.54Å; V15-K25 HydrophobicContact CG2-CG 3.8Å; V15-L26 HydrophobicContact CG1-CB 4.13Å; V15-L26 HydrophobicContact CG1-CD1 4.4Å; V15-L29 HydrophobicContact CG2-CD1 3.85Å
16L96Very high95.8Very high9 Ų957.5 Ų57.55%0.04730%0.304CS..Hα-helixtrans-73.2-12.8-177.8-65.6168.5000113.3F12 I21 L26 L40 L43 I47 R56F12-L16 WeakPolarHBondContact O-CB 3.41Å; F12-L16 WeakPolarHBondContact O-CD1 3.32Å; F12-L16 WeakPolarHBondContact O-CG 3.29Å; F12-L16 PolarHBondContact O-N 3.2Å; L16-I21 HydrophobicContact CD2-CD1 4.21Å; L16-L26 HydrophobicContact CD2-CD1 4Å; L16-L26 HydrophobicContact CD2-CD2 4.44Å; L16-L26 HydrophobicContact CG-CD1 4.46Å; L16-L40 HydrophobicContact CD1-CD2 3.71Å; L16-L43 HydrophobicContact CB-CD2 4.36Å; L16-L43 HydrophobicContact CD1-CD2 4.15Å; L16-L43 HydrophobicContact CD2-CD2 4.19Å; L16-L43 HydrophobicContact CD2-CG 4.28Å; L16-L43 HydrophobicContact CG-CD2 4.47Å; L16-I47 HydrophobicContact CD2-CD1 3.59Å; L16-R56 WeakPolarHBondContact O-CD 3.31Å; L16-R56 PolarHBondContact O-NE 2.79Å
17K95.4Very high96.2Very high118 Ų11852.8 Ų52.851%0.51328%0.283SS..Hα-helixtrans-86.5-17.3174.6-78.1166.7-165.4162.30112.9Q13 D14 V15 R56Q13-K17 VanDerWaalsContact O-CB 3.31Å; Q13-K17 WeakPolarHBondContact O-CB 3.41Å; Q13-K17 VanDerWaalsContact O-CD 3.29Å; Q13-K17 WeakPolarHBondContact O-CD 3.2Å; Q13-K17 WeakPolarHBondContact O-CG 3.48Å; Q13-K17 PolarHBondContact O-N 3.29Å; D14-K17 PolarHBondContact O-N 3.03Å; V15-K17 PolarHBondContact O-N 3.28Å; K17-R56 VanDerWaalsContact C-NH1 3.3Å; K17-R56 PolarHBondContact O-NH1 2.94Å
18E96.3Very high96.3Very high66 Ų6656.9 Ų56.931%0.30830%0.295SS..SBendtrans-61.4138.9-179.9-67.5176.2-162.600111.3V15 S20 R56V15-E18 WeakPolarHBondContact O-CB 3.36Å; V15-E18 PolarHBondContact O-N 3.38Å; E18-S20 WeakPolarHBondContact CB-O 3.29Å; E18-S20 PolarHBondContact O-N 3.23Å; E18-R56 WeakPolarHBondContact O-CD 3.45Å
19P96.5Very high96.5Very high110 Ų11055 Ų5571%0.71429%0.29SS*.SBendtrans-58.6-35.3-179.7-25.133.8000113.9R56P19-R56 PolarHBondContact O-N 3.39Å
20S97.4Very high96.6Very high66 Ų6654 Ų5446%0.46228%0.284SS..BIsolated β-bridgetrans-121.4119.6167.8179.20000106.9E18 L54E18-S20 WeakPolarHBondContact CB-O 3.29Å; E18-S20 PolarHBondContact O-N 3.23Å; S20-L54 WeakPolarHBondContact CA-O 3.45Å
21I97.4Very high96.7Very high3 Ų354 Ų542%0.01528%0.278CS..  trans-77.6125.3-171.5-63.8175.9000109.8V15 L16 L23 L26 I47 L54 R56 W59V15-I21 HydrophobicContact CG1-CG2 3.97Å; L16-I21 HydrophobicContact CD2-CD1 4.21Å; I21-L23 PolarHBondContact O-N 2.72Å; I21-L26 HydrophobicContact CG2-CB 4.49Å; I21-L26 HydrophobicContact CG2-CD2 4.21Å; I21-I47 HydrophobicContact CD1-CD1 3.53Å; I21-L54 PolarHBondContact N-O 3.46Å; I21-R56 HydrophobicContact CD1-CG 4.07Å; I21-R56 HydrophobicContact CG1-CG 4.14Å; I21-W59 HydrophobicContact CD1-CH2 3.63Å; I21-W59 HydrophobicContact CD1-CZ2 3.44Å; I21-W59 VanDerWaalsContact CD1-CZ2 3.44Å
22A97Very high96.6Very high40 Ų4054.5 Ų54.533%0.33129%0.286SS..  trans-67.193172.200000111.3E24 K25 L26A22-E24 PolarHBondContact O-N 3.2Å; A22-K25 HydrophobicContact CB-CB 4.11Å; A22-K25 PolarHBondContact O-N 3.16Å; A22-L26 PolarHBondContact O-N 2.87Å
23L96.8Very high96.6Very high43 Ų4354.8 Ų54.823%0.22529%0.29CS..Hα-helixtrans-55.6-45.6-175.1-178.459.8000112.9I21 K25 L26 R27 I47 L48 L54I21-L23 PolarHBondContact O-N 2.72Å; L23-K25 VanDerWaalsContact C-N 3.31Å; L23-K25 PolarHBondContact O-N 3.44Å; L23-L26 CarbonylContact O-C 3.28Å; L23-L26 WeakPolarHBondContact O-CB 3.45Å; L23-L26 PolarHBondContact O-N 3.5Å; L23-L26 VanDerWaalsContact O-N 3.1Å; L23-R27 HydrophobicContact CD1-CG 4.23Å; L23-R27 HydrophobicContact CG-CG 4.36Å; L23-R27 WeakPolarHBondContact O-CG 3.36Å; L23-R27 PolarHBondContact O-N 3.28Å; L23-I47 HydrophobicContact CD1-CG2 4.42Å; L23-L48 HydrophobicContact CD1-CD2 4.14Å; L23-L54 HydrophobicContact CB-CD1 4.06Å; L23-L54 HydrophobicContact CB-CD2 3.98Å; L23-L54 HydrophobicContact CD1-CD2 4.17Å; L23-L54 HydrophobicContact CG-CD2 4.44Å
24E96.8Very high96.6Very high121 Ų12151.5 Ų51.557%0.56527%0.274SS*.Hα-helixtrans-57.7-43.8179.3-64.3-52.1127.200112.5A22 R27 E28A22-E24 PolarHBondContact O-N 3.2Å; E24-R27 WeakPolarHBondContact O-CB 2.89Å; E24-R27 PolarHBondContact O-N 3.27Å; E24-E28 PolarHBondContact O-N 2.83Å
25K96.6Very high96.6Very high92 Ų9247.7 Ų47.740%0.425%0.254SS..Hα-helixtrans-68.3-38.1177.6-171.2175.1170.2-167.10111.2V15 A22 L23 R27 E28 L29V15-K25 HydrophobicContact CG2-CB 4.48Å; V15-K25 HydrophobicContact CG2-CD 3.54Å; V15-K25 HydrophobicContact CG2-CG 3.8Å; A22-K25 HydrophobicContact CB-CB 4.11Å; A22-K25 PolarHBondContact O-N 3.16Å; L23-K25 VanDerWaalsContact C-N 3.31Å; L23-K25 PolarHBondContact O-N 3.44Å; K25-R27 VanDerWaalsContact C-N 3.33Å; K25-E28 PolarHBondContact O-N 3.28Å; K25-L29 HydrophobicContact CG-CD1 4.42Å; K25-L29 WeakPolarHBondContact O-CB 3.31Å; K25-L29 VanDerWaalsContact O-CG 3.29Å; K25-L29 WeakPolarHBondContact O-CG 3.24Å; K25-L29 PolarHBondContact O-N 2.91Å
26L97.7Very high96.1Very high0 Ų052 Ų520%028%0.284CS..Hα-helixtrans-63-41.4174.4-176.265.2000111.4F12 V15 L16 I21 A22 L23 S30 I47 L48F12-L26 HydrophobicContact CD1-CD1 4.23Å; F12-L26 HydrophobicContact CE1-CD1 4.34Å; V15-L26 HydrophobicContact CG1-CB 4.13Å; V15-L26 HydrophobicContact CG1-CD1 4.4Å; L16-L26 HydrophobicContact CD2-CD1 4Å; L16-L26 HydrophobicContact CD2-CD2 4.44Å; L16-L26 HydrophobicContact CG-CD1 4.46Å; I21-L26 HydrophobicContact CG2-CB 4.49Å; I21-L26 HydrophobicContact CG2-CD2 4.21Å; A22-L26 PolarHBondContact O-N 2.87Å; L23-L26 CarbonylContact O-C 3.28Å; L23-L26 WeakPolarHBondContact O-CB 3.45Å; L23-L26 PolarHBondContact O-N 3.5Å; L23-L26 VanDerWaalsContact O-N 3.1Å; L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 3.5Å; L26-S30 PolarHBondContact O-OG 3.5Å; L26-I47 HydrophobicContact CD2-CB 4.07Å; L26-I47 HydrophobicContact CD2-CD1 4.05Å; L26-I47 HydrophobicContact CD2-CG2 3.76Å; L26-L48 HydrophobicContact CD2-CD2 4.49Å
27R97.7Very high95.7Very high29 Ų2955 Ų5511%0.10930%0.298CS..Hα-helixtrans-62.3-51175.8-74.1-176.9176-81.411.5111.2L23 E24 K25 L29 S30 F31 L48 F342 A343 D344 D345L23-R27 HydrophobicContact CD1-CG 4.23Å; L23-R27 HydrophobicContact CG-CG 4.36Å; L23-R27 WeakPolarHBondContact O-CG 3.36Å; L23-R27 PolarHBondContact O-N 3.28Å; E24-R27 WeakPolarHBondContact O-CB 2.89Å; E24-R27 PolarHBondContact O-N 3.27Å; K25-R27 VanDerWaalsContact C-N 3.33Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 2.68Å; R27-S30 PolarHBondContact O-N 3.35Å; R27-S30 VanDerWaalsContact O-N 3.16Å; R27-F31 WeakPolarHBondContact O-CB 3.48Å; R27-F31 PolarHBondContact O-N 3.18Å; R27-L48 HydrophobicContact CG-CD2 3.87Å; R27-F342 PolarHBondContact NH1-O 3.01Å; R27-F342 VanDerWaalsContact NH1-O 3.12Å; R27-A343 VanDerWaalsContact CB-O 3.25Å; R27-A343 WeakPolarHBondContact CB-O 3.17Å; R27-A343 VanDerWaalsContact CD-O 3.25Å; R27-A343 WeakPolarHBondContact CD-O 3.36Å; R27-A343 WeakPolarHBondContact CG-O 3.43Å; R27-A343 PolarHBondContact NH1-O 3.2Å; R27-A343 WeakPolarHBondContact O-CB 3.41Å; R27-D344 VanDerWaalsContact NH1-C 3.35Å; R27-D344 PolarHBondContact NH1-O 2.91Å; R27-D344 VanDerWaalsContact NH1-O 3.11Å; R27-D345 WeakPolarHBondContact CD-OD1 3.5Å; R27-D345 IonicContact CZ-OD1 2.85Å; R27-D345 IonicContact NE-OD1 3.55Å; R27-D345 PolarHBondContact NE-OD1 3.34Å; R27-D345 IonicContact NH1-OD1 3.47Å; R27-D345 IonicContact NH2-OD1 3.23Å; R27-D345 PolarHBondContact NH2-OD1 3.3Å
28E96.6Very high95.2Very high148 Ų14852.3 Ų52.369%0.69230%0.304SS*.Hα-helixtrans-55.2-48.2177.7-173.8-175.1177.100111.7E24 K25E24-E28 PolarHBondContact O-N 2.83Å; K25-E28 PolarHBondContact O-N 3.28Å
29L96.8Very high95Very high26 Ų2649.7 Ų49.714%0.13629%0.294CS..Hα-helixtrans-62.9-46.7177.3-71.1175.3000111.6R8 D11 F12 V15 K25 R27 F31R8-L29 PolarHBondContact NH2-O 3.1Å; D11-L29 HydrophobicContact CB-CD1 4.22Å; D11-L29 HydrophobicContact CB-CD2 4.12Å; F12-L29 HydrophobicContact CD1-CB 4.44Å; F12-L29 HydrophobicContact CD2-CB 4.48Å; F12-L29 HydrophobicContact CE1-CB 3.91Å; F12-L29 HydrophobicContact CE2-CB 3.94Å; F12-L29 VanDerWaalsContact CZ-C 3.48Å; F12-L29 HydrophobicContact CZ-CB 3.65Å; F12-L29 WeakPolarHBondContact CZ-O 3.46Å; V15-L29 HydrophobicContact CG2-CD1 3.85Å; K25-L29 HydrophobicContact CG-CD1 4.42Å; K25-L29 WeakPolarHBondContact O-CB 3.31Å; K25-L29 VanDerWaalsContact O-CG 3.29Å; K25-L29 WeakPolarHBondContact O-CG 3.24Å; K25-L29 PolarHBondContact O-N 2.91Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 2.68Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.04Å
30S97.5Very high95Very high0 Ų045 Ų450%026%0.262CS..Hα-helixtrans-67.3-31.6-176.6-59.50000112.7L26 R27 S32 G33L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 3.5Å; L26-S30 PolarHBondContact O-OG 3.5Å; R27-S30 PolarHBondContact O-N 3.35Å; R27-S30 VanDerWaalsContact O-N 3.16Å; S30-S32 VanDerWaalsContact C-N 3.25Å; S30-S32 PolarHBondContact O-N 2.93Å; S30-G33 WeakPolarHBondContact O-CA 3.37Å; S30-G33 PolarHBondContact O-N 2.97Å
31F97Very high95Very high37 Ų3743.6 Ų43.616%0.16225%0.247CC..Hα-helixtrans-59.5-34.3-176.3-171.9-93.7000113R27 L29 G33 R336 S340 A343 D344 F350 K394R27-F31 WeakPolarHBondContact O-CB 3.48Å; R27-F31 PolarHBondContact O-N 3.18Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.04Å; F31-G33 VanDerWaalsContact C-N 3.27Å; F31-G33 PolarHBondContact O-N 3.34Å; F31-R336 PolarHBondContact O-NH2 3.37Å; F31-S340 PolarHBondContact O-OG 3.36Å; F31-A343 HydrophobicContact CB-CB 3.98Å; F31-A343 HydrophobicContact CD2-CB 4.39Å; F31-D344 HydrophobicContact CE2-CB 4.37Å; F31-F350 HydrophobicContact CE2-CD1 4.22Å; F31-F350 AromaticContact CE2-CE1 3.75Å; F31-F350 HydrophobicContact CE2-CE1 3.75Å; F31-F350 HydrophobicContact CE2-CE2 4.23Å; F31-F350 AromaticContact CE2-CZ 3.77Å; F31-F350 HydrophobicContact CE2-CZ 3.77Å; F31-F350 AromaticContact CZ-CE1 3.92Å; F31-F350 HydrophobicContact CZ-CE1 3.92Å; F31-F350 AromaticContact CZ-CE2 3.89Å; F31-F350 HydrophobicContact CZ-CE2 3.89Å; F31-F350 AromaticContact CZ-CZ 3.46Å; F31-F350 HydrophobicContact CZ-CZ 3.46Å; F31-F350 VanDerWaalsContact CZ-CZ 3.46Å; F31-K394 HydrophobicContact CE1-CB 4.31Å; F31-K394 HydrophobicContact CE1-CD 3.98Å; F31-K394 HydrophobicContact CE1-CG 4.07Å; F31-K394 HydrophobicContact CZ-CB 4.37Å; F31-K394 HydrophobicContact CZ-CD 3.93Å; F31-K394 HydrophobicContact CZ-CG 4.35Å
32S94.1Very high95Very high75 Ų7543.6 Ų43.652%0.52425%0.248SC..THydrogen-bonded Turntrans-86.39.6175.8-57.60000114.3R8 S30 R336R8-S32 VanDerWaalsContact NH2-C 3.3Å; S30-S32 VanDerWaalsContact C-N 3.25Å; S30-S32 PolarHBondContact O-N 2.93Å; S32-R336 PolarHBondContact O-NH2 2.85Å
33G96.1Very high94.9Very high7 Ų743.3 Ų43.37%0.07224%0.24CC..  trans102.1133.5177.400000112.9R8 S30 F31R8-G33 PolarHBondContact NE-O 3.41Å; R8-G33 PolarHBondContact NH2-O 3.19Å; S30-G33 WeakPolarHBondContact O-CA 3.37Å; S30-G33 PolarHBondContact O-N 2.97Å; F31-G33 VanDerWaalsContact C-N 3.27Å; F31-G33 PolarHBondContact O-N 3.34Å
34I97.1Very high95Very high5 Ų541.3 Ų41.33%0.02623%0.23CC..  trans-88.8136.5-177.5-58161.7000108.6F12 L40 R41 C44 D339F12-I34 HydrophobicContact CD1-CG2 4.46Å; F12-I34 HydrophobicContact CE1-CB 4.42Å; F12-I34 HydrophobicContact CE1-CG1 3.95Å; F12-I34 HydrophobicContact CE1-CG2 4Å; F12-I34 HydrophobicContact CZ-CB 4.29Å; F12-I34 HydrophobicContact CZ-CG1 3.98Å; F12-I34 HydrophobicContact CZ-CG2 4.2Å; I34-L40 HydrophobicContact CG2-CB 4.05Å; I34-R41 HydrophobicContact CB-CB 4.25Å; I34-R41 HydrophobicContact CB-CG 4.29Å; I34-R41 HydrophobicContact CD1-CG 4.27Å; I34-R41 HydrophobicContact CG2-CB 3.92Å; I34-R41 HydrophobicContact CG2-CG 4.44Å; I34-R41 PolarHBondContact O-NH2 3.45Å; I34-C44 HydrophobicContact CD1-CB 3.5Å; I34-C44 HydrophobicContact CG1-CB 4.38Å; I34-D339 HydrophobicContact CD1-CB 4.27Å; I34-D339 WeakPolarHBondContact CD1-OD1 3.45Å; I34-D339 HydrophobicContact CG1-CB 4.27Å; I34-D339 PolarHBondContact N-OD2 2.92Å
35P94.8Very high95.1Very high6 Ų635.5 Ų35.54%0.03920%0.203CC..  trans-58.8143.2175.4-24.734.2000112.5R8 I9 F12 E37 L40R8-P35 HydrophobicContact CG-CG 4.21Å; I9-P35 HydrophobicContact CG1-CB 3.84Å; I9-P35 HydrophobicContact CG1-CG 3.97Å; F12-P35 HydrophobicContact CD2-CG 4.09Å; F12-P35 VanDerWaalsContact CE2-CD 3.42Å; F12-P35 HydrophobicContact CE2-CG 4.17Å; P35-E37 VanDerWaalsContact C-N 3.27Å; P35-E37 PolarHBondContact O-N 3.06Å; P35-L40 HydrophobicContact CB-CD1 4.2Å; P35-L40 HydrophobicContact CG-CD1 4.28Å
36C87.4Confident95.1Very high92 Ų9231.1 Ų31.162%0.62218%0.184SC*.SBendtrans-72.3-23.1177.8-63.20000112.5R41C36-R41 PolarHBondContact SG-NH1 3.45Å; C36-R41 VanDerWaalsContact SG-NH1 3.44Å; C36-R41 PolarHBondContact SG-NH2 2.88Å
37E87.8Confident95.1Very high71 Ų7131.3 Ų31.333%0.33218%0.184SC..G310 helixtrans-77.4149.7-173.6-60.492152.100113.2M1 H5 I9 P35 G39 L40M1-E37 HydrophobicContact CE-CG 4.14Å; H5-E37 IonicContact CD2-OE1 3.83Å; H5-E37 IonicContact CE1-OE1 2.67Å; H5-E37 IonicContact CE1-OE2 3.36Å; H5-E37 PolarHBondContact CE1-OE2 3.23Å; H5-E37 IonicContact NE2-OE1 3.3Å; H5-E37 PolarHBondContact NE2-OE1 3.01Å; H5-E37 IonicContact NE2-OE2 3.67Å; H5-E37 PolarHBondContact NE2-OE2 3Å; I9-E37 HydrophobicContact CD1-CB 4.15Å; I9-E37 HydrophobicContact CD1-CG 4.5Å; P35-E37 VanDerWaalsContact C-N 3.27Å; P35-E37 PolarHBondContact O-N 3.06Å; E37-G39 VanDerWaalsContact C-N 3.27Å; E37-G39 PolarHBondContact O-N 3.25Å; E37-L40 WeakPolarHBondContact O-CG 3.47Å
38G84.7Confident95.2Very high62 Ų6230 Ų3064%0.63918%0.179SC*.G310 helixtrans70.914.3168.400000115.7L40G38-L40 PolarHBondContact O-N 2.94Å
39G92.1Very high95.2Very high10 Ų1022.9 Ų22.910%0.10315%0.146CC..G310 helixtrans7114.4179.300000113.4E37 R41 C42 L43 P246E37-G39 VanDerWaalsContact C-N 3.27Å; E37-G39 PolarHBondContact O-N 3.25Å; G39-R41 VanDerWaalsContact C-N 3.33Å; G39-R41 PolarHBondContact O-N 2.93Å; G39-C42 WeakPolarHBondContact O-CB 3.36Å; G39-C42 PolarHBondContact O-N 3.35Å; G39-L43 PolarHBondContact O-N 2.83Å; G39-P246 VanDerWaalsContact N-CG 3.25Å
40L96.5Very high95.2Very high11 Ų1126.9 Ų26.96%0.05817%0.168CC..Hα-helixtrans-58.5-45-177.4-68.8176.3000111.6I9 F12 Q13 L16 I34 P35 E37 G38 C42 L43 C44I9-L40 HydrophobicContact CG1-CD1 4.4Å; I9-L40 HydrophobicContact CG2-CD1 4.15Å; F12-L40 HydrophobicContact CB-CD1 3.97Å; F12-L40 HydrophobicContact CB-CD2 4.21Å; Q13-L40 HydrophobicContact CG-CD2 4.14Å; L16-L40 HydrophobicContact CD1-CD2 3.71Å; I34-L40 HydrophobicContact CG2-CB 4.05Å; P35-L40 HydrophobicContact CB-CD1 4.2Å; P35-L40 HydrophobicContact CG-CD1 4.28Å; E37-L40 WeakPolarHBondContact O-CG 3.47Å; G38-L40 PolarHBondContact O-N 2.94Å; L40-C42 PolarHBondContact O-N 3.26Å; L40-L43 PolarHBondContact O-N 2.89Å; L40-C44 WeakPolarHBondContact O-CB 3.31Å; L40-C44 PolarHBondContact O-N 2.85Å; L40-C44 PolarHBondContact O-SG 2.82Å
41R96.8Very high95.2Very high38 Ų3827.3 Ų27.314%0.14317%0.17CC..Hα-helixtrans-59.8-46.7179.3-169.1176.9-61.5107.3-0.6112.9I34 C36 G39 L43 C44 W45 T241 D339I34-R41 HydrophobicContact CB-CB 4.25Å; I34-R41 HydrophobicContact CB-CG 4.29Å; I34-R41 HydrophobicContact CD1-CG 4.27Å; I34-R41 HydrophobicContact CG2-CB 3.92Å; I34-R41 HydrophobicContact CG2-CG 4.44Å; I34-R41 PolarHBondContact O-NH2 3.45Å; C36-R41 PolarHBondContact SG-NH1 3.45Å; C36-R41 VanDerWaalsContact SG-NH1 3.44Å; C36-R41 PolarHBondContact SG-NH2 2.88Å; G39-R41 VanDerWaalsContact C-N 3.33Å; G39-R41 PolarHBondContact O-N 2.93Å; R41-L43 VanDerWaalsContact C-N 3.32Å; R41-L43 PolarHBondContact O-N 2.87Å; R41-C44 PolarHBondContact O-N 3.47Å; R41-W45 HydrophobicContact CG-CD2 4.28Å; R41-W45 HydrophobicContact CG-CG 4.27Å; R41-W45 HydrophobicContact CG-CZ2 4.43Å; R41-W45 WeakPolarHBondContact O-CB 3.25Å; R41-W45 PolarHBondContact O-N 3.05Å; R41-T241 HydrophobicContact CB-CG2 4.35Å; R41-T241 HydrophobicContact CG-CG2 3.9Å; R41-D339 WeakPolarHBondContact CD-OD1 3.36Å; R41-D339 IonicContact NE-OD1 2.78Å; R41-D339 PolarHBondContact NE-OD1 2.97Å; R41-D339 IonicContact NE-OD2 3.8Å; R41-D339 PolarHBondContact NE-OD2 3.31Å; R41-D339 IonicContact NH2-OD2 2.82Å
42C96.3Very high95.3Very high3 Ų325.7 Ų25.72%0.0216%0.162CC..Hα-helixtrans-54.5-49.5177.1176.90000110.8G39 L40 K46 F242 D245G39-C42 WeakPolarHBondContact O-CB 3.36Å; G39-C42 PolarHBondContact O-N 3.35Å; L40-C42 PolarHBondContact O-N 3.26Å; C42-K46 VanDerWaalsContact O-CG 3.28Å; C42-K46 WeakPolarHBondContact O-CG 3.48Å; C42-K46 PolarHBondContact O-N 3.12Å; C42-K46 WeakPolarHBondContact SG-CE 3.38Å; C42-K46 PolarHBondContact SG-NZ 3.22Å; C42-K46 VanDerWaalsContact SG-NZ 3.36Å; C42-F242 HydrophobicContact CB-CD1 4.07Å; C42-F242 WeakPolarHBondContact SG-CD1 3.44Å; C42-D245 WeakPolarHBondContact CB-OD2 3.13Å; C42-D245 PolarHBondContact SG-OD2 2.81Å
43L96.6Very high95.4Very high34 Ų3423.9 Ų23.918%0.17815%0.149CC..Hα-helixtrans-67.1-43.9179.7-173.557.3000112.9L16 G39 L40 R41 W45 K46 I47 L52 W59 W250L16-L43 HydrophobicContact CB-CD2 4.36Å; L16-L43 HydrophobicContact CD1-CD2 4.15Å; L16-L43 HydrophobicContact CD2-CD2 4.19Å; L16-L43 HydrophobicContact CD2-CG 4.28Å; L16-L43 HydrophobicContact CG-CD2 4.47Å; G39-L43 PolarHBondContact O-N 2.83Å; L40-L43 PolarHBondContact O-N 2.89Å; R41-L43 VanDerWaalsContact C-N 3.32Å; R41-L43 PolarHBondContact O-N 2.87Å; L43-W45 PolarHBondContact O-N 3.08Å; L43-K46 PolarHBondContact O-N 3.18Å; L43-I47 HydrophobicContact CG-CD1 4.28Å; L43-I47 WeakPolarHBondContact O-CG1 3.45Å; L43-I47 PolarHBondContact O-N 3.25Å; L43-L52 HydrophobicContact CD1-CD1 3.61Å; L43-W59 HydrophobicContact CD1-CH2 3.77Å; L43-W59 HydrophobicContact CD1-CZ3 3.8Å; L43-W59 HydrophobicContact CD2-CH2 4.23Å; L43-W59 HydrophobicContact CD2-CZ3 4.26Å; L43-W59 HydrophobicContact CG-CH2 4.33Å; L43-W250 HydrophobicContact CD1-CZ2 4.48Å
44C97.9Very high95.5Very high0 Ų026.1 Ų26.10%016%0.159CC..Hα-helixtrans-61.5-45.6178.8-65.40000111.3I34 L40 R41 K46 I47 L48I34-C44 HydrophobicContact CD1-CB 3.5Å; I34-C44 HydrophobicContact CG1-CB 4.38Å; L40-C44 WeakPolarHBondContact O-CB 3.31Å; L40-C44 PolarHBondContact O-N 2.85Å; L40-C44 PolarHBondContact O-SG 2.82Å; R41-C44 PolarHBondContact O-N 3.47Å; C44-K46 VanDerWaalsContact C-N 3.34Å; C44-K46 PolarHBondContact O-N 2.68Å; C44-I47 PolarHBondContact O-N 3.25Å; C44-I47 VanDerWaalsContact O-N 3.14Å; C44-L48 WeakPolarHBondContact O-CB 3.27Å; C44-L48 VanDerWaalsContact O-CG 3.27Å; C44-L48 WeakPolarHBondContact O-CG 3.44Å; C44-L48 PolarHBondContact O-N 2.86Å
45W98.1Very high95.5Very high0 Ų030.8 Ų30.80%018%0.181CC..Hα-helixtrans-61.9-40.9178.6-78.822.8000112.1R41 L43 I47 L48 L49 L238 T241 F242 I335 W338 D339 F342R41-W45 HydrophobicContact CG-CD2 4.28Å; R41-W45 HydrophobicContact CG-CG 4.27Å; R41-W45 HydrophobicContact CG-CZ2 4.43Å; R41-W45 WeakPolarHBondContact O-CB 3.25Å; R41-W45 PolarHBondContact O-N 3.05Å; L43-W45 PolarHBondContact O-N 3.08Å; W45-I47 PolarHBondContact O-N 3.07Å; W45-L48 PolarHBondContact O-N 2.87Å; W45-L49 VanDerWaalsContact O-CB 3.24Å; W45-L49 WeakPolarHBondContact O-CB 3.45Å; W45-L49 WeakPolarHBondContact O-CG 3.41Å; W45-L49 PolarHBondContact O-N 3.25Å; W45-L238 HydrophobicContact CE3-CD2 3.66Å; W45-L238 HydrophobicContact CZ3-CD2 3.7Å; W45-T241 HydrophobicContact CD2-CG2 4.25Å; W45-T241 HydrophobicContact CE3-CG2 3.94Å; W45-T241 HydrophobicContact CZ3-CG2 4.16Å; W45-T241 WeakPolarHBondContact CZ3-OG1 3.21Å; W45-F242 HydrophobicContact CB-CE1 4.05Å; W45-F242 HydrophobicContact CB-CZ 4.33Å; W45-F242 HydrophobicContact CE3-CE1 4.44Å; W45-I335 HydrophobicContact CH2-CB 4.32Å; W45-I335 HydrophobicContact CH2-CG1 4.08Å; W45-I335 HydrophobicContact CH2-CG2 4.08Å; W45-I335 HydrophobicContact CZ2-CB 4.42Å; W45-I335 HydrophobicContact CZ2-CG2 3.86Å; W45-W338 HydrophobicContact CH2-CB 3.96Å; W45-W338 HydrophobicContact CH2-CD2 4.46Å; W45-W338 AromaticContact CH2-CE3 3.73Å; W45-W338 HydrophobicContact CH2-CE3 3.73Å; W45-W338 HydrophobicContact CZ2-CB 3.7Å; W45-W338 AromaticContact CZ3-CE3 3.97Å; W45-W338 HydrophobicContact CZ3-CE3 3.97Å; W45-D339 PolarHBondContact NE1-OD1 2.79Å; W45-F342 AromaticContact CD2-CD2 3.93Å; W45-F342 HydrophobicContact CD2-CD2 3.93Å; W45-F342 AromaticContact CD2-CE2 3.85Å; W45-F342 HydrophobicContact CD2-CE2 3.85Å; W45-F342 AromaticContact CE2-CD2 3.9Å; W45-F342 AromaticContact CE2-CE2 3.96Å; W45-F342 HydrophobicContact CE3-CD2 4.49Å; W45-F342 AromaticContact CE3-CE2 3.96Å; W45-F342 HydrophobicContact CE3-CE2 3.96Å; W45-F342 HydrophobicContact CG-CD2 4.06Å; W45-F342 HydrophobicContact CG-CE2 4.38Å; W45-F342 HydrophobicContact CH2-CE2 4.26Å; W45-F342 HydrophobicContact CZ2-CD2 4.41Å; W45-F342 HydrophobicContact CZ2-CE2 4.17Å; W45-F342 HydrophobicContact CZ3-CE2 4.17Å
46K98Very high95.7Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-60.5-34.9175.6-69.8175.9-170.8179.90112.4C42 L43 C44 Y51 L52 F242 W250 D257C42-K46 VanDerWaalsContact O-CG 3.28Å; C42-K46 WeakPolarHBondContact O-CG 3.48Å; C42-K46 PolarHBondContact O-N 3.12Å; C42-K46 WeakPolarHBondContact SG-CE 3.38Å; C42-K46 PolarHBondContact SG-NZ 3.22Å; C42-K46 VanDerWaalsContact SG-NZ 3.36Å; L43-K46 PolarHBondContact O-N 3.18Å; C44-K46 VanDerWaalsContact C-N 3.34Å; C44-K46 PolarHBondContact O-N 2.68Å; K46-Y51 HydrophobicContact CB-CD1 4.01Å; K46-Y51 HydrophobicContact CD-CD1 4.1Å; K46-Y51 HydrophobicContact CD-CE1 4.32Å; K46-Y51 HydrophobicContact CG-CD1 3.85Å; K46-Y51 WeakPolarHBondContact O-CA 3.27Å; K46-Y51 WeakPolarHBondContact O-CB 3.45Å; K46-Y51 PolarHBondContact O-N 2.7Å; K46-L52 HydrophobicContact CB-CB 4.49Å; K46-L52 HydrophobicContact CB-CD1 3.77Å; K46-L52 HydrophobicContact CB-CG 3.98Å; K46-L52 HydrophobicContact CD-CD1 4.24Å; K46-L52 PolarHBondContact O-N 3.48Å; K46-F242 HydrophobicContact CG-CE1 4.11Å; K46-F242 HydrophobicContact CG-CE2 4.39Å; K46-F242 HydrophobicContact CG-CZ 3.85Å; K46-W250 HydrophobicContact CD-CZ3 4.09Å; K46-W250 VanDerWaalsContact NZ-CZ3 3.27Å; K46-D257 IonicContact NZ-OD2 3.53Å; K46-D257 PolarHBondContact NZ-OD2 2.94Å
47I98.1Very high96.1Very high3 Ų335.5 Ų35.52%0.01521%0.207CC..Hα-helixtrans-75.2-50175.5-62.2161.3000110.6L16 I21 L23 L26 L43 C44 W45 L49 N50 L52 L54 W59L16-I47 HydrophobicContact CD2-CD1 3.59Å; I21-I47 HydrophobicContact CD1-CD1 3.53Å; L23-I47 HydrophobicContact CD1-CG2 4.42Å; L26-I47 HydrophobicContact CD2-CB 4.07Å; L26-I47 HydrophobicContact CD2-CD1 4.05Å; L26-I47 HydrophobicContact CD2-CG2 3.76Å; L43-I47 HydrophobicContact CG-CD1 4.28Å; L43-I47 WeakPolarHBondContact O-CG1 3.45Å; L43-I47 PolarHBondContact O-N 3.25Å; C44-I47 PolarHBondContact O-N 3.25Å; C44-I47 VanDerWaalsContact O-N 3.14Å; W45-I47 PolarHBondContact O-N 3.07Å; I47-L49 VanDerWaalsContact C-N 3.26Å; I47-L49 PolarHBondContact O-N 2.79Å; I47-N50 PolarHBondContact O-N 2.62Å; I47-L52 HydrophobicContact CG1-CB 4.06Å; I47-L54 HydrophobicContact CG2-CD2 3.92Å; I47-W59 HydrophobicContact CD1-CH2 4.17Å; I47-W59 HydrophobicContact CD1-CZ2 4.06Å; I47-W59 HydrophobicContact CG1-CZ2 4.24Å
48L98Very high96.6Very high1 Ų133.9 Ų33.91%0.00520%0.203CC..Hα-helixtrans-66.9-24.4-176-66.4171.4000113.6L23 L26 R27 C44 W45 N50 F342 R347L23-L48 HydrophobicContact CD1-CD2 4.14Å; L26-L48 HydrophobicContact CD2-CD2 4.49Å; R27-L48 HydrophobicContact CG-CD2 3.87Å; C44-L48 WeakPolarHBondContact O-CB 3.27Å; C44-L48 VanDerWaalsContact O-CG 3.27Å; C44-L48 WeakPolarHBondContact O-CG 3.44Å; C44-L48 PolarHBondContact O-N 2.86Å; W45-L48 PolarHBondContact O-N 2.87Å; L48-N50 VanDerWaalsContact C-N 3.33Å; L48-F342 HydrophobicContact CB-CB 3.99Å; L48-F342 HydrophobicContact CD1-CB 4.14Å; L48-R347 PolarHBondContact O-NH2 3.43Å
49L97.9Very high97.2Very high0 Ų032 Ų320%018%0.176CC..THydrogen-bonded Turntrans-93.715.4172.7-64.2173.9000112.9W45 I47 Y51 L238 C261 N264 L265 F342W45-L49 VanDerWaalsContact O-CB 3.24Å; W45-L49 WeakPolarHBondContact O-CB 3.45Å; W45-L49 WeakPolarHBondContact O-CG 3.41Å; W45-L49 PolarHBondContact O-N 3.25Å; I47-L49 VanDerWaalsContact C-N 3.26Å; I47-L49 PolarHBondContact O-N 2.79Å; L49-Y51 PolarHBondContact O-N 3.43Å; L49-Y51 VanDerWaalsContact O-N 3.12Å; L49-L238 HydrophobicContact CD1-CD2 3.72Å; L49-C261 HydrophobicContact CD1-CB 3.97Å; L49-N264 WeakPolarHBondContact O-CB 3.39Å; L49-N264 PolarHBondContact O-ND2 3.13Å; L49-L265 HydrophobicContact CD2-CB 4.38Å; L49-L265 HydrophobicContact CD2-CD1 4.36Å; L49-F342 HydrophobicContact CD1-CD2 4.34Å; L49-F342 HydrophobicContact CD1-CE2 3.97Å; L49-F342 HydrophobicContact CD1-CZ 4.23Å; L49-F342 HydrophobicContact CD2-CD1 3.78Å; L49-F342 HydrophobicContact CD2-CD2 4.24Å; L49-F342 HydrophobicContact CD2-CE1 3.76Å; L49-F342 HydrophobicContact CD2-CE2 4.21Å; L49-F342 HydrophobicContact CD2-CG 4.03Å; L49-F342 HydrophobicContact CD2-CZ 3.98Å; L49-F342 HydrophobicContact CG-CD2 4.27Å; L49-F342 HydrophobicContact CG-CE2 4.33Å; L49-F342 HydrophobicContact CG-CG 4.43Å
50N96.9Very high97.4Very high109 Ų10937 Ų3758%0.58321%0.206SC*.THydrogen-bonded Turntrans57.426.8175.9-56.9-52.6000114.5I47 L48 N264I47-N50 PolarHBondContact O-N 2.62Å; L48-N50 VanDerWaalsContact C-N 3.33Å; N50-N264 PolarHBondContact O-ND2 3.37Å; N50-N264 VanDerWaalsContact O-ND2 3.17Å
51Y97.9Very high97.5Very high10 Ų1040.8 Ų40.84%0.03923%0.233CC..SBendtrans-83-43.3173.2175.3-129.6000111.2K46 L49 L63 Q66 D257 F260 C261K46-Y51 HydrophobicContact CB-CD1 4.01Å; K46-Y51 HydrophobicContact CD-CD1 4.1Å; K46-Y51 HydrophobicContact CD-CE1 4.32Å; K46-Y51 HydrophobicContact CG-CD1 3.85Å; K46-Y51 WeakPolarHBondContact O-CA 3.27Å; K46-Y51 WeakPolarHBondContact O-CB 3.45Å; K46-Y51 PolarHBondContact O-N 2.7Å; L49-Y51 PolarHBondContact O-N 3.43Å; L49-Y51 VanDerWaalsContact O-N 3.12Å; Y51-L63 HydrophobicContact CE1-CD2 3.78Å; Y51-Q66 HydrophobicContact CE2-CB 4.05Å; Y51-Q66 HydrophobicContact CE2-CG 3.94Å; Y51-D257 HydrophobicContact CE1-CB 3.79Å; Y51-D257 WeakPolarHBondContact CE1-OD1 3.32Å; Y51-D257 PolarHBondContact OH-OD1 2.97Å; Y51-F260 HydrophobicContact CD2-CB 3.52Å; Y51-F260 HydrophobicContact CD2-CG 4.3Å; Y51-F260 HydrophobicContact CE2-CB 3.48Å; Y51-F260 VanDerWaalsContact CE2-CB 3.48Å; Y51-F260 AromaticContact CE2-CD2 3.85Å; Y51-F260 HydrophobicContact CE2-CD2 3.85Å; Y51-F260 AromaticContact CE2-CG 3.85Å; Y51-F260 HydrophobicContact CE2-CG 3.85Å; Y51-F260 HydrophobicContact CG-CB 4.37Å; Y51-C261 VanDerWaalsContact CB-SG 3.51Å
52L97.8Very high97.5Very high2 Ų241.4 Ų41.41%0.0124%0.238CC..SBendtrans-101129.2172-70176.7000110.2L43 K46 I47 W59 L63 W250L43-L52 HydrophobicContact CD1-CD1 3.61Å; K46-L52 HydrophobicContact CB-CB 4.49Å; K46-L52 HydrophobicContact CB-CD1 3.77Å; K46-L52 HydrophobicContact CB-CG 3.98Å; K46-L52 HydrophobicContact CD-CD1 4.24Å; K46-L52 PolarHBondContact O-N 3.48Å; I47-L52 HydrophobicContact CG1-CB 4.06Å; L52-W59 HydrophobicContact CB-CZ2 4.43Å; L52-W59 HydrophobicContact CD1-CD2 4.35Å; L52-W59 HydrophobicContact CD1-CZ2 4.37Å; L52-W59 HydrophobicContact CD2-CB 4.42Å; L52-W59 HydrophobicContact CD2-CD2 4.39Å; L52-W59 HydrophobicContact CD2-CG 4.08Å; L52-L63 HydrophobicContact CD2-CD1 4.21Å; L52-L63 HydrophobicContact CD2-CD2 3.86Å; L52-L63 HydrophobicContact CD2-CG 3.94Å; L52-W250 HydrophobicContact CD1-CH2 4.27Å
53P97.4Very high97.6Very high38 Ų3841.9 Ų41.925%0.24724%0.241CC..  trans-70.6168.7174.132.9-37.6000111.1E55 S58 W59 I62P53-E55 VanDerWaalsContact C-N 3.29Å; P53-E55 PolarHBondContact O-N 3.27Å; P53-S58 WeakPolarHBondContact CG-OG 3.47Å; P53-W59 PolarHBondContact O-NE1 3.4Å; P53-I62 HydrophobicContact CG-CD1 3.55Å
54L97.7Very high97.7Very high53 Ų5343.2 Ų43.228%0.27726%0.256SS..SBendtrans-69.7-28.5-179.8-55.1-178.6000112.1S20 I21 L23 I47 R56S20-L54 WeakPolarHBondContact CA-O 3.45Å; I21-L54 PolarHBondContact N-O 3.46Å; L23-L54 HydrophobicContact CB-CD1 4.06Å; L23-L54 HydrophobicContact CB-CD2 3.98Å; L23-L54 HydrophobicContact CD1-CD2 4.17Å; L23-L54 HydrophobicContact CG-CD2 4.44Å; I47-L54 HydrophobicContact CG2-CD2 3.92Å; L54-R56 PolarHBondContact O-N 2.98Å
55E97.7Very high97.7Very high104 Ų10450.7 Ų50.749%0.48629%0.289SS..BIsolated β-bridgetrans-81.8103.3179.2-59.776.4-164.400112P53 A57 S58P53-E55 VanDerWaalsContact C-N 3.29Å; P53-E55 PolarHBondContact O-N 3.27Å; E55-A57 PolarHBondContact O-N 3.29Å; E55-A57 VanDerWaalsContact O-N 3.15Å; E55-S58 PolarHBondContact O-N 3.41Å; E55-S58 VanDerWaalsContact O-N 3.15Å; E55-S58 PolarHBondContact O-OG 3.36Å
56R97.3Very high97.7Very high95 Ų9553.2 Ų53.236%0.35830%0.301SS..G310 helixtrans-60.4-29.1-176.6-64.4-17666.3-149.5-0114.3L16 K17 E18 P19 I21 L54 S58 W59L16-R56 WeakPolarHBondContact O-CD 3.31Å; L16-R56 PolarHBondContact O-NE 2.79Å; K17-R56 VanDerWaalsContact C-NH1 3.3Å; K17-R56 PolarHBondContact O-NH1 2.94Å; E18-R56 WeakPolarHBondContact O-CD 3.45Å; P19-R56 PolarHBondContact O-N 3.39Å; I21-R56 HydrophobicContact CD1-CG 4.07Å; I21-R56 HydrophobicContact CG1-CG 4.14Å; L54-R56 PolarHBondContact O-N 2.98Å; R56-S58 PolarHBondContact O-N 3.35Å; R56-S58 VanDerWaalsContact O-N 3.12Å; R56-W59 HydrophobicContact CB-CD2 4.26Å; R56-W59 HydrophobicContact CB-CE3 4.5Å; R56-W59 HydrophobicContact CG-CD2 4.26Å; R56-W59 HydrophobicContact CG-CE3 4.38Å; R56-W59 HydrophobicContact CG-CH2 3.87Å; R56-W59 HydrophobicContact CG-CZ2 3.74Å; R56-W59 HydrophobicContact CG-CZ3 4.19Å; R56-W59 WeakPolarHBondContact O-CB 3.41Å; R56-W59 PolarHBondContact O-N 3.48Å; R56-W59 VanDerWaalsContact O-N 3.13Å
57A97.4Very high97.6Very high102 Ų10254.8 Ų54.884%0.84331%0.307SS*.G310 helixtrans-59.7-24.1-18000000113E55E55-A57 PolarHBondContact O-N 3.29Å; E55-A57 VanDerWaalsContact O-N 3.15Å
58S97Very high97.6Very high37 Ų3759.8 Ų59.826%0.25933%0.33SS..G310 helixtrans-89.6-13.9-179.168.80000114.1P53 E55 R56 T60 S61 I62P53-S58 WeakPolarHBondContact CG-OG 3.47Å; E55-S58 PolarHBondContact O-N 3.41Å; E55-S58 VanDerWaalsContact O-N 3.15Å; E55-S58 PolarHBondContact O-OG 3.36Å; R56-S58 PolarHBondContact O-N 3.35Å; R56-S58 VanDerWaalsContact O-N 3.12Å; S58-T60 PolarHBondContact O-N 3.08Å; S58-S61 PolarHBondContact O-N 3.35Å; S58-I62 WeakPolarHBondContact O-CG1 3.12Å; S58-I62 PolarHBondContact O-N 2.87Å
59W97.5Very high97.6Very high21 Ų2162.4 Ų62.48%0.0834%0.344CS..Hα-helixtrans-58.7-47.7-168.6-72.33.6000113.2I21 L43 I47 L52 P53 R56 S61 I62 L63I21-W59 HydrophobicContact CD1-CH2 3.63Å; I21-W59 HydrophobicContact CD1-CZ2 3.44Å; I21-W59 VanDerWaalsContact CD1-CZ2 3.44Å; L43-W59 HydrophobicContact CD1-CH2 3.77Å; L43-W59 HydrophobicContact CD1-CZ3 3.8Å; L43-W59 HydrophobicContact CD2-CH2 4.23Å; L43-W59 HydrophobicContact CD2-CZ3 4.26Å; L43-W59 HydrophobicContact CG-CH2 4.33Å; I47-W59 HydrophobicContact CD1-CH2 4.17Å; I47-W59 HydrophobicContact CD1-CZ2 4.06Å; I47-W59 HydrophobicContact CG1-CZ2 4.24Å; L52-W59 HydrophobicContact CB-CZ2 4.43Å; L52-W59 HydrophobicContact CD1-CD2 4.35Å; L52-W59 HydrophobicContact CD1-CZ2 4.37Å; L52-W59 HydrophobicContact CD2-CB 4.42Å; L52-W59 HydrophobicContact CD2-CD2 4.39Å; L52-W59 HydrophobicContact CD2-CG 4.08Å; P53-W59 PolarHBondContact O-NE1 3.4Å; R56-W59 HydrophobicContact CB-CD2 4.26Å; R56-W59 HydrophobicContact CB-CE3 4.5Å; R56-W59 HydrophobicContact CG-CD2 4.26Å; R56-W59 HydrophobicContact CG-CE3 4.38Å; R56-W59 HydrophobicContact CG-CH2 3.87Å; R56-W59 HydrophobicContact CG-CZ2 3.74Å; R56-W59 HydrophobicContact CG-CZ3 4.19Å; R56-W59 WeakPolarHBondContact O-CB 3.41Å; R56-W59 PolarHBondContact O-N 3.48Å; R56-W59 VanDerWaalsContact O-N 3.13Å; W59-S61 VanDerWaalsContact C-N 3.3Å; W59-S61 PolarHBondContact O-N 3.35Å; W59-I62 PolarHBondContact O-N 3.26Å; W59-L63 WeakPolarHBondContact O-CB 3.44Å; W59-L63 VanDerWaalsContact O-CG 3.28Å; W59-L63 WeakPolarHBondContact O-CG 3.45Å; W59-L63 PolarHBondContact O-N 3.3Å
60T97.1Very high97.5Very high117 Ų11762.8 Ų62.872%0.71835%0.345SS*.Hα-helixtrans-57.7-44.2-178.7-520000111.6S58 A64S58-T60 PolarHBondContact O-N 3.08Å; T60-A64 WeakPolarHBondContact O-CB 3.27Å; T60-A64 PolarHBondContact O-N 3.06Å; T60-A64 VanDerWaalsContact O-N 3.12Å
61S97.7Very high97.4Very high89 Ų8958.3 Ų58.362%0.62232%0.324SS*.Hα-helixtrans-69.4-40179.6-176.20000112.3S58 W59 K65S58-S61 PolarHBondContact O-N 3.35Å; W59-S61 VanDerWaalsContact C-N 3.3Å; W59-S61 PolarHBondContact O-N 3.35Å; S61-K65 WeakPolarHBondContact O-CB 3.31Å; S61-K65 PolarHBondContact O-N 3.24Å; S61-K65 VanDerWaalsContact O-N 3.12Å
62I97.6Very high97.1Very high51 Ų5162 Ų6226%0.26234%0.341SS..Hα-helixtrans-69.4-47.4-178.9-70.5169.5000110.4P53 S58 W59 A64 K65 Q66P53-I62 HydrophobicContact CG-CD1 3.55Å; S58-I62 WeakPolarHBondContact O-CG1 3.12Å; S58-I62 PolarHBondContact O-N 2.87Å; W59-I62 PolarHBondContact O-N 3.26Å; I62-A64 VanDerWaalsContact C-N 3.34Å; I62-A64 PolarHBondContact O-N 2.97Å; I62-K65 PolarHBondContact O-N 3.07Å; I62-Q66 HydrophobicContact CG2-CG 4.09Å; I62-Q66 WeakPolarHBondContact O-CB 3.28Å; I62-Q66 VanDerWaalsContact O-CG 3.29Å; I62-Q66 WeakPolarHBondContact O-CG 3.13Å; I62-Q66 PolarHBondContact O-N 3.16Å
63L98.1Very high96.9Very high14 Ų1463.2 Ų63.27%0.07335%0.346CS..Hα-helixtrans-58.9-45.9177.9-72.2168.6000111.2Y51 L52 W59 K65 Q66 R67 W250Y51-L63 HydrophobicContact CE1-CD2 3.78Å; L52-L63 HydrophobicContact CD2-CD1 4.21Å; L52-L63 HydrophobicContact CD2-CD2 3.86Å; L52-L63 HydrophobicContact CD2-CG 3.94Å; W59-L63 WeakPolarHBondContact O-CB 3.44Å; W59-L63 VanDerWaalsContact O-CG 3.28Å; W59-L63 WeakPolarHBondContact O-CG 3.45Å; W59-L63 PolarHBondContact O-N 3.3Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.24Å; L63-Q66 PolarHBondContact O-N 2.8Å; L63-R67 VanDerWaalsContact O-CB 3.26Å; L63-R67 WeakPolarHBondContact O-CB 3.46Å; L63-R67 WeakPolarHBondContact O-CD 3.37Å; L63-R67 WeakPolarHBondContact O-CG 3.25Å; L63-R67 PolarHBondContact O-N 3.4Å; L63-W250 HydrophobicContact CD1-CH2 3.57Å; L63-W250 HydrophobicContact CD1-CZ3 3.9Å; L63-W250 HydrophobicContact CD2-CH2 4.4Å; L63-W250 HydrophobicContact CD2-CZ3 4.05Å
64A98.1Very high96.6Very high61 Ų6161.9 Ų61.950%0.50434%0.337SS..Hα-helixtrans-58.7-45.6176.700000111.9T60 I62 E68T60-A64 WeakPolarHBondContact O-CB 3.27Å; T60-A64 PolarHBondContact O-N 3.06Å; T60-A64 VanDerWaalsContact O-N 3.12Å; I62-A64 VanDerWaalsContact C-N 3.34Å; I62-A64 PolarHBondContact O-N 2.97Å; A64-E68 WeakPolarHBondContact O-CB 3.44Å; A64-E68 PolarHBondContact O-N 3.39Å
65K98.3Very high96Very high158 Ų15864.5 Ų64.569%0.68734%0.343SS*.Hα-helixtrans-63.6-46.9178.7-176.6-176.8176.8-174.60112.3S61 I62 L63 L69S61-K65 WeakPolarHBondContact O-CB 3.31Å; S61-K65 PolarHBondContact O-N 3.24Å; S61-K65 VanDerWaalsContact O-N 3.12Å; I62-K65 PolarHBondContact O-N 3.07Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.24Å; K65-L69 WeakPolarHBondContact O-CB 3.48Å; K65-L69 PolarHBondContact O-N 3.4Å
66Q97.8Very high95.4Very high52 Ų5265 Ų6524%0.24335%0.346CS..Hα-helixtrans-67.1-42.9-177.9-67.9-69.520.800111.2Y51 I62 L63 E68 L69 Y70 F260Y51-Q66 HydrophobicContact CE2-CB 4.05Å; Y51-Q66 HydrophobicContact CE2-CG 3.94Å; I62-Q66 HydrophobicContact CG2-CG 4.09Å; I62-Q66 WeakPolarHBondContact O-CB 3.28Å; I62-Q66 VanDerWaalsContact O-CG 3.29Å; I62-Q66 WeakPolarHBondContact O-CG 3.13Å; I62-Q66 PolarHBondContact O-N 3.16Å; L63-Q66 PolarHBondContact O-N 2.8Å; Q66-E68 PolarHBondContact O-N 3.33Å; Q66-L69 WeakPolarHBondContact O-CB 3.25Å; Q66-L69 PolarHBondContact O-N 3.42Å; Q66-Y70 PolarHBondContact O-N 3.01Å; Q66-F260 HydrophobicContact CB-CD2 3.92Å; Q66-F260 HydrophobicContact CB-CE2 3.64Å; Q66-F260 HydrophobicContact CB-CZ 4.07Å; Q66-F260 HydrophobicContact CG-CE2 4.49Å; Q66-F260 WeakPolarHBondContact O-CE2 3.47Å; Q66-F260 WeakPolarHBondContact O-CZ 3.45Å
67R97.4Very high94.9Very high34 Ų3461.6 Ų61.613%0.12833%0.334CS..Hα-helixtrans-64.7-39.5177.6-68.7165.3-179179.3-3.5112.1L63 Y70 A71 W250 H253 A256 D257L63-R67 VanDerWaalsContact O-CB 3.26Å; L63-R67 WeakPolarHBondContact O-CB 3.46Å; L63-R67 WeakPolarHBondContact O-CD 3.37Å; L63-R67 WeakPolarHBondContact O-CG 3.25Å; L63-R67 PolarHBondContact O-N 3.4Å; R67-Y70 PolarHBondContact O-N 2.78Å; R67-A71 PolarHBondContact O-N 2.84Å; R67-W250 VanDerWaalsContact NH2-CE3 3.33Å; R67-W250 VanDerWaalsContact NH2-CZ3 3.29Å; R67-H253 HydrophobicContact CG-CB 4.42Å; R67-H253 VanDerWaalsContact CZ-CB 3.44Å; R67-H253 VanDerWaalsContact CZ-CG 3.42Å; R67-H253 VanDerWaalsContact NE-CB 3.29Å; R67-H253 PolarHBondContact NH1-CD2 2.79Å; R67-H253 PolarHBondContact NH1-NE2 3.28Å; R67-A256 HydrophobicContact CG-CB 4.17Å; R67-D257 IonicContact CZ-OD1 3.9Å; R67-D257 IonicContact NE-OD1 3.84Å; R67-D257 PolarHBondContact NE-OD1 3.15Å; R67-D257 IonicContact NH2-OD1 3.32Å; R67-D257 IonicContact NH2-OD2 3.36Å; R67-D257 PolarHBondContact NH2-OD2 2.98Å; R67-D257 VanDerWaalsContact NH2-OD2 3.09Å
68E97.1Very high94.1Very high107 Ų10757.1 Ų57.150%0.530%0.296SS..Hα-helixtrans-67.1-40.4173.3-173.957.9-136.200112A64 Q66 Y70 A71 Q72 R75A64-E68 WeakPolarHBondContact O-CB 3.44Å; A64-E68 PolarHBondContact O-N 3.39Å; Q66-E68 PolarHBondContact O-N 3.33Å; E68-Y70 VanDerWaalsContact C-N 3.31Å; E68-Y70 PolarHBondContact O-N 2.81Å; E68-A71 CarbonylContact O-C 3.6Å; E68-A71 WeakPolarHBondContact O-CB 3.45Å; E68-A71 PolarHBondContact O-N 2.78Å; E68-A71 VanDerWaalsContact O-N 3.15Å; E68-Q72 PolarHBondContact O-N 2.76Å; E68-R75 IonicContact OE1-CZ 2.72Å; E68-R75 IonicContact OE1-NH1 3.57Å; E68-R75 PolarHBondContact OE1-NH1 2.74Å; E68-R75 IonicContact OE1-NH2 3.9Å
69L97.5Very high92.8Very high57 Ų5756.2 Ų56.230%0.29829%0.288SS..Hα-helixtrans-60.2-43175.5178.161.5000111.4K65 Q66 A71 Q72 F73 F260K65-L69 WeakPolarHBondContact O-CB 3.48Å; K65-L69 PolarHBondContact O-N 3.4Å; Q66-L69 WeakPolarHBondContact O-CB 3.25Å; Q66-L69 PolarHBondContact O-N 3.42Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 3.12Å; L69-Q72 WeakPolarHBondContact O-CB 3.43Å; L69-Q72 PolarHBondContact O-N 2.85Å; L69-Q72 VanDerWaalsContact O-N 3.16Å; L69-F73 HydrophobicContact CD1-CE1 3.73Å; L69-F73 HydrophobicContact CD1-CE2 4.26Å; L69-F73 HydrophobicContact CD1-CZ 3.59Å; L69-F73 HydrophobicContact CD2-CE2 4.22Å; L69-F73 HydrophobicContact CD2-CZ 3.94Å; L69-F73 HydrophobicContact CG-CE1 4.17Å; L69-F73 HydrophobicContact CG-CE2 3.76Å; L69-F73 HydrophobicContact CG-CZ 3.56Å; L69-F73 WeakPolarHBondContact O-CG 3.35Å; L69-F73 PolarHBondContact O-N 3.01Å; L69-F260 HydrophobicContact CB-CZ 4.44Å; L69-F260 HydrophobicContact CD2-CE1 4.24Å; L69-F260 HydrophobicContact CD2-CZ 4.17Å; L69-F260 HydrophobicContact CG-CZ 4.4Å
70Y96.8Very high91.1Very high7 Ų757.8 Ų57.83%0.02730%0.296CS..Hα-helixtrans-62.8-41.6174.6-170.7-101.9000111.9Q66 R67 E68 Q72 F73 L74 I217 E255 A256 F259Q66-Y70 PolarHBondContact O-N 3.01Å; R67-Y70 PolarHBondContact O-N 2.78Å; E68-Y70 VanDerWaalsContact C-N 3.31Å; E68-Y70 PolarHBondContact O-N 2.81Å; Y70-Q72 VanDerWaalsContact C-N 3.25Å; Y70-Q72 PolarHBondContact O-N 3.11Å; Y70-F73 HydrophobicContact CD2-CD2 4.33Å; Y70-F73 WeakPolarHBondContact O-CB 3.42Å; Y70-F73 PolarHBondContact O-N 3.19Å; Y70-F73 VanDerWaalsContact O-N 3.11Å; Y70-L74 HydrophobicContact CD1-CD1 3.99Å; Y70-L74 HydrophobicContact CD1-CG 4.24Å; Y70-L74 HydrophobicContact CE1-CD1 3.85Å; Y70-L74 HydrophobicContact CE1-CD2 4.12Å; Y70-L74 HydrophobicContact CE1-CG 3.99Å; Y70-L74 WeakPolarHBondContact O-CG 3.42Å; Y70-L74 PolarHBondContact O-N 2.89Å; Y70-I217 HydrophobicContact CE2-CD1 3.83Å; Y70-E255 HydrophobicContact CE1-CG 3.67Å; Y70-E255 VanDerWaalsContact CE1-OE1 3.29Å; Y70-E255 WeakPolarHBondContact CE1-OE1 3.49Å; Y70-E255 WeakPolarHBondContact OH-CG 3.33Å; Y70-E255 PolarHBondContact OH-OE1 3.08Å; Y70-A256 HydrophobicContact CD1-CB 3.65Å; Y70-A256 HydrophobicContact CE1-CB 4.39Å; Y70-A256 HydrophobicContact CG-CB 3.79Å; Y70-F259 HydrophobicContact CD2-CB 3.76Å; Y70-F259 AromaticContact CD2-CD1 3.6Å; Y70-F259 HydrophobicContact CD2-CD1 3.6Å; Y70-F259 HydrophobicContact CD2-CD2 4.28Å; Y70-F259 HydrophobicContact CD2-CE1 4.32Å; Y70-F259 AromaticContact CD2-CG 3.59Å; Y70-F259 HydrophobicContact CD2-CG 3.59Å; Y70-F259 HydrophobicContact CE2-CB 3.42Å; Y70-F259 VanDerWaalsContact CE2-CB 3.42Å; Y70-F259 AromaticContact CE2-CD1 3.91Å; Y70-F259 HydrophobicContact CE2-CD1 3.91Å; Y70-F259 AromaticContact CE2-CD2 3.74Å; Y70-F259 HydrophobicContact CE2-CD2 3.74Å; Y70-F259 AromaticContact CE2-CG 3.39Å; Y70-F259 HydrophobicContact CE2-CG 3.39Å
71A93.4Very high88.9Confident16 Ų1657.4 Ų57.413%0.13230%0.296CS..Hα-helixtrans-60.4-34.5173.500000112.7R67 E68 L69 L74 R75R67-A71 PolarHBondContact O-N 2.84Å; E68-A71 CarbonylContact O-C 3.6Å; E68-A71 WeakPolarHBondContact O-CB 3.45Å; E68-A71 PolarHBondContact O-N 2.78Å; E68-A71 VanDerWaalsContact O-N 3.15Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 3.12Å; A71-L74 WeakPolarHBondContact O-CB 3.38Å; A71-L74 PolarHBondContact O-N 3.33Å; A71-R75 WeakPolarHBondContact O-CG 3.44Å; A71-R75 PolarHBondContact O-N 3.34Å
72Q93.1Very high86.7Confident87 Ų8753.6 Ų53.641%0.40727%0.271SS..Hα-helixtrans-65.3-45171.8-175.4178.72.500111.8E68 L69 Y70 L74 R75 E76E68-Q72 PolarHBondContact O-N 2.76Å; L69-Q72 WeakPolarHBondContact O-CB 3.43Å; L69-Q72 PolarHBondContact O-N 2.85Å; L69-Q72 VanDerWaalsContact O-N 3.16Å; Y70-Q72 VanDerWaalsContact C-N 3.25Å; Y70-Q72 PolarHBondContact O-N 3.11Å; Q72-L74 VanDerWaalsContact C-N 3.28Å; Q72-L74 PolarHBondContact O-N 3.06Å; Q72-R75 PolarHBondContact O-N 3.4Å; Q72-R75 VanDerWaalsContact O-N 3.1Å; Q72-E76 HydrophobicContact CG-CG 4.34Å; Q72-E76 VanDerWaalsContact CG-OE1 3.31Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.41Å; Q72-E76 PolarHBondContact NE2-OE1 3.34Å; Q72-E76 PolarHBondContact O-N 3.02Å
73F93.7Very high84.6Confident27 Ų2752.4 Ų52.412%0.11826%0.264CS..Hα-helixtrans-58.4-40.6175.5-60.3-31.9000112.3L69 Y70 R75 E76 M77 I217 L221 F259L69-F73 HydrophobicContact CD1-CE1 3.73Å; L69-F73 HydrophobicContact CD1-CE2 4.26Å; L69-F73 HydrophobicContact CD1-CZ 3.59Å; L69-F73 HydrophobicContact CD2-CE2 4.22Å; L69-F73 HydrophobicContact CD2-CZ 3.94Å; L69-F73 HydrophobicContact CG-CE1 4.17Å; L69-F73 HydrophobicContact CG-CE2 3.76Å; L69-F73 HydrophobicContact CG-CZ 3.56Å; L69-F73 WeakPolarHBondContact O-CG 3.35Å; L69-F73 PolarHBondContact O-N 3.01Å; Y70-F73 HydrophobicContact CD2-CD2 4.33Å; Y70-F73 WeakPolarHBondContact O-CB 3.42Å; Y70-F73 PolarHBondContact O-N 3.19Å; Y70-F73 VanDerWaalsContact O-N 3.11Å; F73-R75 VanDerWaalsContact C-N 3.35Å; F73-R75 PolarHBondContact O-N 3.32Å; F73-E76 PolarHBondContact O-N 3.26Å; F73-M77 HydrophobicContact CB-CE 4.46Å; F73-M77 HydrophobicContact CB-SD 4.41Å; F73-M77 HydrophobicContact CD1-CE 3.78Å; F73-M77 HydrophobicContact CE1-CE 4.39Å; F73-M77 HydrophobicContact CG-CE 4.34Å; F73-M77 VanDerWaalsContact O-CB 3.25Å; F73-M77 WeakPolarHBondContact O-CB 3.45Å; F73-M77 WeakPolarHBondContact O-CG 3.23Å; F73-M77 PolarHBondContact O-N 2.97Å; F73-I217 HydrophobicContact CB-CG2 3.87Å; F73-I217 HydrophobicContact CD2-CG2 4.2Å; F73-I217 HydrophobicContact CG-CG2 4.28Å; F73-L221 HydrophobicContact CD1-CD1 4.44Å; F73-L221 HydrophobicContact CD2-CD1 3.98Å; F73-L221 HydrophobicContact CE1-CD1 4.29Å; F73-L221 HydrophobicContact CE1-CD2 4.27Å; F73-L221 HydrophobicContact CE2-CD1 3.82Å; F73-L221 HydrophobicContact CG-CD1 4.3Å; F73-L221 HydrophobicContact CZ-CD1 3.98Å; F73-F259 HydrophobicContact CD2-CE1 4.15Å; F73-F259 HydrophobicContact CD2-CZ 4.33Å; F73-F259 AromaticContact CE2-CE1 3.9Å; F73-F259 HydrophobicContact CE2-CE1 3.9Å; F73-F259 HydrophobicContact CE2-CZ 4.24Å
74L90.3Very high82.2Confident10 Ų1052.6 Ų52.65%0.05227%0.268CS..Iπ-helixtrans-56.4-49.4173.9-68.1172.4000111.3Y70 A71 Q72 E76 I78 I79 I148 R213 I217Y70-L74 HydrophobicContact CD1-CD1 3.99Å; Y70-L74 HydrophobicContact CD1-CG 4.24Å; Y70-L74 HydrophobicContact CE1-CD1 3.85Å; Y70-L74 HydrophobicContact CE1-CD2 4.12Å; Y70-L74 HydrophobicContact CE1-CG 3.99Å; Y70-L74 WeakPolarHBondContact O-CG 3.42Å; Y70-L74 PolarHBondContact O-N 2.89Å; A71-L74 WeakPolarHBondContact O-CB 3.38Å; A71-L74 PolarHBondContact O-N 3.33Å; Q72-L74 VanDerWaalsContact C-N 3.28Å; Q72-L74 PolarHBondContact O-N 3.06Å; L74-E76 PolarHBondContact O-N 3.47Å; L74-I78 HydrophobicContact CD2-CG1 4.13Å; L74-I78 VanDerWaalsContact O-CB 3.27Å; L74-I78 WeakPolarHBondContact O-CB 3.44Å; L74-I78 PolarHBondContact O-N 3.46Å; L74-I78 VanDerWaalsContact O-N 3.07Å; L74-I79 PolarHBondContact O-N 3.13Å; L74-I79 VanDerWaalsContact O-N 3.11Å; L74-I148 HydrophobicContact CD2-CD1 4.33Å; L74-R213 HydrophobicContact CD2-CG 3.84Å; L74-I217 HydrophobicContact CD2-CD1 3.7Å; L74-I217 HydrophobicContact CG-CD1 4.34Å
75R84.6Confident79.7Confident109 Ų10953.2 Ų53.241%0.41126%0.259SS..Iπ-helixtrans-64.4-38.4-179.3-67174-165.7118-3.8113.1E68 A71 Q72 F73 I79E68-R75 IonicContact OE1-CZ 2.72Å; E68-R75 IonicContact OE1-NH1 3.57Å; E68-R75 PolarHBondContact OE1-NH1 2.74Å; E68-R75 IonicContact OE1-NH2 3.9Å; A71-R75 WeakPolarHBondContact O-CG 3.44Å; A71-R75 PolarHBondContact O-N 3.34Å; Q72-R75 PolarHBondContact O-N 3.4Å; Q72-R75 VanDerWaalsContact O-N 3.1Å; F73-R75 VanDerWaalsContact C-N 3.35Å; F73-R75 PolarHBondContact O-N 3.32Å; R75-I79 HydrophobicContact CG-CD1 4.42Å
76E84.8Confident77.5Confident114 Ų11447.5 Ų47.553%0.53324%0.241SC..Iπ-helixtrans-85.2-34.3-174.8-69178.5-17500113.3Q72 F73 L74Q72-E76 HydrophobicContact CG-CG 4.34Å; Q72-E76 VanDerWaalsContact CG-OE1 3.31Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.41Å; Q72-E76 PolarHBondContact NE2-OE1 3.34Å; Q72-E76 PolarHBondContact O-N 3.02Å; F73-E76 PolarHBondContact O-N 3.26Å; L74-E76 PolarHBondContact O-N 3.47Å
77M86.8Confident75.3Confident24 Ų2451.9 Ų51.912%0.11827%0.267CS..Iπ-helixtrans-107.4-27.5-167.8-58-177.8-168.300113.8F73 I217 K220 L221F73-M77 HydrophobicContact CB-CE 4.46Å; F73-M77 HydrophobicContact CB-SD 4.41Å; F73-M77 HydrophobicContact CD1-CE 3.78Å; F73-M77 HydrophobicContact CE1-CE 4.39Å; F73-M77 HydrophobicContact CG-CE 4.34Å; F73-M77 VanDerWaalsContact O-CB 3.25Å; F73-M77 WeakPolarHBondContact O-CB 3.45Å; F73-M77 WeakPolarHBondContact O-CG 3.23Å; F73-M77 PolarHBondContact O-N 2.97Å; M77-I217 HydrophobicContact SD-CG2 4.15Å; M77-K220 HydrophobicContact CB-CD 4.17Å; M77-K220 HydrophobicContact SD-CB 4.07Å; M77-L221 HydrophobicContact CE-CD1 4.35Å; M77-L221 HydrophobicContact CE-CD2 3.41Å; M77-L221 VanDerWaalsContact CE-CD2 3.41Å; M77-L221 HydrophobicContact CE-CG 3.74Å; M77-L221 HydrophobicContact SD-CD2 4.41Å; M77-L221 HydrophobicContact SD-CG 4.09Å
78I82Confident73.3Confident7 Ų756.3 Ų56.34%0.03629%0.29CS..Iπ-helixtrans-100.8-47.3179.6-50.6-57.8000110.4L74 Q80 I148 L158 R213 F216 I217L74-I78 HydrophobicContact CD2-CG1 4.13Å; L74-I78 VanDerWaalsContact O-CB 3.27Å; L74-I78 WeakPolarHBondContact O-CB 3.44Å; L74-I78 PolarHBondContact O-N 3.46Å; L74-I78 VanDerWaalsContact O-N 3.07Å; I78-Q80 PolarHBondContact O-N 2.86Å; I78-I148 HydrophobicContact CG2-CD1 3.83Å; I78-I148 HydrophobicContact CG2-CG1 4.32Å; I78-L158 HydrophobicContact CD1-CD1 4.06Å; I78-L158 HydrophobicContact CD1-CD2 4.09Å; I78-L158 HydrophobicContact CD1-CG 4.3Å; I78-L158 HydrophobicContact CG2-CD2 4.32Å; I78-L158 HydrophobicContact CG2-CG 4.11Å; I78-R213 HydrophobicContact CD1-CG 4.13Å; I78-R213 HydrophobicContact CG1-CG 4.14Å; I78-F216 HydrophobicContact CD1-CD1 3.45Å; I78-F216 VanDerWaalsContact CD1-CD1 3.45Å; I78-F216 HydrophobicContact CD1-CE1 3.93Å; I78-I217 HydrophobicContact CD1-CD1 4.43Å; I78-I217 HydrophobicContact CD1-CG1 3.95Å; I78-I217 HydrophobicContact CG1-CD1 4.24Å; I78-I217 HydrophobicContact CG1-CG1 4.21Å
79I68.3Low71.2Confident19 Ų1954.8 Ų54.810%0.09730%0.303CS..SBendtrans-87.589-173.5-56.2-179.8000109.5L74 R75 P81 L147 I148 F155L74-I79 PolarHBondContact O-N 3.13Å; L74-I79 VanDerWaalsContact O-N 3.11Å; R75-I79 HydrophobicContact CG-CD1 4.42Å; I79-P81 WeakPolarHBondContact O-CD 3.42Å; I79-L147 HydrophobicContact CD1-CB 4.05Å; I79-L147 WeakPolarHBondContact CD1-O 3.29Å; I79-I148 HydrophobicContact CG1-CG1 4.45Å; I79-F155 HydrophobicContact CB-CG 4.49Å; I79-F155 HydrophobicContact CG2-CB 3.74Å; I79-F155 HydrophobicContact CG2-CD1 3.53Å; I79-F155 HydrophobicContact CG2-CD2 3.22Å; I79-F155 HydrophobicContact CG2-CE1 3.88Å; I79-F155 HydrophobicContact CG2-CE2 3.64Å; I79-F155 HydrophobicContact CG2-CG 3.2Å; I79-F155 HydrophobicContact CG2-CZ 3.95Å
80Q63.5Low69.2Low54 Ų5455.7 Ų55.725%0.25231%0.311SS..  trans-88.4122.2-179.8-69.9-167.6-0.300112.8I78 G82I78-Q80 PolarHBondContact O-N 2.86Å; Q80-G82 PolarHBondContact O-N 2.72Å
81P50.5Low67.3Low109 Ų10960.3 Ų60.371%0.70834%0.344SS*.THydrogen-bonded Turntrans-75112.8173.628.1-30.1000110.1I79 F155I79-P81 WeakPolarHBondContact O-CD 3.42Å; P81-F155 HydrophobicContact CB-CE1 4.42Å
82G50.8Low66Low9 Ų962.7 Ų62.79%0.09335%0.35CS..THydrogen-bonded Turntrans158-33.3172.700000114.9Q80Q80-G82 PolarHBondContact O-N 2.72Å
83I53.1Low64.7Low25 Ų2565.1 Ų65.113%0.12836%0.361CS..Hα-helixtrans-83.1-45.8-169.4-60.6176000112.8K85 A86 Y113 E156I83-K85 PolarHBondContact O-N 3.31Å; I83-A86 VanDerWaalsContact O-CB 3.24Å; I83-A86 WeakPolarHBondContact O-CB 3.48Å; I83-A86 PolarHBondContact O-N 2.89Å; I83-Y113 HydrophobicContact CD1-CE2 4.3Å; I83-E156 HydrophobicContact CB-CB 4.36Å; I83-E156 HydrophobicContact CD1-CB 4.32Å; I83-E156 WeakPolarHBondContact CD1-OE2 3.39Å; I83-E156 HydrophobicContact CG2-CB 4.31Å
84A48Very low63.5Low18 Ų1866 Ų6615%0.14937%0.367CS..Hα-helixtrans-77.2-20-175.800000114.7A86 N87 E154A84-A86 PolarHBondContact O-N 3.33Å; A84-N87 PolarHBondContact O-N 3.09Å; A84-N87 VanDerWaalsContact O-N 3.13Å; A84-E154 HydrophobicContact CB-CB 3.81Å; A84-E154 WeakPolarHBondContact CB-O 3.49Å
85K46.4Very low62.9Low74 Ų7468.2 Ų68.232%0.32238%0.381SS..Hα-helixtrans-60-30.1169-77.9-171.4177.5176.30112.2I83 N87 M88 V90 E93 E154I83-K85 PolarHBondContact O-N 3.31Å; K85-N87 VanDerWaalsContact C-N 3.3Å; K85-N87 PolarHBondContact O-N 3.47Å; K85-M88 PolarHBondContact O-N 3.29Å; K85-M88 VanDerWaalsContact O-N 3.14Å; K85-V90 HydrophobicContact CB-CB 4.35Å; K85-V90 PolarHBondContact O-N 3.49Å; K85-E93 IonicContact NZ-OE1 3.55Å; K85-E93 PolarHBondContact NZ-OE1 3.29Å; K85-E93 IonicContact NZ-OE2 3.41Å; K85-E154 WeakPolarHBondContact CG-OE2 3.41Å
86A50.5Low62.8Low38 Ų3866.3 Ų66.331%0.31438%0.382SS..Hα-helixtrans-63.2-36.5176.500000112.3I83 A84 M88 G89 R92I83-A86 VanDerWaalsContact O-CB 3.24Å; I83-A86 WeakPolarHBondContact O-CB 3.48Å; I83-A86 PolarHBondContact O-N 2.89Å; A84-A86 PolarHBondContact O-N 3.33Å; A86-M88 PolarHBondContact O-N 2.94Å; A86-G89 PolarHBondContact O-N 2.85Å; A86-G89 VanDerWaalsContact O-N 3.14Å; A86-R92 HydrophobicContact CB-CG 3.58Å
87N51.8Low62.7Low145 Ų14569.9 Ų69.978%0.77540%0.395SS*.Hα-helixtrans-70.7-17.9177.8-70.4-25.4000112.9A84 K85A84-N87 PolarHBondContact O-N 3.09Å; A84-N87 VanDerWaalsContact O-N 3.13Å; K85-N87 VanDerWaalsContact C-N 3.3Å; K85-N87 PolarHBondContact O-N 3.47Å
88M55.5Low62.5Low127 Ų12775.7 Ų75.763%0.62642%0.422SS*.THydrogen-bonded Turntrans-92.48.7173.3-61.1-157.3-172.200113.4K85 A86 V90 E154K85-M88 PolarHBondContact O-N 3.29Å; K85-M88 VanDerWaalsContact O-N 3.14Å; A86-M88 PolarHBondContact O-N 2.94Å; M88-V90 HydrophobicContact CB-CG2 4.42Å; M88-V90 PolarHBondContact O-N 3.27Å; M88-E154 HydrophobicContact CE-CG 3.94Å; M88-E154 WeakPolarHBondContact CE-OE1 3.46Å
89G54.2Low62.5Low74 Ų7476.7 Ų76.776%0.76343%0.428SS*.THydrogen-bonded Turntrans73.912.7179.700000114.4A86A86-G89 PolarHBondContact O-N 2.85Å; A86-G89 VanDerWaalsContact O-N 3.14Å
90V55.5Low63.3Low76 Ų7678.7 Ų78.746%0.46144%0.437SS..  trans-85.7141173.8-173.20000108.9K85 M88 R92K85-V90 HydrophobicContact CB-CB 4.35Å; K85-V90 PolarHBondContact O-N 3.49Å; M88-V90 HydrophobicContact CB-CG2 4.42Å; M88-V90 PolarHBondContact O-N 3.27Å; V90-R92 PolarHBondContact O-N 2.91Å
91S56.9Low64.3Low105 Ų10578.6 Ų78.673%0.73444%0.44SS*.  trans-56.9135177.4-168.20000110.7E93S91-E93 PolarHBondContact O-N 3.47Å
92R65.3Low66Low66 Ų6680.4 Ų80.425%0.24944%0.443CS..  trans-69.198.7178.5-86.4-16861.4170.613.2110.3A86 V90 D94 V95 W110A86-R92 HydrophobicContact CB-CG 3.58Å; V90-R92 PolarHBondContact O-N 2.91Å; R92-D94 VanDerWaalsContact CB-OD1 3.32Å; R92-D94 WeakPolarHBondContact CB-OD1 3.41Å; R92-D94 IonicContact CZ-OD1 3.43Å; R92-D94 IonicContact CZ-OD2 3.59Å; R92-D94 IonicContact NE-OD1 2.82Å; R92-D94 PolarHBondContact NE-OD1 3.44Å; R92-D94 IonicContact NE-OD2 3.68Å; R92-D94 IonicContact NH2-OD1 3.18Å; R92-D94 PolarHBondContact NH2-OD1 3.28Å; R92-D94 IonicContact NH2-OD2 2.64Å; R92-D94 PolarHBondContact NH2-OD2 3.19Å; R92-D94 PolarHBondContact O-N 3.15Å; R92-D94 VanDerWaalsContact O-N 3.1Å; R92-V95 HydrophobicContact CB-CB 4.22Å; R92-V95 HydrophobicContact CB-CG2 4.11Å; R92-V95 PolarHBondContact O-N 3.31Å; R92-W110 VanDerWaalsContact CZ-CZ2 3.44Å; R92-W110 VanDerWaalsContact NH1-CH2 3.34Å
93E65.2Low67.7Low137 Ų13781.4 Ų81.464%0.6445%0.447SS*.THydrogen-bonded Turntrans-57.7-22.8178.2-67.6169.6-15800112.8K85 S91K85-E93 IonicContact NZ-OE1 3.55Å; K85-E93 PolarHBondContact NZ-OE1 3.29Å; K85-E93 IonicContact NZ-OE2 3.41Å; S91-E93 PolarHBondContact O-N 3.47Å
94D70.1Confident69.3Low47 Ų4785.6 Ų85.625%0.25148%0.475SS..THydrogen-bonded Turntrans-87.5-6.7179.665.1-20.5000114.6R92 W110R92-D94 VanDerWaalsContact CB-OD1 3.32Å; R92-D94 WeakPolarHBondContact CB-OD1 3.41Å; R92-D94 IonicContact CZ-OD1 3.43Å; R92-D94 IonicContact CZ-OD2 3.59Å; R92-D94 IonicContact NE-OD1 2.82Å; R92-D94 PolarHBondContact NE-OD1 3.44Å; R92-D94 IonicContact NE-OD2 3.68Å; R92-D94 IonicContact NH2-OD1 3.18Å; R92-D94 PolarHBondContact NH2-OD1 3.28Å; R92-D94 IonicContact NH2-OD2 2.64Å; R92-D94 PolarHBondContact NH2-OD2 3.19Å; R92-D94 PolarHBondContact O-N 3.15Å; R92-D94 VanDerWaalsContact O-N 3.1Å; D94-W110 PolarHBondContact O-NE1 3.36Å
95V77.3Confident71.1Confident56 Ų5688.2 Ų88.234%0.33949%0.487SS..  trans-107.1104.3172-179.10000108.5R92 H100 W110R92-V95 HydrophobicContact CB-CB 4.22Å; R92-V95 HydrophobicContact CB-CG2 4.11Å; R92-V95 PolarHBondContact O-N 3.31Å; V95-H100 HydrophobicContact CG1-CB 4.09Å; V95-W110 HydrophobicContact CG2-CZ2 3.58Å
96T81.9Confident73Confident69 Ų6988.9 Ų88.942%0.42350%0.499SS..  trans-112169.4176.5680000109.9E98 D99T96-E98 PolarHBondContact O-N 3.37Å; T96-E98 PolarHBondContact OG1-N 3.36Å; T96-D99 PolarHBondContact N-O 3.09Å; T96-D99 CarbonylContact O-C 3.45Å; T96-D99 PolarHBondContact O-N 3.32Å; T96-D99 VanDerWaalsContact O-O 3.11Å; T96-D99 PolarHBondContact OG1-N 3.02Å
97F82Confident74.8Confident188 Ų18894 Ų9483%0.82552%0.521SS*.SBendtrans-60.7-33.1172.4-171-96.8000111.9
98E83.5Confident76.4Confident146 Ų14687.2 Ų87.268%0.68249%0.485SS*.SBendtrans-85-24.4-177.8-58.7-58.9152.300113.3T96 N103T96-E98 PolarHBondContact O-N 3.37Å; T96-E98 PolarHBondContact OG1-N 3.36Å; E98-N103 PolarHBondContact O-ND2 2.77Å
99D82.5Confident77.8Confident28 Ų2890.9 Ų90.915%0.1549%0.492CS..SBendtrans-141.3109.1179.1-160.710000110.9T96 S108 R109T96-D99 PolarHBondContact N-O 3.09Å; T96-D99 CarbonylContact O-C 3.45Å; T96-D99 PolarHBondContact O-N 3.32Å; T96-D99 VanDerWaalsContact O-O 3.11Å; T96-D99 PolarHBondContact OG1-N 3.02Å; D99-S108 WeakPolarHBondContact OD1-CB 3.4Å; D99-S108 PolarHBondContact OD1-OG 3.38Å; D99-R109 VanDerWaalsContact OD2-CB 3.23Å; D99-R109 WeakPolarHBondContact OD2-CB 3.41Å; D99-R109 WeakPolarHBondContact OD2-CG 3.4Å; D99-R109 PolarHBondContact OD2-N 2.84Å
100H85.5Confident79.2Confident62 Ų6288.4 Ų88.429%0.28746%0.46SS..  trans-145.2165-173.66687.9000110.6V95 L102 N103 W110V95-H100 HydrophobicContact CG1-CB 4.09Å; H100-L102 PolarHBondContact ND1-N 2.88Å; H100-L102 VanDerWaalsContact ND1-N 3.17Å; H100-L102 PolarHBondContact O-N 3.28Å; H100-N103 PolarHBondContact CE1-N 2.89Å; H100-N103 VanDerWaalsContact CE1-N 3.3Å; H100-N103 PolarHBondContact ND1-N 3.46Å; H100-N103 VanDerWaalsContact O-CB 3.23Å; H100-N103 WeakPolarHBondContact O-CB 3.47Å; H100-N103 PolarHBondContact O-N 3.3Å; H100-W110 VanDerWaalsContact C-CG 3.45Å; H100-W110 VanDerWaalsContact CA-CD1 3.43Å
101P84.3Confident80.6Confident51 Ų5186.7 Ų86.733%0.33145%0.448SS..THydrogen-bonded Turntrans-56.3-17.2-175.6-29.234.8000117W110 F114P101-W110 HydrophobicContact CB-CD2 4.2Å; P101-W110 HydrophobicContact CB-CE3 4.13Å; P101-W110 HydrophobicContact CB-CZ3 4.38Å; P101-W110 HydrophobicContact CG-CD2 3.82Å; P101-W110 HydrophobicContact CG-CE3 3.97Å; P101-W110 HydrophobicContact CG-CG 4.48Å; P101-W110 HydrophobicContact CG-CH2 3.74Å; P101-W110 HydrophobicContact CG-CZ2 3.58Å; P101-W110 HydrophobicContact CG-CZ3 3.96Å; P101-F114 HydrophobicContact CB-CE2 4.31Å; P101-F114 HydrophobicContact CB-CZ 4.1Å; P101-F114 VanDerWaalsContact O-CE2 3.31Å; P101-F114 WeakPolarHBondContact O-CE2 3.44Å
102L85.8Confident82.1Confident147 Ų14784.7 Ų84.777%0.7743%0.431SS*.THydrogen-bonded Turntrans-110.78.9-178.3-56.2177.5000111.7H100 P104H100-L102 PolarHBondContact ND1-N 2.88Å; H100-L102 VanDerWaalsContact ND1-N 3.17Å; H100-L102 PolarHBondContact O-N 3.28Å; L102-P104 WeakPolarHBondContact O-CD 3.13Å
103N85.2Confident83Confident30 Ų3082.6 Ų82.616%0.1642%0.423CS..  trans-68.8119.1178.9-175.2-10.5000109E98 H100 N105E98-N103 PolarHBondContact O-ND2 2.77Å; H100-N103 PolarHBondContact CE1-N 2.89Å; H100-N103 VanDerWaalsContact CE1-N 3.3Å; H100-N103 PolarHBondContact ND1-N 3.46Å; H100-N103 VanDerWaalsContact O-CB 3.23Å; H100-N103 WeakPolarHBondContact O-CB 3.47Å; H100-N103 PolarHBondContact O-N 3.3Å; N103-N105 PolarHBondContact O-N 3.33Å; N103-N105 WeakPolarHBondContact OD1-CB 3.45Å; N103-N105 PolarHBondContact OD1-N 3.43Å
104P87.2Confident84Confident113 Ų11380 Ų8073%0.73441%0.41SS*.  trans-76.3-8.8-17932.6-36.8000113.3L102 P106L102-P104 WeakPolarHBondContact O-CD 3.13Å; P104-P106 WeakPolarHBondContact O-CD 3.37Å
105N87.4Confident84.8Confident73 Ų7382.7 Ų82.739%0.3942%0.42SS..  trans-60.3126.4-177.9-170.5-19.3000110.6N103 D107 S108N103-N105 PolarHBondContact O-N 3.33Å; N103-N105 WeakPolarHBondContact OD1-CB 3.45Å; N103-N105 PolarHBondContact OD1-N 3.43Å; N105-D107 PolarHBondContact O-N 2.96Å; N105-D107 PolarHBondContact OD1-N 3.41Å; N105-S108 WeakPolarHBondContact O-CB 3.36Å; N105-S108 PolarHBondContact O-N 3.27Å
106P86.1Confident85.4Confident88 Ų8881 Ų8157%0.57141%0.409SS*.THydrogen-bonded Turntrans-56.1-29.9174.8-2735.5000114.5P104 S108P104-P106 WeakPolarHBondContact O-CD 3.37Å; P106-S108 VanDerWaalsContact C-N 3.27Å; P106-S108 PolarHBondContact O-N 2.87Å
107D86.8Confident85.8Confident145 Ų14578.1 Ų78.178%0.77539%0.391SS*.THydrogen-bonded Turntrans-85.30.9-179.4-60.4-32.4000113N105N105-D107 PolarHBondContact O-N 2.96Å; N105-D107 PolarHBondContact OD1-N 3.41Å
108S86.7Confident86.1Confident3 Ų375.8 Ų75.82%0.02138%0.383CS..  trans-61.3135.9175.2166.80000110.9D99 N105 P106 W110 N111 T112D99-S108 WeakPolarHBondContact OD1-CB 3.4Å; D99-S108 PolarHBondContact OD1-OG 3.38Å; N105-S108 WeakPolarHBondContact O-CB 3.36Å; N105-S108 PolarHBondContact O-N 3.27Å; P106-S108 VanDerWaalsContact C-N 3.27Å; P106-S108 PolarHBondContact O-N 2.87Å; S108-W110 PolarHBondContact O-N 3.18Å; S108-W110 WeakPolarHBondContact OG-CB 3.4Å; S108-W110 PolarHBondContact OG-N 3.18Å; S108-W110 VanDerWaalsContact OG-N 3.1Å; S108-N111 PolarHBondContact O-N 3.49Å; S108-N111 PolarHBondContact OG-N 2.64Å; S108-T112 PolarHBondContact O-N 3.11Å; S108-T112 VanDerWaalsContact O-N 3.1Å; S108-T112 PolarHBondContact O-OG1 3.13Å
109R84.5Confident86.6Confident205 Ų20570.5 Ų70.577%0.77436%0.36SS*.Hα-helixtrans-63.3-31.8173.2-63.4178.9175.1-172.5-0.9110.8D99 T112 Y113D99-R109 VanDerWaalsContact OD2-CB 3.23Å; D99-R109 WeakPolarHBondContact OD2-CB 3.41Å; D99-R109 WeakPolarHBondContact OD2-CG 3.4Å; D99-R109 PolarHBondContact OD2-N 2.84Å; R109-T112 PolarHBondContact O-N 3.06Å; R109-Y113 VanDerWaalsContact O-CB 3.31Å; R109-Y113 WeakPolarHBondContact O-CB 3.35Å; R109-Y113 PolarHBondContact O-N 3.43Å
110W84.1Confident87.1Confident22 Ų2269.3 Ų69.38%0.08335%0.353CS..Hα-helixtrans-67.5-42.8174.7-79.3100.7000113.3R92 D94 V95 H100 P101 S108 T112 Y113 F114R92-W110 VanDerWaalsContact CZ-CZ2 3.44Å; R92-W110 VanDerWaalsContact NH1-CH2 3.34Å; D94-W110 PolarHBondContact O-NE1 3.36Å; V95-W110 HydrophobicContact CG2-CZ2 3.58Å; H100-W110 VanDerWaalsContact C-CG 3.45Å; H100-W110 VanDerWaalsContact CA-CD1 3.43Å; P101-W110 HydrophobicContact CB-CD2 4.2Å; P101-W110 HydrophobicContact CB-CE3 4.13Å; P101-W110 HydrophobicContact CB-CZ3 4.38Å; P101-W110 HydrophobicContact CG-CD2 3.82Å; P101-W110 HydrophobicContact CG-CE3 3.97Å; P101-W110 HydrophobicContact CG-CG 4.48Å; P101-W110 HydrophobicContact CG-CH2 3.74Å; P101-W110 HydrophobicContact CG-CZ2 3.58Å; P101-W110 HydrophobicContact CG-CZ3 3.96Å; S108-W110 PolarHBondContact O-N 3.18Å; S108-W110 WeakPolarHBondContact OG-CB 3.4Å; S108-W110 PolarHBondContact OG-N 3.18Å; S108-W110 VanDerWaalsContact OG-N 3.1Å; W110-T112 VanDerWaalsContact C-N 3.31Å; W110-T112 PolarHBondContact O-N 3.28Å; W110-Y113 HydrophobicContact CE3-CD1 4.01Å; W110-Y113 HydrophobicContact CE3-CG 4.46Å; W110-Y113 AromaticContact CZ3-CD1 3.98Å; W110-Y113 HydrophobicContact CZ3-CD1 3.98Å; W110-Y113 HydrophobicContact CZ3-CE1 4.16Å; W110-Y113 WeakPolarHBondContact O-CB 3.41Å; W110-Y113 PolarHBondContact O-N 3.15Å; W110-F114 HydrophobicContact CB-CE2 4.25Å; W110-F114 HydrophobicContact CE3-CE1 4.46Å; W110-F114 AromaticContact CE3-CE2 3.88Å; W110-F114 HydrophobicContact CE3-CE2 3.88Å; W110-F114 AromaticContact CE3-CZ 3.71Å; W110-F114 HydrophobicContact CE3-CZ 3.71Å; W110-F114 HydrophobicContact CZ3-CZ 4.03Å; W110-F114 WeakPolarHBondContact O-CD2 3.45Å; W110-F114 WeakPolarHBondContact O-CG 3.27Å; W110-F114 PolarHBondContact O-N 3.13Å
111N85Confident87.4Confident40 Ų4067.8 Ų67.821%0.21435%0.348CS..Hα-helixtrans-60.8-44.5175.2-165.5-47.4000110.8S108 Y113 F114 K115S108-N111 PolarHBondContact O-N 3.49Å; S108-N111 PolarHBondContact OG-N 2.64Å; N111-Y113 PolarHBondContact O-N 3.44Å; N111-F114 PolarHBondContact O-N 3.12Å; N111-K115 WeakPolarHBondContact O-CG 3.24Å; N111-K115 PolarHBondContact O-N 3.21Å; N111-K115 VanDerWaalsContact O-N 3.08Å; N111-K115 WeakPolarHBondContact OD1-CE 3.42Å; N111-K115 PolarHBondContact OD1-NZ 3.32Å
112T86.7Confident87.8Confident63 Ų6369 Ų6939%0.38735%0.348SS..Hα-helixtrans-60.4-44.2173-55.50000111.7S108 R109 W110 F114 K115 D116S108-T112 PolarHBondContact O-N 3.11Å; S108-T112 VanDerWaalsContact O-N 3.1Å; S108-T112 PolarHBondContact O-OG1 3.13Å; R109-T112 PolarHBondContact O-N 3.06Å; W110-T112 VanDerWaalsContact C-N 3.31Å; W110-T112 PolarHBondContact O-N 3.28Å; T112-F114 VanDerWaalsContact C-N 3.34Å; T112-F114 PolarHBondContact O-N 2.77Å; T112-K115 PolarHBondContact O-N 2.92Å; T112-D116 WeakPolarHBondContact O-CB 3.26Å; T112-D116 PolarHBondContact O-N 3.14Å
113Y85.1Confident88.3Confident21 Ų2162 Ų628%0.08231%0.312CS..Hα-helixtrans-58.6-42.3177.3175.2-91000112.6I83 R109 W110 N111 D116 N117 E156 R161I83-Y113 HydrophobicContact CD1-CE2 4.3Å; R109-Y113 VanDerWaalsContact O-CB 3.31Å; R109-Y113 WeakPolarHBondContact O-CB 3.35Å; R109-Y113 PolarHBondContact O-N 3.43Å; W110-Y113 HydrophobicContact CE3-CD1 4.01Å; W110-Y113 HydrophobicContact CE3-CG 4.46Å; W110-Y113 AromaticContact CZ3-CD1 3.98Å; W110-Y113 HydrophobicContact CZ3-CD1 3.98Å; W110-Y113 HydrophobicContact CZ3-CE1 4.16Å; W110-Y113 WeakPolarHBondContact O-CB 3.41Å; W110-Y113 PolarHBondContact O-N 3.15Å; N111-Y113 PolarHBondContact O-N 3.44Å; Y113-D116 WeakPolarHBondContact O-CB 3.35Å; Y113-D116 PolarHBondContact O-N 2.94Å; Y113-N117 VanDerWaalsContact CE1-ND2 3.28Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3.34Å; Y113-N117 VanDerWaalsContact O-CG 3.31Å; Y113-N117 PolarHBondContact O-N 3.35Å; Y113-N117 PolarHBondContact O-OD1 3.38Å; Y113-N117 VanDerWaalsContact O-OD1 3.05Å; Y113-E156 PolarHBondContact OH-OE2 3.3Å; Y113-R161 VanDerWaalsContact CD2-NH2 3.29Å; Y113-R161 HydrophobicContact CE2-CG 4.49Å; Y113-R161 PolarHBondContact O-NH2 2.94Å
114F86.3Confident88.7Confident84 Ų8461 Ų6137%0.36831%0.307SS..Hα-helixtrans-70.1-39.4177.9-66.3-55.3000112.7P101 W110 N111 T112 D116 N117 E118P101-F114 HydrophobicContact CB-CE2 4.31Å; P101-F114 HydrophobicContact CB-CZ 4.1Å; P101-F114 VanDerWaalsContact O-CE2 3.31Å; P101-F114 WeakPolarHBondContact O-CE2 3.44Å; W110-F114 HydrophobicContact CB-CE2 4.25Å; W110-F114 HydrophobicContact CE3-CE1 4.46Å; W110-F114 AromaticContact CE3-CE2 3.88Å; W110-F114 HydrophobicContact CE3-CE2 3.88Å; W110-F114 AromaticContact CE3-CZ 3.71Å; W110-F114 HydrophobicContact CE3-CZ 3.71Å; W110-F114 HydrophobicContact CZ3-CZ 4.03Å; W110-F114 WeakPolarHBondContact O-CD2 3.45Å; W110-F114 WeakPolarHBondContact O-CG 3.27Å; W110-F114 PolarHBondContact O-N 3.13Å; N111-F114 PolarHBondContact O-N 3.12Å; T112-F114 VanDerWaalsContact C-N 3.34Å; T112-F114 PolarHBondContact O-N 2.77Å; F114-D116 VanDerWaalsContact C-N 3.33Å; F114-D116 PolarHBondContact O-N 2.88Å; F114-N117 WeakPolarHBondContact O-CB 3.48Å; F114-N117 PolarHBondContact O-N 3.5Å; F114-N117 VanDerWaalsContact O-N 3.12Å; F114-E118 PolarHBondContact O-N 2.85Å; F114-E118 VanDerWaalsContact O-N 3.08Å
115K87.8Confident88.9Confident103 Ų10361.4 Ų61.445%0.44830%0.297SS..Hα-helixtrans-61.1-43.6172.4-72.2170.6177.4160.20111.6N111 T112 N117 E118 V119N111-K115 WeakPolarHBondContact O-CG 3.24Å; N111-K115 PolarHBondContact O-N 3.21Å; N111-K115 VanDerWaalsContact O-N 3.08Å; N111-K115 WeakPolarHBondContact OD1-CE 3.42Å; N111-K115 PolarHBondContact OD1-NZ 3.32Å; T112-K115 PolarHBondContact O-N 2.92Å; K115-N117 VanDerWaalsContact C-N 3.26Å; K115-N117 PolarHBondContact O-N 3.33Å; K115-E118 WeakPolarHBondContact O-CB 3.35Å; K115-E118 PolarHBondContact O-N 3.43Å; K115-V119 PolarHBondContact O-N 2.88Å; K115-V119 VanDerWaalsContact O-N 3.12Å
116D89.9Confident89.3Confident21 Ų2158.3 Ų58.311%0.11228%0.28CS..Hα-helixtrans-58.9-38.4173.9-78.80.4000111.2T112 Y113 F114 V119 L120 F216 K220T112-D116 WeakPolarHBondContact O-CB 3.26Å; T112-D116 PolarHBondContact O-N 3.14Å; Y113-D116 WeakPolarHBondContact O-CB 3.35Å; Y113-D116 PolarHBondContact O-N 2.94Å; F114-D116 VanDerWaalsContact C-N 3.33Å; F114-D116 PolarHBondContact O-N 2.88Å; D116-V119 PolarHBondContact O-N 2.83Å; D116-L120 VanDerWaalsContact O-CB 3.3Å; D116-L120 WeakPolarHBondContact O-CB 3.38Å; D116-L120 PolarHBondContact O-N 2.89Å; D116-F216 HydrophobicContact CB-CE2 4.15Å; D116-F216 HydrophobicContact CB-CZ 4Å; D116-K220 WeakPolarHBondContact OD2-CE 3.34Å; D116-K220 IonicContact OD2-NZ 3.06Å; D116-K220 PolarHBondContact OD2-NZ 3.1Å
117N88.4Confident89.7Confident8 Ų854.1 Ų54.14%0.04325%0.253CS..Hα-helixtrans-65.1-38.7176.4-70.84.5000112.3Y113 F114 K115 L120 L121 R161 T165Y113-N117 VanDerWaalsContact CE1-ND2 3.28Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3.34Å; Y113-N117 VanDerWaalsContact O-CG 3.31Å; Y113-N117 PolarHBondContact O-N 3.35Å; Y113-N117 PolarHBondContact O-OD1 3.38Å; Y113-N117 VanDerWaalsContact O-OD1 3.05Å; F114-N117 WeakPolarHBondContact O-CB 3.48Å; F114-N117 PolarHBondContact O-N 3.5Å; F114-N117 VanDerWaalsContact O-N 3.12Å; K115-N117 VanDerWaalsContact C-N 3.26Å; K115-N117 PolarHBondContact O-N 3.33Å; N117-L120 PolarHBondContact O-N 3.3Å; N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 VanDerWaalsContact O-CG 3.3Å; N117-L121 WeakPolarHBondContact O-CG 3.47Å; N117-L121 PolarHBondContact O-N 3.4Å; N117-R161 PolarHBondContact OD1-NE 2.96Å; N117-R161 PolarHBondContact OD1-NH2 3.28Å; N117-T165 HydrophobicContact CB-CG2 4.23Å; N117-T165 PolarHBondContact ND2-OG1 3.41Å
118E90.2Very high89.9Confident139 Ų13948.8 Ų48.865%0.6522%0.222SC*.Hα-helixtrans-62.8-44.7176.5-68.9176.7179.200111.1F114 K115 L121 Q122F114-E118 PolarHBondContact O-N 2.85Å; F114-E118 VanDerWaalsContact O-N 3.08Å; K115-E118 WeakPolarHBondContact O-CB 3.35Å; K115-E118 PolarHBondContact O-N 3.43Å; E118-L121 PolarHBondContact O-N 2.83Å; E118-Q122 PolarHBondContact O-N 2.8Å
119V92.8Very high90.2Very high35 Ų3554.7 Ų54.721%0.21224%0.244CC..Hα-helixtrans-62.5-47.2174.8172.60000111K115 D116 L121 Q122 I123 A219K115-V119 PolarHBondContact O-N 2.88Å; K115-V119 VanDerWaalsContact O-N 3.12Å; D116-V119 PolarHBondContact O-N 2.83Å; V119-L121 VanDerWaalsContact C-N 3.32Å; V119-L121 PolarHBondContact O-N 3.33Å; V119-Q122 WeakPolarHBondContact O-CB 3.46Å; V119-Q122 PolarHBondContact O-N 2.93Å; V119-Q122 VanDerWaalsContact O-N 3.08Å; V119-I123 HydrophobicContact CG1-CD1 3.84Å; V119-I123 HydrophobicContact CG1-CG1 4.43Å; V119-I123 WeakPolarHBondContact O-CG1 3.12Å; V119-I123 PolarHBondContact O-N 3.41Å; V119-A219 HydrophobicContact CG1-CB 3.96Å
120L93Very high90.6Very high2 Ų245 Ų451%0.0121%0.208CC..Hα-helixtrans-59.1-42.7178.9-178.661.5000111.7D116 N117 Q122 I123 D124 L158 R161 V162 E212 F216D116-L120 VanDerWaalsContact O-CB 3.3Å; D116-L120 WeakPolarHBondContact O-CB 3.38Å; D116-L120 PolarHBondContact O-N 2.89Å; N117-L120 PolarHBondContact O-N 3.3Å; L120-Q122 PolarHBondContact O-N 3.45Å; L120-I123 PolarHBondContact O-N 2.91Å; L120-D124 WeakPolarHBondContact O-CB 3.11Å; L120-D124 PolarHBondContact O-N 3.34Å; L120-L158 HydrophobicContact CD1-CB 4.28Å; L120-L158 HydrophobicContact CD1-CD1 4.08Å; L120-L158 HydrophobicContact CD1-CD2 4.05Å; L120-L158 HydrophobicContact CD1-CG 4.36Å; L120-L158 HydrophobicContact CD2-CB 4.33Å; L120-L158 HydrophobicContact CD2-CD2 3.84Å; L120-R161 HydrophobicContact CD2-CB 4.13Å; L120-R161 HydrophobicContact CD2-CG 4.19Å; L120-V162 HydrophobicContact CD1-CG2 4.42Å; L120-V162 HydrophobicContact CD2-CG2 3.74Å; L120-V162 HydrophobicContact CG-CG2 3.67Å; L120-E212 HydrophobicContact CD1-CG 3.84Å; L120-F216 HydrophobicContact CB-CD2 3.97Å; L120-F216 HydrophobicContact CB-CE2 3.92Å; L120-F216 HydrophobicContact CD1-CB 4.47Å; L120-F216 HydrophobicContact CD1-CD2 3.85Å; L120-F216 HydrophobicContact CD1-CE2 4.43Å; L120-F216 HydrophobicContact CD1-CG 4.23Å; L120-F216 HydrophobicContact CG-CD2 4.43Å
121L91.5Very high90.9Very high31 Ų3145 Ų4516%0.16221%0.211CC..Hα-helixtrans-63.5-30176.4-79.1172.7000113.4N117 E118 V119 K125 V162 T165 T166N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 VanDerWaalsContact O-CG 3.3Å; N117-L121 WeakPolarHBondContact O-CG 3.47Å; N117-L121 PolarHBondContact O-N 3.4Å; E118-L121 PolarHBondContact O-N 2.83Å; V119-L121 VanDerWaalsContact C-N 3.32Å; V119-L121 PolarHBondContact O-N 3.33Å; L121-K125 WeakPolarHBondContact O-CD 3.5Å; L121-K125 VanDerWaalsContact O-CG 3.27Å; L121-K125 WeakPolarHBondContact O-CG 2.91Å; L121-K125 PolarHBondContact O-N 2.77Å; L121-V162 HydrophobicContact CD2-CG1 3.99Å; L121-T165 HydrophobicContact CD1-CG2 3.5Å; L121-T165 HydrophobicContact CG-CG2 4.34Å; L121-T166 HydrophobicContact CD2-CG2 3.64Å
122Q93.5Very high91.1Very high75 Ų7547.7 Ų47.735%0.3523%0.23SC..Hα-helixtrans-72.7-45.9174.4-163.6-172.5-24.800110.5E118 V119 L120 K125 D126 Y227E118-Q122 PolarHBondContact O-N 2.8Å; V119-Q122 WeakPolarHBondContact O-CB 3.46Å; V119-Q122 PolarHBondContact O-N 2.93Å; V119-Q122 VanDerWaalsContact O-N 3.08Å; L120-Q122 PolarHBondContact O-N 3.45Å; Q122-K125 PolarHBondContact O-N 3.15Å; Q122-D126 PolarHBondContact O-N 2.85Å; Q122-Y227 HydrophobicContact CB-CD1 4.16Å; Q122-Y227 HydrophobicContact CB-CE1 4.23Å; Q122-Y227 HydrophobicContact CG-CD1 4Å; Q122-Y227 HydrophobicContact CG-CE1 3.8Å
123I96.1Very high91.2Very high0 Ų050.8 Ų50.80%025%0.245CC..Hα-helixtrans-59.1-52.5176.7-64169.1000110.2V119 L120 K125 D126 V127 E212 L215 F216 Y227V119-I123 HydrophobicContact CG1-CD1 3.84Å; V119-I123 HydrophobicContact CG1-CG1 4.43Å; V119-I123 WeakPolarHBondContact O-CG1 3.12Å; V119-I123 PolarHBondContact O-N 3.41Å; L120-I123 PolarHBondContact O-N 2.91Å; I123-K125 VanDerWaalsContact C-N 3.29Å; I123-K125 PolarHBondContact O-N 2.96Å; I123-D126 PolarHBondContact O-N 3.08Å; I123-V127 HydrophobicContact CG2-CG1 3.89Å; I123-V127 WeakPolarHBondContact O-CG2 3.45Å; I123-V127 PolarHBondContact O-N 2.97Å; I123-E212 HydrophobicContact CG2-CB 4.32Å; I123-E212 HydrophobicContact CG2-CG 3.86Å; I123-L215 HydrophobicContact CD1-CB 4.06Å; I123-L215 HydrophobicContact CG1-CB 4.39Å; I123-L215 HydrophobicContact CG2-CB 3.85Å; I123-L215 HydrophobicContact CG2-CD1 3.9Å; I123-F216 HydrophobicContact CD1-CB 4.13Å; I123-F216 HydrophobicContact CD1-CD2 4.33Å; I123-Y227 HydrophobicContact CD1-CD2 4.17Å; I123-Y227 HydrophobicContact CD1-CG 4.01Å; I123-Y227 HydrophobicContact CG1-CD1 3.6Å; I123-Y227 HydrophobicContact CG1-CD2 3.61Å; I123-Y227 HydrophobicContact CG1-CE1 3.93Å; I123-Y227 HydrophobicContact CG1-CE2 3.93Å; I123-Y227 HydrophobicContact CG1-CG 3.43Å; I123-Y227 VanDerWaalsContact CG1-CG 3.43Å
124D93.7Very high91.5Very high10 Ų1052.2 Ų52.25%0.05325%0.253CS..Hα-helixtrans-50.4-47.5-179.4175.586.3000111.6L120 D126 V127 R128 V162 E212L120-D124 WeakPolarHBondContact O-CB 3.11Å; L120-D124 PolarHBondContact O-N 3.34Å; D124-D126 VanDerWaalsContact C-N 3.32Å; D124-D126 PolarHBondContact O-N 2.94Å; D124-V127 WeakPolarHBondContact O-CG2 3.4Å; D124-R128 WeakPolarHBondContact O-CB 3.37Å; D124-R128 WeakPolarHBondContact O-CD 3.4Å; D124-R128 WeakPolarHBondContact O-CG 3.34Å; D124-R128 PolarHBondContact O-N 2.88Å; D124-R128 VanDerWaalsContact O-N 3.15Å; D124-R128 IonicContact OD1-CZ 3.38Å; D124-R128 VanDerWaalsContact OD1-CZ 3.27Å; D124-R128 IonicContact OD1-NE 3.29Å; D124-R128 PolarHBondContact OD1-NE 3.26Å; D124-R128 IonicContact OD1-NH2 3.04Å; D124-R128 PolarHBondContact OD1-NH2 3.38Å; D124-R128 IonicContact OD2-CZ 2.88Å; D124-R128 IonicContact OD2-NE 3.09Å; D124-R128 PolarHBondContact OD2-NE 3.18Å; D124-R128 IonicContact OD2-NH2 2.71Å; D124-V162 HydrophobicContact CB-CG1 4.39Å; D124-V162 HydrophobicContact CB-CG2 4.16Å; D124-E212 VanDerWaalsContact CB-OE1 3.32Å; D124-E212 WeakPolarHBondContact CB-OE1 3.38Å
125K91.8Very high91.8Very high122 Ų12252.1 Ų52.153%0.5326%0.263SS..Hα-helixtrans-62.1-38.2178.5-72.9170.1-172.4167.60112.9L121 Q122 I123 R129L121-K125 WeakPolarHBondContact O-CD 3.5Å; L121-K125 VanDerWaalsContact O-CG 3.27Å; L121-K125 WeakPolarHBondContact O-CG 2.91Å; L121-K125 PolarHBondContact O-N 2.77Å; Q122-K125 PolarHBondContact O-N 3.15Å; I123-K125 VanDerWaalsContact C-N 3.29Å; I123-K125 PolarHBondContact O-N 2.96Å; K125-R129 PolarHBondContact O-NE 3.28Å
126D95.3Very high92.1Very high7 Ų748.3 Ų48.34%0.03725%0.246CC..Hα-helixtrans-80-43.4-175.4-71-13.9000111.4Q122 I123 D124 R128 R129 L130 Y227 Q229 N232Q122-D126 PolarHBondContact O-N 2.85Å; I123-D126 PolarHBondContact O-N 3.08Å; D124-D126 VanDerWaalsContact C-N 3.32Å; D124-D126 PolarHBondContact O-N 2.94Å; D126-R128 VanDerWaalsContact C-N 3.33Å; D126-R128 PolarHBondContact O-N 3.18Å; D126-R129 PolarHBondContact O-N 3.39Å; D126-R129 VanDerWaalsContact O-N 3.11Å; D126-R129 IonicContact OD1-CZ 2.72Å; D126-R129 IonicContact OD1-NH2 3.67Å; D126-R129 PolarHBondContact OD1-NH2 3.49Å; D126-L130 PolarHBondContact O-N 2.94Å; D126-Y227 WeakPolarHBondContact CB-OH 3.47Å; D126-Y227 VanDerWaalsContact CG-OH 3.3Å; D126-Y227 WeakPolarHBondContact OD2-CE1 3.36Å; D126-Y227 PolarHBondContact OD2-OH 2.91Å; D126-Q229 WeakPolarHBondContact OD2-CG 3.44Å; D126-N232 HydrophobicContact CB-CB 4.21Å; D126-N232 PolarHBondContact O-ND2 3.15Å
127V95.3Very high92.4Very high0 Ų047.4 Ų47.40%024%0.241CC..Hα-helixtrans-68.8-30179.5-59.40000112.9I123 D124 R129 L130 W208 V211 E212 L215 N232I123-V127 HydrophobicContact CG2-CG1 3.89Å; I123-V127 WeakPolarHBondContact O-CG2 3.45Å; I123-V127 PolarHBondContact O-N 2.97Å; D124-V127 WeakPolarHBondContact O-CG2 3.4Å; V127-R129 PolarHBondContact O-N 3.44Å; V127-L130 VanDerWaalsContact O-CB 3.24Å; V127-L130 WeakPolarHBondContact O-CB 3.43Å; V127-L130 PolarHBondContact O-N 3.21Å; V127-W208 HydrophobicContact CB-CB 4.47Å; V127-W208 HydrophobicContact CG2-CE3 3.78Å; V127-V211 HydrophobicContact CG1-CB 4.38Å; V127-V211 HydrophobicContact CG1-CG1 3.8Å; V127-E212 HydrophobicContact CG2-CB 4.04Å; V127-L215 HydrophobicContact CG1-CD1 3.59Å; V127-N232 HydrophobicContact CG1-CB 4.18Å
128R91.2Very high92.6Very high34 Ų3449.3 Ų49.313%0.12825%0.25CC..THydrogen-bonded Turntrans-63.4-25.2172.9-76.4174.7-170.1-83.4-5.5113D124 D126 Q138 Y197 W208D124-R128 WeakPolarHBondContact O-CB 3.37Å; D124-R128 WeakPolarHBondContact O-CD 3.4Å; D124-R128 WeakPolarHBondContact O-CG 3.34Å; D124-R128 PolarHBondContact O-N 2.88Å; D124-R128 VanDerWaalsContact O-N 3.15Å; D124-R128 IonicContact OD1-CZ 3.38Å; D124-R128 VanDerWaalsContact OD1-CZ 3.27Å; D124-R128 IonicContact OD1-NE 3.29Å; D124-R128 PolarHBondContact OD1-NE 3.26Å; D124-R128 IonicContact OD1-NH2 3.04Å; D124-R128 PolarHBondContact OD1-NH2 3.38Å; D124-R128 IonicContact OD2-CZ 2.88Å; D124-R128 IonicContact OD2-NE 3.09Å; D124-R128 PolarHBondContact OD2-NE 3.18Å; D124-R128 IonicContact OD2-NH2 2.71Å; D126-R128 VanDerWaalsContact C-N 3.33Å; D126-R128 PolarHBondContact O-N 3.18Å; R128-Q138 PolarHBondContact O-NE2 3.19Å; R128-Q138 VanDerWaalsContact O-NE2 3.1Å; R128-Y197 HydrophobicContact CB-CD2 4.1Å; R128-Y197 HydrophobicContact CB-CE2 4.28Å; R128-Y197 WeakPolarHBondContact O-CE2 3.42Å; R128-Y197 VanDerWaalsContact O-CZ 3.29Å; R128-W208 HydrophobicContact CG-CD2 4.29Å; R128-W208 HydrophobicContact CG-CE3 4.18Å; R128-W208 HydrophobicContact CG-CZ3 4.3Å; R128-W208 VanDerWaalsContact CZ-CH2 3.44Å
129R91.8Very high92.7Very high126 Ų12650 Ų5048%0.47525%0.247SC..THydrogen-bonded Turntrans-101.85.1-179.7-62.9177.9-69172.93.8112.8K125 D126 V127 C131 P132K125-R129 PolarHBondContact O-NE 3.28Å; D126-R129 PolarHBondContact O-N 3.39Å; D126-R129 VanDerWaalsContact O-N 3.11Å; D126-R129 IonicContact OD1-CZ 2.72Å; D126-R129 IonicContact OD1-NH2 3.67Å; D126-R129 PolarHBondContact OD1-NH2 3.49Å; V127-R129 PolarHBondContact O-N 3.44Å; R129-C131 PolarHBondContact O-N 3.44Å; R129-P132 WeakPolarHBondContact O-CD 3.49Å
130L93.4Very high92.8Very high3 Ų350.4 Ų50.42%0.01625%0.253CS..SBendtrans-67.1125.3-176.6179.761.4000111.4D126 V127 F137 V211 N232D126-L130 PolarHBondContact O-N 2.94Å; V127-L130 VanDerWaalsContact O-CB 3.24Å; V127-L130 WeakPolarHBondContact O-CB 3.43Å; V127-L130 PolarHBondContact O-N 3.21Å; L130-F137 HydrophobicContact CD2-CD1 3.82Å; L130-F137 HydrophobicContact CD2-CD2 4.41Å; L130-F137 HydrophobicContact CD2-CE1 3.55Å; L130-F137 HydrophobicContact CD2-CE2 4.18Å; L130-F137 HydrophobicContact CD2-CG 4.24Å; L130-F137 HydrophobicContact CD2-CZ 3.76Å; L130-F137 HydrophobicContact CG-CD1 4.43Å; L130-F137 HydrophobicContact CG-CD2 4.16Å; L130-F137 HydrophobicContact CG-CE1 4.27Å; L130-F137 HydrophobicContact CG-CE2 4.01Å; L130-F137 HydrophobicContact CG-CG 4.38Å; L130-F137 HydrophobicContact CG-CZ 4.07Å; L130-V211 HydrophobicContact CD2-CG1 4.08Å; L130-V211 HydrophobicContact CD2-CG2 4.36Å; L130-N232 VanDerWaalsContact CD1-O 3.26Å; L130-N232 WeakPolarHBondContact CD1-O 3.48Å
131C90.6Very high92.8Very high22 Ų2251 Ų5115%0.14926%0.257CS..SBendtrans43.766.2-179.7-55.90000113R129 D133 I134 F137R129-C131 PolarHBondContact O-N 3.44Å; C131-D133 PolarHBondContact O-N 3.07Å; C131-D133 VanDerWaalsContact O-N 3.07Å; C131-I134 HydrophobicContact CB-CD1 4.14Å; C131-I134 HydrophobicContact CB-CG1 3.89Å; C131-I134 WeakPolarHBondContact O-CG1 2.79Å; C131-I134 PolarHBondContact O-N 3.31Å; C131-I134 VanDerWaalsContact O-N 3.12Å; C131-F137 HydrophobicContact CB-CD2 3.89Å; C131-F137 HydrophobicContact CB-CE2 3.62Å
132P89Confident92.9Very high95 Ų9555.6 Ų55.662%0.61728%0.282SS*.THydrogen-bonded Turntrans-63.7-20.2-170.728.1-35.2000113.6R129 I134R129-P132 WeakPolarHBondContact O-CD 3.49Å; P132-I134 PolarHBondContact O-N 3.34Å
133D87.9Confident93Very high129 Ų12955.4 Ų55.469%0.6928%0.278SS*.THydrogen-bonded Turntrans-72.4-11.1179.1-54.5-65000113.8C131 L330C131-D133 PolarHBondContact O-N 3.07Å; C131-D133 VanDerWaalsContact O-N 3.07Å; D133-L330 HydrophobicContact CB-CD2 4.31Å
134I92Very high92.7Very high50 Ų5057 Ų5726%0.25629%0.289SS..  trans-122.1136.4177.667.1174.4000111.8C131 P132 F136 F137 Y240 L331C131-I134 HydrophobicContact CB-CD1 4.14Å; C131-I134 HydrophobicContact CB-CG1 3.89Å; C131-I134 WeakPolarHBondContact O-CG1 2.79Å; C131-I134 PolarHBondContact O-N 3.31Å; C131-I134 VanDerWaalsContact O-N 3.12Å; P132-I134 PolarHBondContact O-N 3.34Å; I134-F136 HydrophobicContact CD1-CB 3.91Å; I134-F136 HydrophobicContact CG1-CB 4.21Å; I134-F136 PolarHBondContact O-N 3.36Å; I134-F137 HydrophobicContact CD1-CD2 4.11Å; I134-F137 HydrophobicContact CD1-CE2 3.85Å; I134-F137 HydrophobicContact CG1-CD2 4.16Å; I134-F137 HydrophobicContact CG1-CE2 4.34Å; I134-Y240 HydrophobicContact CD1-CD2 4.19Å; I134-Y240 HydrophobicContact CD1-CE2 4.19Å; I134-L331 HydrophobicContact CD1-CD2 3.35Å
135S92.5Very high92.4Very high83 Ų8357.2 Ų57.258%0.5829%0.291SS*.G310 helixtrans-75.1-6.7177620000113.8F137 Q138 R139S135-F137 PolarHBondContact O-N 2.84Å; S135-Q138 PolarHBondContact O-N 3.15Å; S135-Q138 VanDerWaalsContact O-N 3.13Å; S135-R139 WeakPolarHBondContact O-CG 2.91Å; S135-R139 PolarHBondContact O-N 3.45Å
136F95.5Very high91.9Very high23 Ų2357.8 Ų57.810%0.10130%0.299CS..G310 helixtrans-51.6-51.5-174.2175.7-96.3000112.2I134 Q138 R139 H207 Y239 Y240 A243 T244I134-F136 HydrophobicContact CD1-CB 3.91Å; I134-F136 HydrophobicContact CG1-CB 4.21Å; I134-F136 PolarHBondContact O-N 3.36Å; F136-Q138 PolarHBondContact O-N 3.47Å; F136-R139 PolarHBondContact O-N 3.31Å; F136-R139 VanDerWaalsContact O-N 3.12Å; F136-H207 HydrophobicContact CD1-CB 4.36Å; F136-H207 HydrophobicContact CE1-CB 4.01Å; F136-H207 AromaticContact CE1-CG 3.76Å; F136-H207 AromaticContact CE1-ND1 3.9Å; F136-H207 AromaticContact CE2-CD2 3.86Å; F136-H207 AromaticContact CE2-CE1 3.84Å; F136-H207 AromaticContact CE2-NE2 3.57Å; F136-H207 HydrophobicContact CZ-CB 4.45Å; F136-H207 AromaticContact CZ-CD2 3.78Å; F136-H207 AromaticContact CZ-CE1 3.5Å; F136-H207 VanDerWaalsContact CZ-CE1 3.5Å; F136-H207 WeakPolarHBondContact CZ-CE1 3.33Å; F136-H207 AromaticContact CZ-CG 3.7Å; F136-H207 AromaticContact CZ-ND1 3.53Å; F136-H207 AromaticContact CZ-NE2 3.65Å; F136-H207 PolarHBondContact O-CD2 3.41Å; F136-H207 VanDerWaalsContact O-CD2 3.22Å; F136-Y239 HydrophobicContact CE1-CD1 4.11Å; F136-Y239 AromaticContact CE1-CE1 3.98Å; F136-Y239 HydrophobicContact CE1-CE1 3.98Å; F136-Y239 HydrophobicContact CZ-CE1 4.3Å; F136-Y240 HydrophobicContact CB-CD2 4.29Å; F136-Y240 HydrophobicContact CB-CE2 4.2Å; F136-Y240 AromaticContact CD1-CD2 3.6Å; F136-Y240 HydrophobicContact CD1-CD2 3.6Å; F136-Y240 HydrophobicContact CD1-CE2 4.29Å; F136-Y240 HydrophobicContact CD2-CD2 4.08Å; F136-Y240 HydrophobicContact CD2-CE2 4.05Å; F136-Y240 AromaticContact CE1-CD2 3.89Å; F136-Y240 HydrophobicContact CE1-CD2 3.89Å; F136-Y240 HydrophobicContact CE2-CD2 4.35Å; F136-Y240 AromaticContact CG-CD2 3.7Å; F136-Y240 HydrophobicContact CG-CD2 3.7Å; F136-Y240 AromaticContact CG-CE2 3.9Å; F136-Y240 HydrophobicContact CG-CE2 3.9Å; F136-Y240 HydrophobicContact CZ-CD2 4.26Å; F136-A243 HydrophobicContact CZ-CB 3.81Å; F136-T244 HydrophobicContact CD2-CG2 4.21Å; F136-T244 HydrophobicContact CE2-CG2 3.65Å; F136-T244 HydrophobicContact CZ-CG2 4.17Å
137F95Very high90.9Very high1 Ų160.9 Ų60.90%0.00432%0.315CS..G310 helixtrans-66-26-175-69-74.1000113.4L130 C131 I134 S135 H207 W208 V211 Y239L130-F137 HydrophobicContact CD2-CD1 3.82Å; L130-F137 HydrophobicContact CD2-CD2 4.41Å; L130-F137 HydrophobicContact CD2-CE1 3.55Å; L130-F137 HydrophobicContact CD2-CE2 4.18Å; L130-F137 HydrophobicContact CD2-CG 4.24Å; L130-F137 HydrophobicContact CD2-CZ 3.76Å; L130-F137 HydrophobicContact CG-CD1 4.43Å; L130-F137 HydrophobicContact CG-CD2 4.16Å; L130-F137 HydrophobicContact CG-CE1 4.27Å; L130-F137 HydrophobicContact CG-CE2 4.01Å; L130-F137 HydrophobicContact CG-CG 4.38Å; L130-F137 HydrophobicContact CG-CZ 4.07Å; C131-F137 HydrophobicContact CB-CD2 3.89Å; C131-F137 HydrophobicContact CB-CE2 3.62Å; I134-F137 HydrophobicContact CD1-CD2 4.11Å; I134-F137 HydrophobicContact CD1-CE2 3.85Å; I134-F137 HydrophobicContact CG1-CD2 4.16Å; I134-F137 HydrophobicContact CG1-CE2 4.34Å; S135-F137 PolarHBondContact O-N 2.84Å; F137-H207 HydrophobicContact CD1-CB 4.39Å; F137-H207 PolarHBondContact O-N 3.19Å; F137-W208 HydrophobicContact CB-CB 4.34Å; F137-W208 PolarHBondContact O-N 2.81Å; F137-V211 HydrophobicContact CD1-CG2 4.28Å; F137-V211 HydrophobicContact CE1-CG2 4.06Å; F137-Y239 HydrophobicContact CE1-CD1 4.03Å
138Q92.2Very high89.9Confident48 Ų4861.5 Ų61.522%0.22432%0.318CS..G310 helixtrans-86-14178.5-60.3-58.4-26.800113.6R128 S135 F136 Y197 W208R128-Q138 PolarHBondContact O-NE2 3.19Å; R128-Q138 VanDerWaalsContact O-NE2 3.1Å; S135-Q138 PolarHBondContact O-N 3.15Å; S135-Q138 VanDerWaalsContact O-N 3.13Å; F136-Q138 PolarHBondContact O-N 3.47Å; Q138-Y197 HydrophobicContact CG-CD1 3.86Å; Q138-Y197 HydrophobicContact CG-CE1 3.98Å; Q138-Y197 VanDerWaalsContact NE2-CE1 3.29Å; Q138-Y197 VanDerWaalsContact OE1-CD1 3.25Å; Q138-W208 VanDerWaalsContact OE1-CD1 3.3Å
139R93.4Very high88.9Confident155 Ų15561.4 Ų61.459%0.58532%0.32SS*.SBendtrans-78.2154.2178.7-73.6168.754.6172.4-2.6111.2S135 F136 A206 H207S135-R139 WeakPolarHBondContact O-CG 2.91Å; S135-R139 PolarHBondContact O-N 3.45Å; F136-R139 PolarHBondContact O-N 3.31Å; F136-R139 VanDerWaalsContact O-N 3.12Å; R139-A206 WeakPolarHBondContact O-CA 3.21Å; R139-H207 PolarHBondContact O-CD2 3.06Å; R139-H207 PolarHBondContact O-N 3.17Å
140A94Very high87.7Confident42 Ų4258.9 Ų58.935%0.34732%0.316SS..BIsolated β-bridgetrans-61.3134.8170.300000110.5L200 E205A140-L200 HydrophobicContact CB-CD1 3.84Å; A140-E205 CarbonylContact C-O 3.54Å; A140-E205 VanDerWaalsContact CA-O 3.25Å; A140-E205 WeakPolarHBondContact CA-O 3.39Å
141T94.4Very high86.1Confident14 Ų1465 Ų659%0.08636%0.356CS..PPolyproline II helixtrans-71.7144.2167.6177.60000110.2Y143 P144 E205 V210T141-Y143 PolarHBondContact O-N 3.45Å; T141-Y143 PolarHBondContact OG1-N 3.28Å; T141-Y143 VanDerWaalsContact OG1-N 3.13Å; T141-P144 HydrophobicContact CG2-CB 4.44Å; T141-E205 HydrophobicContact CG2-CB 4.05Å; T141-E205 HydrophobicContact CG2-CG 4.37Å; T141-E205 WeakPolarHBondContact CG2-O 3.21Å; T141-E205 PolarHBondContact N-O 3.34Å; T141-V210 HydrophobicContact CG2-CG2 4.06Å
142D93.5Very high84.7Confident128 Ų12872 Ų7268%0.68439%0.386SS*.SBendtrans-68.8-19171.5-65-34.5000111.9P144D142-P144 VanDerWaalsContact C-CD 3.43Å; D142-P144 WeakPolarHBondContact O-CD 3.13Å
143Y94Very high83.3Confident71 Ų7169.3 Ų69.328%0.27837%0.367SS..SBendtrans-123.971.5-177.3-58.4-82000110.8T141 S248 K251 E252T141-Y143 PolarHBondContact O-N 3.45Å; T141-Y143 PolarHBondContact OG1-N 3.28Å; T141-Y143 VanDerWaalsContact OG1-N 3.13Å; Y143-S248 WeakPolarHBondContact OH-CB 3.39Å; Y143-S248 PolarHBondContact OH-O 2.87Å; Y143-K251 HydrophobicContact CD2-CB 4.15Å; Y143-K251 HydrophobicContact CE2-CB 3.54Å; Y143-E252 HydrophobicContact CD1-CB 3.69Å; Y143-E252 HydrophobicContact CD1-CG 3.7Å; Y143-E252 HydrophobicContact CE1-CB 3.6Å; Y143-E252 HydrophobicContact CE1-CG 3.93Å; Y143-E252 HydrophobicContact CG-CB 4.21Å; Y143-E252 HydrophobicContact CG-CG 4.42Å
144P90.4Very high81.8Confident34 Ų3466.6 Ų66.622%0.22135%0.35CS..  trans-62.1144.1172.722.8-30.5000111.2T141 D142 L146 L149 E205T141-P144 HydrophobicContact CG2-CB 4.44Å; D142-P144 VanDerWaalsContact C-CD 3.43Å; D142-P144 WeakPolarHBondContact O-CD 3.13Å; P144-L146 HydrophobicContact CG-CD2 4.47Å; P144-L146 PolarHBondContact O-N 3.37Å; P144-L149 HydrophobicContact CB-CD1 3.35Å; P144-E205 HydrophobicContact CB-CB 4.15Å
145C87.9Confident80.2Confident14 Ų1467.4 Ų67.410%0.09535%0.352CS..  trans-69.295.9175.4-173.70000111.1L147 I148 L149 E205C145-L147 PolarHBondContact O-N 2.8Å; C145-I148 HydrophobicContact CB-CB 4.37Å; C145-I148 HydrophobicContact CB-CD1 4.05Å; C145-I148 HydrophobicContact CB-CG1 4.37Å; C145-I148 PolarHBondContact O-N 3.18Å; C145-L149 PolarHBondContact O-N 2.73Å; C145-E205 PolarHBondContact N-OE2 3.33Å
146L80.8Confident78.8Confident134 Ų13464.4 Ų64.470%0.70233%0.329SS*.Hα-helixtrans-60.3-31.6-177.6-61.3-179.9000112.7P144 I148 L149 D150P144-L146 HydrophobicContact CG-CD2 4.47Å; P144-L146 PolarHBondContact O-N 3.37Å; L146-I148 PolarHBondContact O-N 3.33Å; L146-I148 VanDerWaalsContact O-N 3.15Å; L146-L149 PolarHBondContact O-N 3.2Å; L146-D150 WeakPolarHBondContact O-CB 3.36Å; L146-D150 PolarHBondContact O-N 3.36Å; L146-D150 VanDerWaalsContact O-N 3.11Å
147L75Confident77.6Confident72 Ų7264.3 Ų64.338%0.37733%0.33SS..Hα-helixtrans-61.1-20.4174.9-69.4175.2000113.1I79 C145 N153I79-L147 HydrophobicContact CD1-CB 4.05Å; I79-L147 WeakPolarHBondContact CD1-O 3.29Å; C145-L147 PolarHBondContact O-N 2.8Å; L147-N153 PolarHBondContact O-ND2 2.76Å
148I73.4Confident77Confident13 Ų1364.7 Ų64.77%0.06733%0.332CS..Hα-helixtrans-105.9-38.1-178.9-63.8171.8000110.2L74 I78 I79 C145 L146 T157L74-I148 HydrophobicContact CD2-CD1 4.33Å; I78-I148 HydrophobicContact CG2-CD1 3.83Å; I78-I148 HydrophobicContact CG2-CG1 4.32Å; I79-I148 HydrophobicContact CG1-CG1 4.45Å; C145-I148 HydrophobicContact CB-CB 4.37Å; C145-I148 HydrophobicContact CB-CD1 4.05Å; C145-I148 HydrophobicContact CB-CG1 4.37Å; C145-I148 PolarHBondContact O-N 3.18Å; L146-I148 PolarHBondContact O-N 3.33Å; L146-I148 VanDerWaalsContact O-N 3.15Å; I148-T157 HydrophobicContact CG2-CG2 3.6Å
149L71.4Confident76.3Confident33 Ų3363.6 Ų63.617%0.17333%0.326CS..Hα-helixtrans-91.2-2.5-172.6-64.8-178.1000115.7P144 C145 L146 P151 E205P144-L149 HydrophobicContact CB-CD1 3.35Å; C145-L149 PolarHBondContact O-N 2.73Å; L146-L149 PolarHBondContact O-N 3.2Å; L149-P151 WeakPolarHBondContact O-CD 3.27Å; L149-E205 HydrophobicContact CD1-CB 3.69Å
150D65.6Low75.4Confident73 Ų7361.2 Ų61.239%0.3932%0.32SS..  trans-55124.7178.9176.4-2.1000110.8L146 Q152 N153L146-D150 WeakPolarHBondContact O-CB 3.36Å; L146-D150 PolarHBondContact O-N 3.36Å; L146-D150 VanDerWaalsContact O-N 3.11Å; D150-Q152 PolarHBondContact O-N 3.39Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.38Å; D150-Q152 PolarHBondContact OD1-N 3.38Å; D150-N153 HydrophobicContact CB-CB 3.85Å; D150-N153 WeakPolarHBondContact O-CB 3.07Å; D150-N153 PolarHBondContact O-N 2.89Å
151P59.6Low74.9Confident131 Ų13159.7 Ų59.785%0.85131%0.305SS*.THydrogen-bonded Turntrans-61.2-25178.4-23.433.1000114.3L149L149-P151 WeakPolarHBondContact O-CD 3.27Å
152Q60.8Low74.2Confident168 Ų16859.2 Ų59.279%0.78530%0.302SS*.THydrogen-bonded Turntrans-82.9-6.2175.2-58.6-17512.400112.1D150 E154D150-Q152 PolarHBondContact O-N 3.39Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.38Å; D150-Q152 PolarHBondContact OD1-N 3.38Å; Q152-E154 PolarHBondContact O-N 3.04Å
153N61.2Low73.4Confident40 Ų4057.4 Ų57.421%0.21429%0.29CS..  trans-74.7117.1-171-143.319.3000110.8L147 D150 F155L147-N153 PolarHBondContact O-ND2 2.76Å; D150-N153 HydrophobicContact CB-CB 3.85Å; D150-N153 WeakPolarHBondContact O-CB 3.07Å; D150-N153 PolarHBondContact O-N 2.89Å; N153-F155 HydrophobicContact CB-CD2 4.48Å; N153-F155 VanDerWaalsContact CG-CD2 3.43Å; N153-F155 PolarHBondContact O-N 3.14Å; N153-F155 WeakPolarHBondContact OD1-CD2 3.48Å; N153-F155 WeakPolarHBondContact OD1-CE2 3.35Å
154E55Low72.4Confident72 Ų7258.6 Ų58.634%0.33630%0.298SS..  trans-77.433.1176.7-71.5-172.8-171.200112.7A84 K85 M88 Q152A84-E154 HydrophobicContact CB-CB 3.81Å; A84-E154 WeakPolarHBondContact CB-O 3.49Å; K85-E154 WeakPolarHBondContact CG-OE2 3.41Å; M88-E154 HydrophobicContact CE-CG 3.94Å; M88-E154 WeakPolarHBondContact CE-OE1 3.46Å; Q152-E154 PolarHBondContact O-N 3.04Å
155F58.9Low71.5Confident66 Ų6659.7 Ų59.729%0.28930%0.304SS..SBendtrans-123.5146.4-176.6-51.6-67.8000112.3I79 P81 N153I79-F155 HydrophobicContact CB-CG 4.49Å; I79-F155 HydrophobicContact CG2-CB 3.74Å; I79-F155 HydrophobicContact CG2-CD1 3.53Å; I79-F155 HydrophobicContact CG2-CD2 3.22Å; I79-F155 HydrophobicContact CG2-CE1 3.88Å; I79-F155 HydrophobicContact CG2-CE2 3.64Å; I79-F155 HydrophobicContact CG2-CG 3.2Å; I79-F155 HydrophobicContact CG2-CZ 3.95Å; P81-F155 HydrophobicContact CB-CE1 4.42Å; N153-F155 HydrophobicContact CB-CD2 4.48Å; N153-F155 VanDerWaalsContact CG-CD2 3.43Å; N153-F155 PolarHBondContact O-N 3.14Å; N153-F155 WeakPolarHBondContact OD1-CD2 3.48Å; N153-F155 WeakPolarHBondContact OD1-CE2 3.35Å
156E63.3Low70.4Confident20 Ų2061.5 Ų61.59%0.09331%0.314CS..  trans-78.1127.6175.8-174.2167.2-107.800109.7I83 Y113 K160 R161 Q164I83-E156 HydrophobicContact CB-CB 4.36Å; I83-E156 HydrophobicContact CD1-CB 4.32Å; I83-E156 WeakPolarHBondContact CD1-OE2 3.39Å; I83-E156 HydrophobicContact CG2-CB 4.31Å; Y113-E156 PolarHBondContact OH-OE2 3.3Å; E156-K160 HydrophobicContact CG-CB 3.78Å; E156-R161 HydrophobicContact CG-CB 4.3Å; E156-Q164 PolarHBondContact OE1-NE2 3.36Å; E156-Q164 PolarHBondContact OE1-OE1 2.66Å; E156-Q164 VanDerWaalsContact OE1-OE1 3.11Å
157T70.5Confident69.5Low22 Ų2261.6 Ų61.614%0.13532%0.315CS..  trans-81.3157.3174.965.70000110.1I148 R159 K160 R161I148-T157 HydrophobicContact CG2-CG2 3.6Å; T157-R159 PolarHBondContact O-N 2.97Å; T157-K160 PolarHBondContact O-N 2.79Å; T157-K160 PolarHBondContact OG1-N 3.04Å; T157-R161 PolarHBondContact O-N 2.9Å
158L81.3Confident68.5Low8 Ų866.2 Ų66.24%0.04233%0.332CS..Hα-helixtrans-53.8-41173.7-66.9-176.1000111.5I78 L120 K160 R161 V162 E212 R213 F216I78-L158 HydrophobicContact CD1-CD1 4.06Å; I78-L158 HydrophobicContact CD1-CD2 4.09Å; I78-L158 HydrophobicContact CD1-CG 4.3Å; I78-L158 HydrophobicContact CG2-CD2 4.32Å; I78-L158 HydrophobicContact CG2-CG 4.11Å; L120-L158 HydrophobicContact CD1-CB 4.28Å; L120-L158 HydrophobicContact CD1-CD1 4.08Å; L120-L158 HydrophobicContact CD1-CD2 4.05Å; L120-L158 HydrophobicContact CD1-CG 4.36Å; L120-L158 HydrophobicContact CD2-CB 4.33Å; L120-L158 HydrophobicContact CD2-CD2 3.84Å; L158-K160 PolarHBondContact O-N 3.18Å; L158-R161 WeakPolarHBondContact O-CB 3.28Å; L158-R161 PolarHBondContact O-N 2.93Å; L158-R161 VanDerWaalsContact O-N 3.13Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.31Å; L158-E212 WeakPolarHBondContact CB-OE2 3.4Å; L158-E212 HydrophobicContact CD1-CG 4.28Å; L158-R213 HydrophobicContact CD1-CB 4.08Å; L158-R213 HydrophobicContact CD1-CG 4.38Å; L158-F216 HydrophobicContact CD1-CB 4.33Å; L158-F216 HydrophobicContact CD1-CD1 4.46Å; L158-F216 HydrophobicContact CD1-CG 4.48Å; L158-F216 HydrophobicContact CD2-CD1 4.08Å; L158-F216 HydrophobicContact CD2-CE1 4.16Å; L158-F216 HydrophobicContact CD2-CG 4.47Å
159R77.8Confident67.8Low26 Ų2671.2 Ų71.210%0.09837%0.368CS..Hα-helixtrans-50.6-55171.8-175-168.9-68-174.2-0.3112.6T157 R161 V162 E163 L200 C204 E209T157-R159 PolarHBondContact O-N 2.97Å; R159-R161 VanDerWaalsContact C-N 3.27Å; R159-R161 PolarHBondContact O-N 3.36Å; R159-V162 PolarHBondContact O-N 2.72Å; R159-E163 WeakPolarHBondContact O-CG 3.39Å; R159-E163 PolarHBondContact O-N 3.18Å; R159-L200 PolarHBondContact NH1-O 3.31Å; R159-C204 PolarHBondContact NH2-O 3.18Å; R159-E209 IonicContact CZ-OE1 3.54Å; R159-E209 IonicContact CZ-OE2 3.74Å; R159-E209 IonicContact NE-OE1 2.88Å; R159-E209 PolarHBondContact NE-OE1 3.33Å; R159-E209 IonicContact NH2-OE1 2.75Å; R159-E209 PolarHBondContact NH2-OE1 3.19Å; R159-E209 IonicContact NH2-OE2 2.79Å; R159-E209 PolarHBondContact NH2-OE2 3.13Å
160K75.6Confident67.3Low105 Ų10574.4 Ų74.446%0.45738%0.382SS..Hα-helixtrans-61.8-37.5179.5-75.8179.5-178.4172.20111.8E156 T157 L158 E163 Q164E156-K160 HydrophobicContact CG-CB 3.78Å; T157-K160 PolarHBondContact O-N 2.79Å; T157-K160 PolarHBondContact OG1-N 3.04Å; L158-K160 PolarHBondContact O-N 3.18Å; K160-E163 PolarHBondContact O-N 3.27Å; K160-Q164 WeakPolarHBondContact O-CG 3.36Å; K160-Q164 PolarHBondContact O-N 3.46Å
161R81.9Confident67.3Low10 Ų1076 Ų764%0.03839%0.394CS..Hα-helixtrans-64.2-42178.8-161.1174.1172.6-159.2-7.9111.9Y113 N117 L120 E156 T157 L158 R159 T165 F216Y113-R161 VanDerWaalsContact CD2-NH2 3.29Å; Y113-R161 HydrophobicContact CE2-CG 4.49Å; Y113-R161 PolarHBondContact O-NH2 2.94Å; N117-R161 PolarHBondContact OD1-NE 2.96Å; N117-R161 PolarHBondContact OD1-NH2 3.28Å; L120-R161 HydrophobicContact CD2-CB 4.13Å; L120-R161 HydrophobicContact CD2-CG 4.19Å; E156-R161 HydrophobicContact CG-CB 4.3Å; T157-R161 PolarHBondContact O-N 2.9Å; L158-R161 WeakPolarHBondContact O-CB 3.28Å; L158-R161 PolarHBondContact O-N 2.93Å; L158-R161 VanDerWaalsContact O-N 3.13Å; R159-R161 VanDerWaalsContact C-N 3.27Å; R159-R161 PolarHBondContact O-N 3.36Å; R161-T165 PolarHBondContact O-N 3.35Å; R161-T165 PolarHBondContact O-OG1 2.97Å; R161-F216 VanDerWaalsContact NH1-CZ 3.32Å
162V80.6Confident67.6Low3 Ų373.6 Ų73.62%0.01838%0.377CS..Hα-helixtrans-64.5-47.5173.2170.40000111.2L120 L121 D124 L158 R159 Q164 T165 T166L120-V162 HydrophobicContact CD1-CG2 4.42Å; L120-V162 HydrophobicContact CD2-CG2 3.74Å; L120-V162 HydrophobicContact CG-CG2 3.67Å; L121-V162 HydrophobicContact CD2-CG1 3.99Å; D124-V162 HydrophobicContact CB-CG1 4.39Å; D124-V162 HydrophobicContact CB-CG2 4.16Å; L158-V162 WeakPolarHBondContact O-CG2 3.4Å; L158-V162 PolarHBondContact O-N 3.31Å; R159-V162 PolarHBondContact O-N 2.72Å; V162-Q164 VanDerWaalsContact C-N 3.34Å; V162-Q164 PolarHBondContact O-N 3.12Å; V162-T165 PolarHBondContact O-N 3.22Å; V162-T166 PolarHBondContact O-N 3.2Å; V162-T166 PolarHBondContact O-OG1 2.92Å
163E75.5Confident67.6Low91 Ų9168 Ų6843%0.42536%0.359SS..Hα-helixtrans-56.9-45.5178.8-75.1173.3-176.300112R159 K160 T165 T166R159-E163 WeakPolarHBondContact O-CG 3.39Å; R159-E163 PolarHBondContact O-N 3.18Å; K160-E163 PolarHBondContact O-N 3.27Å; E163-T165 VanDerWaalsContact C-N 3.34Å; E163-T165 PolarHBondContact O-N 2.86Å; E163-T166 PolarHBondContact O-N 3.33Å; E163-T166 PolarHBondContact O-OG1 3.22Å; E163-T166 VanDerWaalsContact O-OG1 3.1Å
164Q73Confident67.4Low96 Ų9675.6 Ų75.645%0.44939%0.385SS..Hα-helixtrans-66.4-35.1179.5-72.5177.521.800113.1E156 K160 V162 T166 L167E156-Q164 PolarHBondContact OE1-NE2 3.36Å; E156-Q164 PolarHBondContact OE1-OE1 2.66Å; E156-Q164 VanDerWaalsContact OE1-OE1 3.11Å; K160-Q164 WeakPolarHBondContact O-CG 3.36Å; K160-Q164 PolarHBondContact O-N 3.46Å; V162-Q164 VanDerWaalsContact C-N 3.34Å; V162-Q164 PolarHBondContact O-N 3.12Å; Q164-T166 VanDerWaalsContact C-N 3.29Å; Q164-T166 PolarHBondContact O-N 2.86Å; Q164-L167 WeakPolarHBondContact O-CG 3.39Å
165T71.5Confident67.8Low57 Ų5775.3 Ų75.335%0.3539%0.386SS..Hα-helixtrans-73.3-24.5-178.9-48.50000111.9N117 L121 R161 V162 E163N117-T165 HydrophobicContact CB-CG2 4.23Å; N117-T165 PolarHBondContact ND2-OG1 3.41Å; L121-T165 HydrophobicContact CD1-CG2 3.5Å; L121-T165 HydrophobicContact CG-CG2 4.34Å; R161-T165 PolarHBondContact O-N 3.35Å; R161-T165 PolarHBondContact O-OG1 2.97Å; V162-T165 PolarHBondContact O-N 3.22Å; E163-T165 VanDerWaalsContact C-N 3.34Å; E163-T165 PolarHBondContact O-N 2.86Å
166T65.9Low68.1Low51 Ų5184.8 Ų84.831%0.31342%0.42SS..THydrogen-bonded Turntrans-91.53.8-179.7580000114.6L121 V162 E163 Q164 K168L121-T166 HydrophobicContact CD2-CG2 3.64Å; V162-T166 PolarHBondContact O-N 3.2Å; V162-T166 PolarHBondContact O-OG1 2.92Å; E163-T166 PolarHBondContact O-N 3.33Å; E163-T166 PolarHBondContact O-OG1 3.22Å; E163-T166 VanDerWaalsContact O-OG1 3.1Å; Q164-T166 VanDerWaalsContact C-N 3.29Å; Q164-T166 PolarHBondContact O-N 2.86Å; T166-K168 PolarHBondContact O-N 3.16Å; T166-K168 VanDerWaalsContact O-N 3.14Å
167L62.7Low68.4Low136 Ų13689 Ų8971%0.71245%0.451SS*.PPolyproline II helixtrans-59.9117.8-179.2-70173.2000111.5Q164Q164-L167 WeakPolarHBondContact O-CG 3.39Å
168K52.5Low68.1Low170 Ų17090.2 Ų90.274%0.73947%0.469SS*.PPolyproline II helixtrans-73.2134.8178-66.4-172.7179-177.80110.4T166 Q170T166-K168 PolarHBondContact O-N 3.16Å; T166-K168 VanDerWaalsContact O-N 3.14Å; K168-Q170 PolarHBondContact O-N 3.2Å
169S60.3Low67.4Low117 Ų11793.4 Ų93.482%0.81849%0.489SS*.PPolyproline II helixtrans-60.3134.8169.259.30000110.1
170Q60.2Low66.6Low100 Ų10096.1 Ų96.147%0.46751%0.508SS..  trans-109.9135.8171.6-81-173.8-3.100109.7K168 M182K168-Q170 PolarHBondContact O-N 3.2Å; Q170-M182 HydrophobicContact CB-CE 4.36Å
171T65.3Low65.9Low106 Ų10695.4 Ų95.465%0.6551%0.509SS*.EExtended strand (participates in β ladder)trans-87.8119.3177.8-50.60000109.4S183T171-S183 WeakPolarHBondContact O-CB 3.43Å; T171-S183 PolarHBondContact O-N 3.4Å; T171-S183 PolarHBondContact O-OG 3.34Å
172V65.1Low64.7Low81 Ų81100.5 Ų100.549%0.49154%0.535SS..EExtended strand (participates in β ladder)trans-80.6121.6172.5-1220000109.4M182V172-M182 HydrophobicContact CG1-CG 4.34Å; V172-M182 HydrophobicContact CG1-SD 3.74Å
173A61.6Low63.6Low50 Ų50102.5 Ų102.541%0.41355%0.549SS..EExtended strand (participates in β ladder)trans-90123.5169.600000109N181 S183A173-N181 PolarHBondContact N-O 2.86Å; A173-N181 PolarHBondContact O-N 3.17Å; A173-S183 WeakPolarHBondContact CB-OG 3.48Å; A173-S183 PolarHBondContact N-OG 2.97Å
174R56.9Low62.4Low200 Ų200102.2 Ų102.276%0.75556%0.557SS**EExtended strand (participates in β ladder)trans-96.1116.7175.6-142175.6-170179.23.4108.5T180R174-T180 HydrophobicContact CG-CG2 3.99Å
175N63.2Low61.1Low66 Ų66102.5 Ų102.535%0.35357%0.567SS.*PPolyproline II helixtrans-83.7160.3171.258.526.9000110.1S177 G178 V179N175-S177 PolarHBondContact O-N 3.38Å; N175-G178 PolarHBondContact O-N 2.75Å; N175-V179 PolarHBondContact N-O 3.05Å; N175-V179 WeakPolarHBondContact OD1-CA 3.43Å; N175-V179 VanDerWaalsContact OD1-CB 3.29Å; N175-V179 WeakPolarHBondContact OD1-CB 3.49Å; N175-V179 PolarHBondContact OD1-N 3.23Å; N175-V179 VanDerWaalsContact OD1-N 3.13Å; N175-V179 PolarHBondContact OD1-O 3.12Å
176R64.9Low59.8Low265 Ų265108.6 Ų108.6100%159%0.591SS**THydrogen-bonded Turntrans-61.2-10.3-174.9-75.4-174.3174.9-175-1114.3G178R176-G178 VanDerWaalsContact C-N 3.29Å
177S70Confident58.5Low108 Ų108116.1 Ų116.176%0.75562%0.62SS**THydrogen-bonded Turntrans-85.42.6174.4-55.10000113.4N175 V179N175-S177 PolarHBondContact O-N 3.38Å; S177-V179 PolarHBondContact O-N 2.77Å
178G63.5Low57.2Low49 Ų49116.2 Ų116.251%0.50562%0.621SS.*SBendtrans79.42.7-178.600000114.1N175 R176N175-G178 PolarHBondContact O-N 2.75Å; R176-G178 VanDerWaalsContact C-N 3.29Å
179V66.5Low56.4Low75 Ų75113.8 Ų113.846%0.45563%0.625SS.*  trans-80.4122.8176.1-172.70000108.7N175 S177 N181N175-V179 PolarHBondContact N-O 3.05Å; N175-V179 WeakPolarHBondContact OD1-CA 3.43Å; N175-V179 VanDerWaalsContact OD1-CB 3.29Å; N175-V179 WeakPolarHBondContact OD1-CB 3.49Å; N175-V179 PolarHBondContact OD1-N 3.23Å; N175-V179 VanDerWaalsContact OD1-N 3.13Å; N175-V179 PolarHBondContact OD1-O 3.12Å; S177-V179 PolarHBondContact O-N 2.77Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.44Å
180T61.4Low55.3Low83 Ų83113.7 Ų113.751%0.50962%0.62SS.*EExtended strand (participates in β ladder)trans-85.9108.1172.444.70000108.7R174R174-T180 HydrophobicContact CG-CG2 3.99Å
181N61.5Low54.2Low90 Ų90113.3 Ų113.348%0.48163%0.626SS.*EExtended strand (participates in β ladder)trans-99128.6171.6-75.1-8.6000108.9A173 V179 S183A173-N181 PolarHBondContact N-O 2.86Å; A173-N181 PolarHBondContact O-N 3.17Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.44Å; N181-S183 PolarHBondContact O-N 3.47Å; N181-S183 VanDerWaalsContact O-N 3.17Å
182M57.6Low53.1Low116 Ų116110.4 Ų110.457%0.57161%0.61SS**EExtended strand (participates in β ladder)trans-66.7112.3171.4-69-75.3-102.700108.1Q170 V172 S184Q170-M182 HydrophobicContact CB-CE 4.36Å; V172-M182 HydrophobicContact CG1-CG 4.34Å; V172-M182 HydrophobicContact CG1-SD 3.74Å; M182-S184 PolarHBondContact O-N 2.6Å; M182-S184 VanDerWaalsContact O-N 3.12Å
183S55.8Low52.1Low46 Ų46111.8 Ų111.832%0.32262%0.623SS.*EExtended strand (participates in β ladder)trans-78.199.8174.1-20.50000106.5T171 A173 N181 P185T171-S183 WeakPolarHBondContact O-CB 3.43Å; T171-S183 PolarHBondContact O-N 3.4Å; T171-S183 PolarHBondContact O-OG 3.34Å; A173-S183 WeakPolarHBondContact CB-OG 3.48Å; A173-S183 PolarHBondContact N-OG 2.97Å; N181-S183 PolarHBondContact O-N 3.47Å; N181-S183 VanDerWaalsContact O-N 3.17Å; S183-P185 WeakPolarHBondContact O-CD 3.34Å
184S50.1Low51.4Low85 Ų85113.5 Ų113.559%0.59463%0.625SS**  trans-63.3123.9166.2-27.30000106.2M182 H186M182-S184 PolarHBondContact O-N 2.6Å; M182-S184 VanDerWaalsContact O-N 3.12Å; S184-H186 PolarHBondContact O-N 3.27Å; S184-H186 VanDerWaalsContact O-N 3.08Å
185P47.7Very low50.9Low102 Ų102109.9 Ų109.966%0.66262%0.621SS**  trans-54.7126.816824.1-29.9000105.8S183 K187S183-P185 WeakPolarHBondContact O-CD 3.34Å; P185-K187 PolarHBondContact O-N 2.96Å; P185-K187 VanDerWaalsContact O-N 3.1Å
186H42.2Very low50.5Low184 Ų184113.6 Ų113.685%0.85264%0.636SS**  trans-40.5125.1-177.9-84.5-67.1000109.3S184 N188S184-H186 PolarHBondContact O-N 3.27Å; S184-H186 VanDerWaalsContact O-N 3.08Å; H186-N188 PolarHBondContact O-N 3.31Å
187K39Very low50.4Low209 Ų209104 Ų10491%0.90960%0.6SS**  trans-55.278.7169.3-80.7178.9169.9178.80108.8P185 S189P185-K187 PolarHBondContact O-N 2.96Å; P185-K187 VanDerWaalsContact O-N 3.1Å; K187-S189 PolarHBondContact O-N 2.95Å
188N36.2Very low50.1Low139 Ų139107.7 Ų107.774%0.74361%0.605SS**  trans-76.8109.6143-79.8-7.9000104.2H186 V190H186-N188 PolarHBondContact O-N 3.31Å; N188-V190 PolarHBondContact O-N 3.34Å
189S36.2Very low50.5Low118 Ų118108.7 Ų108.783%0.82560%0.602SS**  trans-60.167.5171.950.40000110.8K187K187-S189 PolarHBondContact O-N 2.95Å
190V36.1Very low51.3Low115 Ų115107.2 Ų107.270%0.69759%0.591SS**  trans-88.8115.8151-172.90000103N188 S192N188-V190 PolarHBondContact O-N 3.34Å; V190-S192 PolarHBondContact O-N 3.3Å
191P36.5Very low52.2Low93 Ų93107.6 Ų107.660%0.60460%0.595SS**  trans-54.2115.9166.9-2.613.9000104.2S193 N195P191-S193 PolarHBondContact O-N 3.47Å; P191-N195 HydrophobicContact CB-CB 3.88Å
192S42.9Very low52.8Low45 Ų45111.2 Ų111.232%0.31561%0.614SS.*  trans-49.7137.1169.151.70000106.1V190 L194 N195V190-S192 PolarHBondContact O-N 3.3Å; S192-L194 CarbonylContact O-C 3.55Å; S192-L194 PolarHBondContact O-N 3.01Å; S192-N195 WeakPolarHBondContact O-CB 3.28Å; S192-N195 PolarHBondContact O-N 3.2Å
193S44.6Very low53.8Low109 Ų109107.6 Ų107.676%0.76261%0.606SS**G310 helixtrans-47.6-8.8175.440.30000115.3P191 N195P191-S193 PolarHBondContact O-N 3.47Å; S193-N195 VanDerWaalsContact C-N 3.26Å; S193-N195 PolarHBondContact O-N 2.75Å
194L45.7Very low55.2Low87 Ų87107.7 Ų107.746%0.45561%0.607SS.*G310 helixtrans-65.9-16.2163.8-70.8152.9000115S192S192-L194 CarbonylContact O-C 3.55Å; S192-L194 PolarHBondContact O-N 3.01Å
195N47.2Very low57.1Low124 Ų124104 Ų10466%0.66358%0.58SS**G310 helixtrans-97.54.8-172.4-128.344.8000113.9P191 S192 S193 Y197P191-N195 HydrophobicContact CB-CB 3.88Å; S192-N195 WeakPolarHBondContact O-CB 3.28Å; S192-N195 PolarHBondContact O-N 3.2Å; S193-N195 VanDerWaalsContact C-N 3.26Å; S193-N195 PolarHBondContact O-N 2.75Å; N195-Y197 VanDerWaalsContact C-N 3.26Å; N195-Y197 PolarHBondContact O-N 2.92Å
196E55Low59.2Low144 Ų14499.2 Ų99.267%0.67355%0.549SS*.SBendtrans-75.4-15.9177.9-82.8-176.8161.200113
197Y61.9Low61.8Low63 Ų6391 Ų9125%0.24751%0.511CS..SBendtrans-140.3125.7-179.1-62.2-75.3000111.5R128 Q138 N195 V199R128-Y197 HydrophobicContact CB-CD2 4.1Å; R128-Y197 HydrophobicContact CB-CE2 4.28Å; R128-Y197 WeakPolarHBondContact O-CE2 3.42Å; R128-Y197 VanDerWaalsContact O-CZ 3.29Å; Q138-Y197 HydrophobicContact CG-CD1 3.86Å; Q138-Y197 HydrophobicContact CG-CE1 3.98Å; Q138-Y197 VanDerWaalsContact NE2-CE1 3.29Å; Q138-Y197 VanDerWaalsContact OE1-CD1 3.25Å; N195-Y197 VanDerWaalsContact C-N 3.26Å; N195-Y197 PolarHBondContact O-N 2.92Å; Y197-V199 PolarHBondContact O-N 3.44Å
198E65.5Low64.5Low185 Ų18581.3 Ų81.386%0.86447%0.469SS*.PPolyproline II helixtrans-72.5120.7-176-151.3172.5-158.700109.8L200E198-L200 PolarHBondContact O-N 3.31Å
199V71.7Confident67.2Low71 Ų7175.2 Ų75.243%0.4344%0.436SS..PPolyproline II helixtrans-68121.4177.1177.40000108.4Y197Y197-V199 PolarHBondContact O-N 3.44Å
200L83.2Confident70Confident43 Ų4369.6 Ų69.623%0.22540%0.397CS..PPolyproline II helixtrans-63.4150.1180-66.8177.8000111.4A140 R159 E198 C204 A206A140-L200 HydrophobicContact CB-CD1 3.84Å; R159-L200 PolarHBondContact NH1-O 3.31Å; E198-L200 PolarHBondContact O-N 3.31Å; L200-C204 HydrophobicContact CB-CB 3.91Å; L200-C204 HydrophobicContact CD1-CB 4.27Å; L200-A206 HydrophobicContact CD1-CB 3.75Å; L200-A206 HydrophobicContact CG-CB 4.48Å
201P80.5Confident72.9Confident92 Ų9264.1 Ų64.160%0.59736%0.364SS*.PPolyproline II helixtrans-54.2157.4177.6-24.633.7000113.4G203 C204P201-G203 PolarHBondContact O-N 2.95Å; P201-C204 WeakPolarHBondContact O-CB 3.34Å; P201-C204 PolarHBondContact O-N 3.45Å
202N73.3Confident75.8Confident165 Ų16559.9 Ų59.988%0.88234%0.336SS*.THydrogen-bonded Turntrans-54.7135.6175.9-69.2-15.3000111.3C204N202-C204 VanDerWaalsContact C-N 3.32Å
203G78.2Confident78.3Confident40 Ų4058 Ų5841%0.41232%0.321SS..THydrogen-bonded Turntrans90.3-9.8-175.300000114.2P201P201-G203 PolarHBondContact O-N 2.95Å
204C86Confident80.8Confident49 Ų4952.8 Ų52.833%0.33129%0.285SS..  trans-105.7146.1171.8-61.70000110.8R159 L200 P201 N202R159-C204 PolarHBondContact NH2-O 3.18Å; L200-C204 HydrophobicContact CB-CB 3.91Å; L200-C204 HydrophobicContact CD1-CB 4.27Å; P201-C204 WeakPolarHBondContact O-CB 3.34Å; P201-C204 PolarHBondContact O-N 3.45Å; N202-C204 VanDerWaalsContact C-N 3.32Å
205E89.6Confident83.3Confident7 Ų748.6 Ų48.63%0.03326%0.263CS..  trans-128.5134.9175.5-179.7167.3-104.800109A140 T141 P144 C145 L149 E209 V210 R213A140-E205 CarbonylContact C-O 3.54Å; A140-E205 VanDerWaalsContact CA-O 3.25Å; A140-E205 WeakPolarHBondContact CA-O 3.39Å; T141-E205 HydrophobicContact CG2-CB 4.05Å; T141-E205 HydrophobicContact CG2-CG 4.37Å; T141-E205 WeakPolarHBondContact CG2-O 3.21Å; T141-E205 PolarHBondContact N-O 3.34Å; P144-E205 HydrophobicContact CB-CB 4.15Å; C145-E205 PolarHBondContact N-OE2 3.33Å; L149-E205 HydrophobicContact CD1-CB 3.69Å; E205-E209 WeakPolarHBondContact CA-OE2 3.24Å; E205-E209 HydrophobicContact CG-CB 3.65Å; E205-V210 HydrophobicContact CG-CG2 4.17Å; E205-V210 WeakPolarHBondContact OE2-CG2 3.44Å; E205-R213 VanDerWaalsContact CD-NH1 3.29Å; E205-R213 IonicContact OE1-CZ 3.27Å; E205-R213 IonicContact OE1-NH1 2.75Å; E205-R213 PolarHBondContact OE1-NH1 3.49Å; E205-R213 IonicContact OE1-NH2 3.75Å; E205-R213 IonicContact OE2-CZ 2.75Å; E205-R213 IonicContact OE2-NH1 3.58Å; E205-R213 PolarHBondContact OE2-NH1 3.33Å; E205-R213 IonicContact OE2-NH2 3.81Å; E205-R213 PolarHBondContact OE2-NH2 2.93Å
206A92.8Very high85.6Confident1 Ų142.7 Ų42.71%0.00823%0.232CC..BIsolated β-bridgetrans-81.2151.8175.600000110.2R139 L200 W208 E209 V210R139-A206 WeakPolarHBondContact O-CA 3.21Å; L200-A206 HydrophobicContact CD1-CB 3.75Å; L200-A206 HydrophobicContact CG-CB 4.48Å; A206-W208 VanDerWaalsContact CB-CD1 3.46Å; A206-W208 HydrophobicContact CB-CD2 4.44Å; A206-W208 HydrophobicContact CB-CG 4.14Å; A206-W208 VanDerWaalsContact CB-NE1 3.3Å; A206-W208 PolarHBondContact O-N 3.22Å; A206-E209 HydrophobicContact CB-CG 4.32Å; A206-E209 PolarHBondContact N-OE2 3.21Å; A206-E209 WeakPolarHBondContact O-CB 3.25Å; A206-E209 PolarHBondContact O-N 3.36Å; A206-V210 PolarHBondContact O-N 3.05Å
207H95.9Very high87.6Confident13 Ų1335.9 Ų35.96%0.0620%0.2CC..Hα-helixtrans-56.5-33.2175.6-80.8-66.1000113.1F136 F137 R139 E209 V210 V211 Y239F136-H207 HydrophobicContact CD1-CB 4.36Å; F136-H207 HydrophobicContact CE1-CB 4.01Å; F136-H207 AromaticContact CE1-CG 3.76Å; F136-H207 AromaticContact CE1-ND1 3.9Å; F136-H207 AromaticContact CE2-CD2 3.86Å; F136-H207 AromaticContact CE2-CE1 3.84Å; F136-H207 AromaticContact CE2-NE2 3.57Å; F136-H207 HydrophobicContact CZ-CB 4.45Å; F136-H207 AromaticContact CZ-CD2 3.78Å; F136-H207 AromaticContact CZ-CE1 3.5Å; F136-H207 VanDerWaalsContact CZ-CE1 3.5Å; F136-H207 WeakPolarHBondContact CZ-CE1 3.33Å; F136-H207 AromaticContact CZ-CG 3.7Å; F136-H207 AromaticContact CZ-ND1 3.53Å; F136-H207 AromaticContact CZ-NE2 3.65Å; F136-H207 PolarHBondContact O-CD2 3.41Å; F136-H207 VanDerWaalsContact O-CD2 3.22Å; F137-H207 HydrophobicContact CD1-CB 4.39Å; F137-H207 PolarHBondContact O-N 3.19Å; R139-H207 PolarHBondContact O-CD2 3.06Å; R139-H207 PolarHBondContact O-N 3.17Å; H207-E209 VanDerWaalsContact C-N 3.31Å; H207-E209 PolarHBondContact O-N 3.18Å; H207-V210 WeakPolarHBondContact O-CB 3.49Å; H207-V210 PolarHBondContact O-N 3.25Å; H207-V211 WeakPolarHBondContact O-CG2 3.33Å; H207-V211 PolarHBondContact O-N 3.39Å; H207-V211 VanDerWaalsContact O-N 3.16Å; H207-Y239 HydrophobicContact CB-CE1 3.88Å; H207-Y239 AromaticContact CG-CE1 3.95Å; H207-Y239 AromaticContact ND1-CE1 3.34Å; H207-Y239 VanDerWaalsContact ND1-CE1 3.34Å; H207-Y239 WeakPolarHBondContact ND1-CE1 3.49Å; H207-Y239 AromaticContact ND1-CZ 3.5Å; H207-Y239 PolarHBondContact ND1-OH 3.41Å
208W94.8Very high89.3Confident5 Ų533 Ų332%0.01919%0.189CC..Hα-helixtrans-66.2-29.9174.768.3-104000113.2V127 R128 F137 Q138 A206 V210 V211 E212V127-W208 HydrophobicContact CB-CB 4.47Å; V127-W208 HydrophobicContact CG2-CE3 3.78Å; R128-W208 HydrophobicContact CG-CD2 4.29Å; R128-W208 HydrophobicContact CG-CE3 4.18Å; R128-W208 HydrophobicContact CG-CZ3 4.3Å; R128-W208 VanDerWaalsContact CZ-CH2 3.44Å; F137-W208 HydrophobicContact CB-CB 4.34Å; F137-W208 PolarHBondContact O-N 2.81Å; Q138-W208 VanDerWaalsContact OE1-CD1 3.3Å; A206-W208 VanDerWaalsContact CB-CD1 3.46Å; A206-W208 HydrophobicContact CB-CD2 4.44Å; A206-W208 HydrophobicContact CB-CG 4.14Å; A206-W208 VanDerWaalsContact CB-NE1 3.3Å; A206-W208 PolarHBondContact O-N 3.22Å; W208-V210 VanDerWaalsContact C-N 3.33Å; W208-V211 PolarHBondContact O-N 3.46Å; W208-E212 PolarHBondContact O-N 3.5Å
209E93.1Very high90.8Very high10 Ų1024.5 Ų24.55%0.04715%0.15CC..Hα-helixtrans-71-32.9175.8-67178.3108.900111.2R159 E205 A206 H207 E212 R213R159-E209 IonicContact CZ-OE1 3.54Å; R159-E209 IonicContact CZ-OE2 3.74Å; R159-E209 IonicContact NE-OE1 2.88Å; R159-E209 PolarHBondContact NE-OE1 3.33Å; R159-E209 IonicContact NH2-OE1 2.75Å; R159-E209 PolarHBondContact NH2-OE1 3.19Å; R159-E209 IonicContact NH2-OE2 2.79Å; R159-E209 PolarHBondContact NH2-OE2 3.13Å; E205-E209 WeakPolarHBondContact CA-OE2 3.24Å; E205-E209 HydrophobicContact CG-CB 3.65Å; A206-E209 HydrophobicContact CB-CG 4.32Å; A206-E209 PolarHBondContact N-OE2 3.21Å; A206-E209 WeakPolarHBondContact O-CB 3.25Å; A206-E209 PolarHBondContact O-N 3.36Å; H207-E209 VanDerWaalsContact C-N 3.31Å; H207-E209 PolarHBondContact O-N 3.18Å; E209-E212 WeakPolarHBondContact O-CB 3.23Å; E209-E212 PolarHBondContact O-N 3.13Å; E209-R213 PolarHBondContact O-N 3.01Å; E209-R213 VanDerWaalsContact O-N 3.13Å
210V95.8Very high91.8Very high1 Ų124 Ų241%0.00614%0.142CC..Hα-helixtrans-63.8-45.2171.2-175.70000110.2T141 E205 A206 H207 W208 R213 I214 Y239 E255T141-V210 HydrophobicContact CG2-CG2 4.06Å; E205-V210 HydrophobicContact CG-CG2 4.17Å; E205-V210 WeakPolarHBondContact OE2-CG2 3.44Å; A206-V210 PolarHBondContact O-N 3.05Å; H207-V210 WeakPolarHBondContact O-CB 3.49Å; H207-V210 PolarHBondContact O-N 3.25Å; W208-V210 VanDerWaalsContact C-N 3.33Å; V210-R213 PolarHBondContact O-N 3.09Å; V210-I214 HydrophobicContact CG1-CD1 4.28Å; V210-I214 WeakPolarHBondContact O-CG1 3.47Å; V210-I214 PolarHBondContact O-N 2.9Å; V210-I214 VanDerWaalsContact O-N 3.09Å; V210-Y239 HydrophobicContact CB-CE1 4.44Å; V210-Y239 HydrophobicContact CB-CE2 4.16Å; V210-Y239 HydrophobicContact CG1-CD2 4.33Å; V210-Y239 HydrophobicContact CG1-CE2 3.46Å; V210-Y239 VanDerWaalsContact CG1-CE2 3.46Å; V210-Y239 WeakPolarHBondContact CG1-OH 3.47Å; V210-E255 HydrophobicContact CG1-CB 3.75Å; V210-E255 HydrophobicContact CG1-CG 3.55Å
211V97.5Very high92.4Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-64.2-41.1176.8178.50000111.8V127 L130 F137 H207 W208 R213 I214 L215 V235 Y239V127-V211 HydrophobicContact CG1-CB 4.38Å; V127-V211 HydrophobicContact CG1-CG1 3.8Å; L130-V211 HydrophobicContact CD2-CG1 4.08Å; L130-V211 HydrophobicContact CD2-CG2 4.36Å; F137-V211 HydrophobicContact CD1-CG2 4.28Å; F137-V211 HydrophobicContact CE1-CG2 4.06Å; H207-V211 WeakPolarHBondContact O-CG2 3.33Å; H207-V211 PolarHBondContact O-N 3.39Å; H207-V211 VanDerWaalsContact O-N 3.16Å; W208-V211 PolarHBondContact O-N 3.46Å; V211-R213 VanDerWaalsContact C-N 3.26Å; V211-R213 PolarHBondContact O-N 3.29Å; V211-I214 PolarHBondContact O-N 2.6Å; V211-L215 HydrophobicContact CG1-CD1 3.95Å; V211-L215 HydrophobicContact CG1-CG 4.46Å; V211-L215 WeakPolarHBondContact O-CG 3.39Å; V211-L215 PolarHBondContact O-N 3.24Å; V211-V235 HydrophobicContact CG1-CG1 3.46Å; V211-V235 VanDerWaalsContact CG1-CG1 3.46Å; V211-Y239 HydrophobicContact CG2-CD1 3.62Å; V211-Y239 HydrophobicContact CG2-CE1 4.21Å; V211-Y239 HydrophobicContact CG2-CG 3.91Å
212E96Very high93.1Very high3 Ų322.9 Ų22.91%0.01413%0.131CC..Hα-helixtrans-51.6-49.1173.9-173.7-176.2-126.500110.8L120 I123 D124 V127 L158 W208 E209 L215 F216L120-E212 HydrophobicContact CD1-CG 3.84Å; I123-E212 HydrophobicContact CG2-CB 4.32Å; I123-E212 HydrophobicContact CG2-CG 3.86Å; D124-E212 VanDerWaalsContact CB-OE1 3.32Å; D124-E212 WeakPolarHBondContact CB-OE1 3.38Å; V127-E212 HydrophobicContact CG2-CB 4.04Å; L158-E212 WeakPolarHBondContact CB-OE2 3.4Å; L158-E212 HydrophobicContact CD1-CG 4.28Å; W208-E212 PolarHBondContact O-N 3.5Å; E209-E212 WeakPolarHBondContact O-CB 3.23Å; E209-E212 PolarHBondContact O-N 3.13Å; E212-L215 PolarHBondContact O-N 3Å; E212-F216 VanDerWaalsContact O-CB 3.3Å; E212-F216 WeakPolarHBondContact O-CB 3.48Å; E212-F216 PolarHBondContact O-N 2.9Å
213R95.4Very high93.9Very high5 Ų520.3 Ų20.32%0.01912%0.123CC..Hα-helixtrans-66.9-41.8-177.5-175.3163.859.6-111.64.2113L74 I78 L158 E205 E209 V210 V211 L215 F216 I217 E255L74-R213 HydrophobicContact CD2-CG 3.84Å; I78-R213 HydrophobicContact CD1-CG 4.13Å; I78-R213 HydrophobicContact CG1-CG 4.14Å; L158-R213 HydrophobicContact CD1-CB 4.08Å; L158-R213 HydrophobicContact CD1-CG 4.38Å; E205-R213 VanDerWaalsContact CD-NH1 3.29Å; E205-R213 IonicContact OE1-CZ 3.27Å; E205-R213 IonicContact OE1-NH1 2.75Å; E205-R213 PolarHBondContact OE1-NH1 3.49Å; E205-R213 IonicContact OE1-NH2 3.75Å; E205-R213 IonicContact OE2-CZ 2.75Å; E205-R213 IonicContact OE2-NH1 3.58Å; E205-R213 PolarHBondContact OE2-NH1 3.33Å; E205-R213 IonicContact OE2-NH2 3.81Å; E205-R213 PolarHBondContact OE2-NH2 2.93Å; E209-R213 PolarHBondContact O-N 3.01Å; E209-R213 VanDerWaalsContact O-N 3.13Å; V210-R213 PolarHBondContact O-N 3.09Å; V211-R213 VanDerWaalsContact C-N 3.26Å; V211-R213 PolarHBondContact O-N 3.29Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-L215 PolarHBondContact O-N 3.27Å; R213-F216 PolarHBondContact O-N 3.39Å; R213-I217 HydrophobicContact CG-CD1 3.98Å; R213-I217 VanDerWaalsContact O-CG1 3.29Å; R213-I217 WeakPolarHBondContact O-CG1 3.48Å; R213-I217 PolarHBondContact O-N 2.87Å; R213-E255 IonicContact CZ-OE1 2.87Å; R213-E255 IonicContact CZ-OE2 2.82Å; R213-E255 IonicContact NE-OE1 3.91Å; R213-E255 PolarHBondContact NE-OE1 3.28Å; R213-E255 IonicContact NE-OE2 2.7Å; R213-E255 VanDerWaalsContact NH2-CD 3.3Å; R213-E255 IonicContact NH2-OE1 2.91Å; R213-E255 PolarHBondContact NH2-OE1 3.48Å; R213-E255 IonicContact NH2-OE2 3.15Å; R213-E255 PolarHBondContact NH2-OE2 3.46Å
214I97.9Very high94.3Very high0 Ų022.2 Ų22.20%014%0.143CC..Hα-helixtrans-57.1-49.9174.4-66.9165.1000110.1V210 V211 Y218 V235 Y239 E255 T258 F259V210-I214 HydrophobicContact CG1-CD1 4.28Å; V210-I214 WeakPolarHBondContact O-CG1 3.47Å; V210-I214 PolarHBondContact O-N 2.9Å; V210-I214 VanDerWaalsContact O-N 3.09Å; V211-I214 PolarHBondContact O-N 2.6Å; I214-Y218 WeakPolarHBondContact O-CB 3.45Å; I214-Y218 PolarHBondContact O-N 3.32Å; I214-V235 HydrophobicContact CG2-CG2 3.82Å; I214-Y239 HydrophobicContact CD1-CD2 4.07Å; I214-E255 HydrophobicContact CD1-CG 3.99Å; I214-E255 HydrophobicContact CG1-CG 3.8Å; I214-T258 HydrophobicContact CD1-CG2 3.88Å; I214-F259 HydrophobicContact CG2-CB 4.16Å; I214-F259 HydrophobicContact CG2-CD2 4.2Å
215L98Very high94.5Very high0 Ų021.3 Ų21.30%013%0.134CC..Hα-helixtrans-65.9-40.5-179.3-71.3167.9000112.1I123 V127 V211 E212 R213 Y218 A219 Y227 M231 N232 V235 F262I123-L215 HydrophobicContact CD1-CB 4.06Å; I123-L215 HydrophobicContact CG1-CB 4.39Å; I123-L215 HydrophobicContact CG2-CB 3.85Å; I123-L215 HydrophobicContact CG2-CD1 3.9Å; V127-L215 HydrophobicContact CG1-CD1 3.59Å; V211-L215 HydrophobicContact CG1-CD1 3.95Å; V211-L215 HydrophobicContact CG1-CG 4.46Å; V211-L215 WeakPolarHBondContact O-CG 3.39Å; V211-L215 PolarHBondContact O-N 3.24Å; E212-L215 PolarHBondContact O-N 3Å; R213-L215 VanDerWaalsContact C-N 3.34Å; R213-L215 PolarHBondContact O-N 3.27Å; L215-Y218 PolarHBondContact O-N 3.05Å; L215-A219 WeakPolarHBondContact O-CB 3.3Å; L215-A219 PolarHBondContact O-N 2.91Å; L215-Y227 HydrophobicContact CB-CD2 4.48Å; L215-Y227 HydrophobicContact CD1-CE2 4.03Å; L215-Y227 HydrophobicContact CD2-CD2 4.36Å; L215-Y227 HydrophobicContact CD2-CE2 4.23Å; L215-M231 HydrophobicContact CD2-CB 4.08Å; L215-N232 HydrophobicContact CD1-CB 3.95Å; L215-V235 HydrophobicContact CD1-CG1 3.93Å; L215-V235 HydrophobicContact CD2-CB 4.32Å; L215-V235 HydrophobicContact CD2-CG1 3.78Å; L215-V235 HydrophobicContact CG-CG1 3.88Å; L215-F262 HydrophobicContact CD2-CE1 4.07Å; L215-F262 HydrophobicContact CD2-CZ 3.91Å
216F96.2Very high94.6Very high0 Ų022.1 Ų22.10%014%0.143CC..Hα-helixtrans-64.5-45180-176-100.3000111.7I78 D116 L120 I123 L158 R161 E212 R213 Y218 A219 K220I78-F216 HydrophobicContact CD1-CD1 3.45Å; I78-F216 VanDerWaalsContact CD1-CD1 3.45Å; I78-F216 HydrophobicContact CD1-CE1 3.93Å; D116-F216 HydrophobicContact CB-CE2 4.15Å; D116-F216 HydrophobicContact CB-CZ 4Å; L120-F216 HydrophobicContact CB-CD2 3.97Å; L120-F216 HydrophobicContact CB-CE2 3.92Å; L120-F216 HydrophobicContact CD1-CB 4.47Å; L120-F216 HydrophobicContact CD1-CD2 3.85Å; L120-F216 HydrophobicContact CD1-CE2 4.43Å; L120-F216 HydrophobicContact CD1-CG 4.23Å; L120-F216 HydrophobicContact CG-CD2 4.43Å; I123-F216 HydrophobicContact CD1-CB 4.13Å; I123-F216 HydrophobicContact CD1-CD2 4.33Å; L158-F216 HydrophobicContact CD1-CB 4.33Å; L158-F216 HydrophobicContact CD1-CD1 4.46Å; L158-F216 HydrophobicContact CD1-CG 4.48Å; L158-F216 HydrophobicContact CD2-CD1 4.08Å; L158-F216 HydrophobicContact CD2-CE1 4.16Å; L158-F216 HydrophobicContact CD2-CG 4.47Å; R161-F216 VanDerWaalsContact NH1-CZ 3.32Å; E212-F216 VanDerWaalsContact O-CB 3.3Å; E212-F216 WeakPolarHBondContact O-CB 3.48Å; E212-F216 PolarHBondContact O-N 2.9Å; R213-F216 PolarHBondContact O-N 3.39Å; F216-Y218 VanDerWaalsContact C-N 3.34Å; F216-Y218 PolarHBondContact O-N 3.03Å; F216-A219 PolarHBondContact O-N 3.04Å; F216-K220 HydrophobicContact CD1-CD 4.2Å; F216-K220 HydrophobicContact CE1-CD 3.45Å; F216-K220 VanDerWaalsContact CE1-CD 3.45Å; F216-K220 HydrophobicContact CE1-CG 4.15Å; F216-K220 HydrophobicContact CE2-CD 4.47Å; F216-K220 HydrophobicContact CZ-CD 3.6Å; F216-K220 HydrophobicContact CZ-CG 4.14Å; F216-K220 WeakPolarHBondContact O-CG 3.43Å; F216-K220 PolarHBondContact O-N 3.27Å
217I96.3Very high94.7Very high0 Ų022.7 Ų22.70%015%0.145CC..Hα-helixtrans-61.2-45.1174.7-66.9167.6000110.4Y70 F73 L74 M77 I78 R213 A219 K220 L221 F259Y70-I217 HydrophobicContact CE2-CD1 3.83Å; F73-I217 HydrophobicContact CB-CG2 3.87Å; F73-I217 HydrophobicContact CD2-CG2 4.2Å; F73-I217 HydrophobicContact CG-CG2 4.28Å; L74-I217 HydrophobicContact CD2-CD1 3.7Å; L74-I217 HydrophobicContact CG-CD1 4.34Å; M77-I217 HydrophobicContact SD-CG2 4.15Å; I78-I217 HydrophobicContact CD1-CD1 4.43Å; I78-I217 HydrophobicContact CD1-CG1 3.95Å; I78-I217 HydrophobicContact CG1-CD1 4.24Å; I78-I217 HydrophobicContact CG1-CG1 4.21Å; R213-I217 HydrophobicContact CG-CD1 3.98Å; R213-I217 VanDerWaalsContact O-CG1 3.29Å; R213-I217 WeakPolarHBondContact O-CG1 3.48Å; R213-I217 PolarHBondContact O-N 2.87Å; I217-A219 VanDerWaalsContact C-N 3.33Å; I217-A219 PolarHBondContact O-N 2.85Å; I217-K220 PolarHBondContact O-N 3.11Å; I217-L221 HydrophobicContact CG2-CD1 3.81Å; I217-L221 PolarHBondContact O-N 2.72Å; I217-F259 HydrophobicContact CB-CE2 4.24Å; I217-F259 HydrophobicContact CG2-CD2 4.29Å; I217-F259 HydrophobicContact CG2-CE2 3.66Å; I217-F259 HydrophobicContact CG2-CZ 4.07Å
218Y97.7Very high94.5Very high3 Ų324.4 Ų24.41%0.01216%0.156CC..Hα-helixtrans-58.5-45.5176.8177.9-84000111.6I214 L215 F216 K220 L221 N222 M231 F262 T263 M266I214-Y218 WeakPolarHBondContact O-CB 3.45Å; I214-Y218 PolarHBondContact O-N 3.32Å; L215-Y218 PolarHBondContact O-N 3.05Å; F216-Y218 VanDerWaalsContact C-N 3.34Å; F216-Y218 PolarHBondContact O-N 3.03Å; Y218-K220 VanDerWaalsContact C-N 3.33Å; Y218-K220 PolarHBondContact O-N 2.88Å; Y218-L221 PolarHBondContact O-N 3.18Å; Y218-N222 HydrophobicContact CE1-CB 4.15Å; Y218-N222 WeakPolarHBondContact CE2-ND2 2.98Å; Y218-N222 WeakPolarHBondContact O-CB 3.42Å; Y218-N222 PolarHBondContact O-N 3.39Å; Y218-N222 PolarHBondContact O-ND2 2.94Å; Y218-M231 HydrophobicContact CD1-CE 3.38Å; Y218-M231 HydrophobicContact CE1-CE 3.26Å; Y218-M231 HydrophobicContact CG-CE 4.4Å; Y218-F262 HydrophobicContact CD1-CE1 4.06Å; Y218-F262 AromaticContact CD2-CD1 3.92Å; Y218-F262 HydrophobicContact CD2-CD1 3.92Å; Y218-F262 AromaticContact CD2-CE1 3.75Å; Y218-F262 HydrophobicContact CD2-CE1 3.75Å; Y218-F262 HydrophobicContact CE1-CE1 4.47Å; Y218-F262 HydrophobicContact CE2-CD1 4.44Å; Y218-F262 HydrophobicContact CE2-CE1 4.17Å; Y218-F262 HydrophobicContact CG-CD1 4.2Å; Y218-F262 AromaticContact CG-CE1 3.7Å; Y218-F262 HydrophobicContact CG-CE1 3.7Å; Y218-T263 HydrophobicContact CE2-CG2 4.38Å; Y218-M266 HydrophobicContact CE2-CB 3.82Å; Y218-M266 HydrophobicContact CE2-CG 4.05Å; Y218-M266 VanDerWaalsContact OH-CB 3.29Å; Y218-M266 WeakPolarHBondContact OH-CB 3.21Å
219A96.3Very high94.3Very high7 Ų730.3 Ų30.36%0.05818%0.184CC..Hα-helixtrans-59.9-44179.900000111.4V119 L215 F216 I217 N222V119-A219 HydrophobicContact CG1-CB 3.96Å; L215-A219 WeakPolarHBondContact O-CB 3.3Å; L215-A219 PolarHBondContact O-N 2.91Å; F216-A219 PolarHBondContact O-N 3.04Å; I217-A219 VanDerWaalsContact C-N 3.33Å; I217-A219 PolarHBondContact O-N 2.85Å; A219-N222 CarbonylContact O-C 3.44Å; A219-N222 PolarHBondContact O-N 3.1Å
220K93.9Very high94.3Very high61 Ų6130 Ų3027%0.26518%0.183SC..Hα-helixtrans-65.9-37.9178.5-73.9-163.262.4144.90113.2M77 D116 F216 I217 Y218 N222M77-K220 HydrophobicContact CB-CD 4.17Å; M77-K220 HydrophobicContact SD-CB 4.07Å; D116-K220 WeakPolarHBondContact OD2-CE 3.34Å; D116-K220 IonicContact OD2-NZ 3.06Å; D116-K220 PolarHBondContact OD2-NZ 3.1Å; F216-K220 HydrophobicContact CD1-CD 4.2Å; F216-K220 HydrophobicContact CE1-CD 3.45Å; F216-K220 VanDerWaalsContact CE1-CD 3.45Å; F216-K220 HydrophobicContact CE1-CG 4.15Å; F216-K220 HydrophobicContact CE2-CD 4.47Å; F216-K220 HydrophobicContact CZ-CD 3.6Å; F216-K220 HydrophobicContact CZ-CG 4.14Å; F216-K220 WeakPolarHBondContact O-CG 3.43Å; F216-K220 PolarHBondContact O-N 3.27Å; I217-K220 PolarHBondContact O-N 3.11Å; Y218-K220 VanDerWaalsContact C-N 3.33Å; Y218-K220 PolarHBondContact O-N 2.88Å; K220-N222 VanDerWaalsContact C-N 3.3Å
221L95.6Very high94.3Very high64 Ų6430 Ų3034%0.33518%0.183SC..Hα-helixtrans-74-21.3177.9-77.4170.9000113.2F73 M77 I217 Y218 P223 F259F73-L221 HydrophobicContact CD1-CD1 4.44Å; F73-L221 HydrophobicContact CD2-CD1 3.98Å; F73-L221 HydrophobicContact CE1-CD1 4.29Å; F73-L221 HydrophobicContact CE1-CD2 4.27Å; F73-L221 HydrophobicContact CE2-CD1 3.82Å; F73-L221 HydrophobicContact CG-CD1 4.3Å; F73-L221 HydrophobicContact CZ-CD1 3.98Å; M77-L221 HydrophobicContact CE-CD1 4.35Å; M77-L221 HydrophobicContact CE-CD2 3.41Å; M77-L221 VanDerWaalsContact CE-CD2 3.41Å; M77-L221 HydrophobicContact CE-CG 3.74Å; M77-L221 HydrophobicContact SD-CD2 4.41Å; M77-L221 HydrophobicContact SD-CG 4.09Å; I217-L221 HydrophobicContact CG2-CD1 3.81Å; I217-L221 PolarHBondContact O-N 2.72Å; Y218-L221 PolarHBondContact O-N 3.18Å; L221-P223 VanDerWaalsContact C-CD 3.45Å; L221-P223 WeakPolarHBondContact O-CD 3.27Å; L221-F259 HydrophobicContact CD1-CE1 4.48Å; L221-F259 HydrophobicContact CD1-CE2 4.26Å; L221-F259 HydrophobicContact CD1-CZ 3.57Å
222N94.6Very high94.3Very high46 Ų4630.1 Ų30.125%0.24618%0.184CC..  trans-123.962.2-174.8-62.9-83.9000111.9Y218 A219 K220 G224 I225 A226Y218-N222 HydrophobicContact CE1-CB 4.15Å; Y218-N222 WeakPolarHBondContact CE2-ND2 2.98Å; Y218-N222 WeakPolarHBondContact O-CB 3.42Å; Y218-N222 PolarHBondContact O-N 3.39Å; Y218-N222 PolarHBondContact O-ND2 2.94Å; A219-N222 CarbonylContact O-C 3.44Å; A219-N222 PolarHBondContact O-N 3.1Å; K220-N222 VanDerWaalsContact C-N 3.3Å; N222-G224 PolarHBondContact O-N 2.89Å; N222-I225 PolarHBondContact O-N 3.38Å; N222-A226 WeakPolarHBondContact O-CA 3.32Å; N222-A226 PolarHBondContact O-N 3.43Å
223P90.3Very high94.3Very high111 Ų11131.3 Ų31.372%0.72119%0.189SC*.THydrogen-bonded Turntrans-62.2-18.2-172.426.3-36.3000114.6L221 I225L221-P223 VanDerWaalsContact C-CD 3.45Å; L221-P223 WeakPolarHBondContact O-CD 3.27Å; P223-I225 VanDerWaalsContact C-N 3.3Å; P223-I225 PolarHBondContact O-N 3.04Å
224G87.3Confident94.4Very high80 Ų8031.1 Ų31.183%0.82519%0.188SC*.THydrogen-bonded Turntrans-69.5-24.1175.700000114.3N222N222-G224 PolarHBondContact O-N 2.89Å
225I88.4Confident94.4Very high30 Ų3031.1 Ų31.115%0.15419%0.188CC..THydrogen-bonded Turntrans-117.8-37.2177-65150000110.4N222 P223 V228 R270 F273 I274N222-I225 PolarHBondContact O-N 3.38Å; P223-I225 VanDerWaalsContact C-N 3.3Å; P223-I225 PolarHBondContact O-N 3.04Å; I225-V228 HydrophobicContact CG2-CG2 4.09Å; I225-R270 HydrophobicContact CD1-CB 3.57Å; I225-R270 HydrophobicContact CD1-CG 4.19Å; I225-F273 HydrophobicContact CG2-CB 4.47Å; I225-I274 HydrophobicContact CD1-CD1 4.27Å; I225-I274 HydrophobicContact CG1-CD1 4.04Å; I225-I274 HydrophobicContact CG1-CG1 3.96Å
226A91.9Very high94.4Very high25 Ų2531.1 Ų31.121%0.20719%0.188CC..  trans53.6-134.2-171.500000111.1N222N222-A226 WeakPolarHBondContact O-CA 3.32Å; N222-A226 PolarHBondContact O-N 3.43Å
227Y95Very high94.4Very high13 Ų1331.2 Ų31.25%0.05119%0.189CC..  trans-101.8133.7173.7176-105.4000109.9Q122 I123 D126 L215 M231 N232Q122-Y227 HydrophobicContact CB-CD1 4.16Å; Q122-Y227 HydrophobicContact CB-CE1 4.23Å; Q122-Y227 HydrophobicContact CG-CD1 4Å; Q122-Y227 HydrophobicContact CG-CE1 3.8Å; I123-Y227 HydrophobicContact CD1-CD2 4.17Å; I123-Y227 HydrophobicContact CD1-CG 4.01Å; I123-Y227 HydrophobicContact CG1-CD1 3.6Å; I123-Y227 HydrophobicContact CG1-CD2 3.61Å; I123-Y227 HydrophobicContact CG1-CE1 3.93Å; I123-Y227 HydrophobicContact CG1-CE2 3.93Å; I123-Y227 HydrophobicContact CG1-CG 3.43Å; I123-Y227 VanDerWaalsContact CG1-CG 3.43Å; D126-Y227 WeakPolarHBondContact CB-OH 3.47Å; D126-Y227 VanDerWaalsContact CG-OH 3.3Å; D126-Y227 WeakPolarHBondContact OD2-CE1 3.36Å; D126-Y227 PolarHBondContact OD2-OH 2.91Å; L215-Y227 HydrophobicContact CB-CD2 4.48Å; L215-Y227 HydrophobicContact CD1-CE2 4.03Å; L215-Y227 HydrophobicContact CD2-CD2 4.36Å; L215-Y227 HydrophobicContact CD2-CE2 4.23Å; Y227-M231 HydrophobicContact CD2-CB 4.13Å; Y227-M231 HydrophobicContact CD2-SD 4.29Å; Y227-M231 HydrophobicContact CE2-CB 3.84Å; Y227-N232 PolarHBondContact OH-OD1 3.27Å
228V92.2Very high94.5Very high48 Ų4831.2 Ų31.229%0.29119%0.189SC..  trans-122.1134.1171.9-175.50000108.3I225 G230 M231 F273I225-V228 HydrophobicContact CG2-CG2 4.09Å; V228-G230 PolarHBondContact O-N 3.39Å; V228-M231 HydrophobicContact CB-SD 4.12Å; V228-M231 PolarHBondContact N-SD 2.66Å; V228-M231 WeakPolarHBondContact O-CB 3.44Å; V228-M231 VanDerWaalsContact O-CG 3.28Å; V228-M231 WeakPolarHBondContact O-CG 3.29Å; V228-M231 PolarHBondContact O-N 3.42Å; V228-F273 HydrophobicContact CB-CB 4.49Å; V228-F273 HydrophobicContact CB-CD1 3.82Å; V228-F273 HydrophobicContact CG1-CD1 3.76Å; V228-F273 HydrophobicContact CG2-CB 4.22Å; V228-F273 HydrophobicContact CG2-CD1 4.45Å
229Q91.5Very high94.6Very high130 Ų13031.2 Ų31.261%0.60719%0.189SC*.THydrogen-bonded Turntrans-53.7130.2178.6179.7175.9-5.500110.2D126D126-Q229 WeakPolarHBondContact OD2-CG 3.44Å
230G92Very high94.7Very high3 Ų334.3 Ų34.33%0.03120%0.2CC..THydrogen-bonded Turntrans106.7-21.3-173.100000113.6V228 N232 E233 L323V228-G230 PolarHBondContact O-N 3.39Å; G230-N232 WeakPolarHBondContact CA-OD1 3.19Å; G230-N232 PolarHBondContact N-OD1 3.18Å; G230-N232 PolarHBondContact O-N 3.38Å; G230-E233 WeakPolarHBondContact O-CB 3.42Å; G230-E233 PolarHBondContact O-N 2.79Å; G230-L323 WeakPolarHBondContact O-CD2 3.2Å
231M96Very high94.8Very high0 Ų031.8 Ų31.80%019%0.19CC..Hα-helixtrans-61-29.9173.6-74.6173.863.100112.7L215 Y218 Y227 V228 E233 I234 V235 F262 M266 F273L215-M231 HydrophobicContact CD2-CB 4.08Å; Y218-M231 HydrophobicContact CD1-CE 3.38Å; Y218-M231 HydrophobicContact CE1-CE 3.26Å; Y218-M231 HydrophobicContact CG-CE 4.4Å; Y227-M231 HydrophobicContact CD2-CB 4.13Å; Y227-M231 HydrophobicContact CD2-SD 4.29Å; Y227-M231 HydrophobicContact CE2-CB 3.84Å; V228-M231 HydrophobicContact CB-SD 4.12Å; V228-M231 PolarHBondContact N-SD 2.66Å; V228-M231 WeakPolarHBondContact O-CB 3.44Å; V228-M231 VanDerWaalsContact O-CG 3.28Å; V228-M231 WeakPolarHBondContact O-CG 3.29Å; V228-M231 PolarHBondContact O-N 3.42Å; M231-E233 PolarHBondContact O-N 3.38Å; M231-I234 PolarHBondContact O-N 3.12Å; M231-I234 VanDerWaalsContact O-N 3.12Å; M231-V235 PolarHBondContact O-N 2.9Å; M231-V235 VanDerWaalsContact O-N 3.1Å; M231-F262 HydrophobicContact CB-CZ 4.29Å; M231-F262 HydrophobicContact CE-CE1 3.97Å; M231-F262 HydrophobicContact CE-CZ 3.66Å; M231-M266 HydrophobicContact CE-CE 3.94Å; M231-M266 HydrophobicContact CE-SD 4.44Å; M231-M266 HydrophobicContact CG-CE 4.19Å; M231-M266 HydrophobicContact SD-CE 4.15Å; M231-F273 HydrophobicContact CG-CE1 4.12Å; M231-F273 HydrophobicContact CG-CZ 4.3Å
232N96.8Very high94.9Very high4 Ų428.8 Ų28.82%0.02117%0.174CC..Hα-helixtrans-57.1-37171.564.6-61.5000112.4D126 V127 L130 L215 Y227 G230 I234 V235 G236D126-N232 HydrophobicContact CB-CB 4.21Å; D126-N232 PolarHBondContact O-ND2 3.15Å; V127-N232 HydrophobicContact CG1-CB 4.18Å; L130-N232 VanDerWaalsContact CD1-O 3.26Å; L130-N232 WeakPolarHBondContact CD1-O 3.48Å; L215-N232 HydrophobicContact CD1-CB 3.95Å; Y227-N232 PolarHBondContact OH-OD1 3.27Å; G230-N232 WeakPolarHBondContact CA-OD1 3.19Å; G230-N232 PolarHBondContact N-OD1 3.18Å; G230-N232 PolarHBondContact O-N 3.38Å; N232-I234 PolarHBondContact O-N 3.26Å; N232-V235 WeakPolarHBondContact O-CG1 3.2Å; N232-G236 PolarHBondContact O-N 3.01Å
233E96.2Very high95.1Very high28 Ų2827.2 Ų27.213%0.13117%0.167CC..Hα-helixtrans-74.4-14.7179.6-51.1-63.616200113G230 M231 P237 L323 S326 Q327G230-E233 WeakPolarHBondContact O-CB 3.42Å; G230-E233 PolarHBondContact O-N 2.79Å; M231-E233 PolarHBondContact O-N 3.38Å; E233-P237 WeakPolarHBondContact O-CD 3.45Å; E233-L323 HydrophobicContact CG-CD1 4.38Å; E233-S326 VanDerWaalsContact CB-OG 3.26Å; E233-S326 WeakPolarHBondContact CB-OG 3.14Å; E233-S326 WeakPolarHBondContact O-CB 3.3Å; E233-S326 PolarHBondContact O-OG 3.35Å; E233-S326 VanDerWaalsContact O-OG 3.11Å; E233-Q327 HydrophobicContact CG-CG 3.95Å
234I97.2Very high95.3Very high0 Ų024.8 Ų24.80%015%0.151CC..Hα-helixtrans-92-45.6176.1-64.2162.5000110.2M231 N232 G236 F262 L265 M266 I269 F273 W338M231-I234 PolarHBondContact O-N 3.12Å; M231-I234 VanDerWaalsContact O-N 3.12Å; N232-I234 PolarHBondContact O-N 3.26Å; I234-G236 VanDerWaalsContact C-N 3.3Å; I234-G236 PolarHBondContact O-N 3.45Å; I234-F262 HydrophobicContact CB-CE2 4.07Å; I234-F262 HydrophobicContact CG2-CD2 4.05Å; I234-F262 HydrophobicContact CG2-CE2 3.82Å; I234-L265 HydrophobicContact CG2-CD2 3.68Å; I234-M266 HydrophobicContact CD1-SD 4.41Å; I234-I269 HydrophobicContact CD1-CD1 3.74Å; I234-I269 HydrophobicContact CG2-CD1 4.44Å; I234-F273 HydrophobicContact CD1-CE2 4.15Å; I234-F273 HydrophobicContact CD1-CZ 3.6Å; I234-W338 HydrophobicContact CB-CH2 4.49Å; I234-W338 HydrophobicContact CG2-CH2 4.08Å; I234-W338 WeakPolarHBondContact O-CH2 3.35Å
235V98.2Very high95.7Very high0 Ų021.4 Ų21.40%011%0.113CC..Hα-helixtrans-69.9-30.3179.366.90000112V211 I214 L215 M231 N232 L238 Y239 T258 F262V211-V235 HydrophobicContact CG1-CG1 3.46Å; V211-V235 VanDerWaalsContact CG1-CG1 3.46Å; I214-V235 HydrophobicContact CG2-CG2 3.82Å; L215-V235 HydrophobicContact CD1-CG1 3.93Å; L215-V235 HydrophobicContact CD2-CB 4.32Å; L215-V235 HydrophobicContact CD2-CG1 3.78Å; L215-V235 HydrophobicContact CG-CG1 3.88Å; M231-V235 PolarHBondContact O-N 2.9Å; M231-V235 VanDerWaalsContact O-N 3.1Å; N232-V235 WeakPolarHBondContact O-CG1 3.2Å; V235-L238 PolarHBondContact O-N 3.11Å; V235-Y239 WeakPolarHBondContact O-CB 3.45Å; V235-Y239 PolarHBondContact O-N 3.32Å; V235-T258 HydrophobicContact CG2-CG2 3.65Å; V235-F262 HydrophobicContact CB-CD2 3.75Å; V235-F262 HydrophobicContact CB-CE2 3.89Å; V235-F262 HydrophobicContact CB-CG 4.2Å; V235-F262 HydrophobicContact CB-CZ 4.44Å; V235-F262 HydrophobicContact CG2-CB 4.4Å; V235-F262 HydrophobicContact CG2-CD2 4.19Å; V235-F262 HydrophobicContact CG2-CG 4.16Å
236G97.9Very high96.1Very high0 Ų023.7 Ų23.70%013%0.13CC..Hα-helixtrans-54.4-56.3-177.600000114.1N232 I234 L238 Y239 Y240N232-G236 PolarHBondContact O-N 3.01Å; I234-G236 VanDerWaalsContact C-N 3.3Å; I234-G236 PolarHBondContact O-N 3.45Å; G236-L238 VanDerWaalsContact C-N 3.33Å; G236-L238 PolarHBondContact O-N 3.47Å; G236-Y239 PolarHBondContact O-N 3.06Å; G236-Y240 WeakPolarHBondContact O-CB 3.36Å; G236-Y240 PolarHBondContact O-N 3.38Å
237P97.9Very high96.2Very high2 Ų225.8 Ų25.81%0.01314%0.138CC..Hα-helixtrans-61.8-35.1178-2432.5000114.6E233 T241 L331 V334 I335 W338E233-P237 WeakPolarHBondContact O-CD 3.45Å; P237-T241 WeakPolarHBondContact O-CB 3.35Å; P237-T241 PolarHBondContact O-N 3.28Å; P237-T241 VanDerWaalsContact O-N 3.13Å; P237-T241 PolarHBondContact O-OG1 3.12Å; P237-L331 HydrophobicContact CB-CD1 3.67Å; P237-L331 HydrophobicContact CG-CD1 3.7Å; P237-V334 HydrophobicContact CB-CG1 4.37Å; P237-V334 HydrophobicContact CG-CG1 3.98Å; P237-I335 HydrophobicContact CB-CG1 4.45Å; P237-W338 HydrophobicContact CB-CE3 4.07Å; P237-W338 HydrophobicContact CB-CH2 4.04Å; P237-W338 HydrophobicContact CB-CZ3 3.73Å; P237-W338 HydrophobicContact CG-CH2 3.97Å; P237-W338 HydrophobicContact CG-CZ2 4.32Å; P237-W338 HydrophobicContact CG-CZ3 4.19Å
238L98.4Very high96.2Very high0 Ų028.4 Ų28.40%016%0.158CC..Hα-helixtrans-62.4-52.6173.3-63.1-179.8000110.6W45 L49 V235 G236 Y240 T241 F242 T258 C261 F262 L265 W338 F342W45-L238 HydrophobicContact CE3-CD2 3.66Å; W45-L238 HydrophobicContact CZ3-CD2 3.7Å; L49-L238 HydrophobicContact CD1-CD2 3.72Å; V235-L238 PolarHBondContact O-N 3.11Å; G236-L238 VanDerWaalsContact C-N 3.33Å; G236-L238 PolarHBondContact O-N 3.47Å; L238-Y240 PolarHBondContact O-N 3.4Å; L238-T241 PolarHBondContact O-N 3.19Å; L238-F242 WeakPolarHBondContact O-CG 3.44Å; L238-F242 PolarHBondContact O-N 3.2Å; L238-F242 VanDerWaalsContact O-N 3.13Å; L238-T258 HydrophobicContact CB-CG2 4.03Å; L238-C261 HydrophobicContact CD1-CB 4.48Å; L238-F262 HydrophobicContact CD1-CB 3.92Å; L238-F262 HydrophobicContact CD1-CD2 4.3Å; L238-L265 HydrophobicContact CD1-CD2 4.4Å; L238-W338 HydrophobicContact CD2-CE3 4.25Å; L238-W338 HydrophobicContact CD2-CZ3 3.84Å; L238-W338 HydrophobicContact CG-CZ3 3.92Å; L238-F342 HydrophobicContact CD2-CE2 4.12Å; L238-F342 HydrophobicContact CD2-CZ 4.27Å
239Y98.5Very high96.2Very high4 Ų431.8 Ų31.82%0.01617%0.171CC..Hα-helixtrans-60.2-47.8-178.5-179.3-110.6000111.6F136 F137 H207 V210 V211 I214 V235 G236 T241 F242 A243 A254 T258F136-Y239 HydrophobicContact CE1-CD1 4.11Å; F136-Y239 AromaticContact CE1-CE1 3.98Å; F136-Y239 HydrophobicContact CE1-CE1 3.98Å; F136-Y239 HydrophobicContact CZ-CE1 4.3Å; F137-Y239 HydrophobicContact CE1-CD1 4.03Å; H207-Y239 HydrophobicContact CB-CE1 3.88Å; H207-Y239 AromaticContact CG-CE1 3.95Å; H207-Y239 AromaticContact ND1-CE1 3.34Å; H207-Y239 VanDerWaalsContact ND1-CE1 3.34Å; H207-Y239 WeakPolarHBondContact ND1-CE1 3.49Å; H207-Y239 AromaticContact ND1-CZ 3.5Å; H207-Y239 PolarHBondContact ND1-OH 3.41Å; V210-Y239 HydrophobicContact CB-CE1 4.44Å; V210-Y239 HydrophobicContact CB-CE2 4.16Å; V210-Y239 HydrophobicContact CG1-CD2 4.33Å; V210-Y239 HydrophobicContact CG1-CE2 3.46Å; V210-Y239 VanDerWaalsContact CG1-CE2 3.46Å; V210-Y239 WeakPolarHBondContact CG1-OH 3.47Å; V211-Y239 HydrophobicContact CG2-CD1 3.62Å; V211-Y239 HydrophobicContact CG2-CE1 4.21Å; V211-Y239 HydrophobicContact CG2-CG 3.91Å; I214-Y239 HydrophobicContact CD1-CD2 4.07Å; V235-Y239 WeakPolarHBondContact O-CB 3.45Å; V235-Y239 PolarHBondContact O-N 3.32Å; G236-Y239 PolarHBondContact O-N 3.06Å; Y239-T241 VanDerWaalsContact C-N 3.28Å; Y239-T241 PolarHBondContact O-N 2.93Å; Y239-F242 PolarHBondContact O-N 2.87Å; Y239-A243 HydrophobicContact CD1-CB 4.44Å; Y239-A243 HydrophobicContact CD2-CB 4.45Å; Y239-A243 HydrophobicContact CE1-CB 4.06Å; Y239-A243 HydrophobicContact CE2-CB 4.04Å; Y239-A243 WeakPolarHBondContact O-CB 3.47Å; Y239-A243 PolarHBondContact O-N 3.46Å; Y239-A254 HydrophobicContact CE2-CB 4.49Å; Y239-T258 WeakPolarHBondContact CA-OG1 3.26Å; Y239-T258 HydrophobicContact CD2-CG2 4.49Å
240Y97.9Very high96.4Very high72 Ų7227.8 Ų27.828%0.28215%0.15SC..Hα-helixtrans-54.7-46.3176.7176.3-90.6000111.4I134 F136 G236 L238 F242 T244 L331 I335I134-Y240 HydrophobicContact CD1-CD2 4.19Å; I134-Y240 HydrophobicContact CD1-CE2 4.19Å; F136-Y240 HydrophobicContact CB-CD2 4.29Å; F136-Y240 HydrophobicContact CB-CE2 4.2Å; F136-Y240 AromaticContact CD1-CD2 3.6Å; F136-Y240 HydrophobicContact CD1-CD2 3.6Å; F136-Y240 HydrophobicContact CD1-CE2 4.29Å; F136-Y240 HydrophobicContact CD2-CD2 4.08Å; F136-Y240 HydrophobicContact CD2-CE2 4.05Å; F136-Y240 AromaticContact CE1-CD2 3.89Å; F136-Y240 HydrophobicContact CE1-CD2 3.89Å; F136-Y240 HydrophobicContact CE2-CD2 4.35Å; F136-Y240 AromaticContact CG-CD2 3.7Å; F136-Y240 HydrophobicContact CG-CD2 3.7Å; F136-Y240 AromaticContact CG-CE2 3.9Å; F136-Y240 HydrophobicContact CG-CE2 3.9Å; F136-Y240 HydrophobicContact CZ-CD2 4.26Å; G236-Y240 WeakPolarHBondContact O-CB 3.36Å; G236-Y240 PolarHBondContact O-N 3.38Å; L238-Y240 PolarHBondContact O-N 3.4Å; Y240-F242 VanDerWaalsContact C-N 3.3Å; Y240-F242 PolarHBondContact O-N 3.43Å; Y240-T244 HydrophobicContact CD2-CG2 4.09Å; Y240-T244 HydrophobicContact CE1-CG2 4.35Å; Y240-T244 HydrophobicContact CE2-CG2 3.85Å; Y240-T244 HydrophobicContact CG-CG2 4.44Å; Y240-T244 WeakPolarHBondContact O-CB 3.35Å; Y240-T244 WeakPolarHBondContact O-CG2 3.17Å; Y240-T244 PolarHBondContact O-N 3.26Å; Y240-T244 PolarHBondContact O-OG1 2.88Å; Y240-L331 HydrophobicContact CD1-CD2 3.78Å; Y240-L331 HydrophobicContact CD1-CG 4.49Å; Y240-L331 HydrophobicContact CD2-CD2 3.71Å; Y240-L331 HydrophobicContact CE1-CD2 4.16Å; Y240-L331 HydrophobicContact CE2-CD2 4.09Å; Y240-L331 HydrophobicContact CG-CD2 3.53Å; Y240-I335 HydrophobicContact CD1-CD1 3.62Å; Y240-I335 HydrophobicContact CE1-CD1 3.89Å
241T97.5Very high96.6Very high8 Ų829.8 Ų29.85%0.04916%0.158CC..Hα-helixtrans-62.8-36.6-178.2-60.60000112.2R41 W45 P237 L238 Y239R41-T241 HydrophobicContact CB-CG2 4.35Å; R41-T241 HydrophobicContact CG-CG2 3.9Å; W45-T241 HydrophobicContact CD2-CG2 4.25Å; W45-T241 HydrophobicContact CE3-CG2 3.94Å; W45-T241 HydrophobicContact CZ3-CG2 4.16Å; W45-T241 WeakPolarHBondContact CZ3-OG1 3.21Å; P237-T241 WeakPolarHBondContact O-CB 3.35Å; P237-T241 PolarHBondContact O-N 3.28Å; P237-T241 VanDerWaalsContact O-N 3.13Å; P237-T241 PolarHBondContact O-OG1 3.12Å; L238-T241 PolarHBondContact O-N 3.19Å; Y239-T241 VanDerWaalsContact C-N 3.28Å; Y239-T241 PolarHBondContact O-N 2.93Å
242F98Very high96.6Very high0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-85-37.2-179.3-59.4-14.7000112.7C42 W45 K46 L238 Y239 Y240 T244 D245 A254 D257 T258 C261C42-F242 HydrophobicContact CB-CD1 4.07Å; C42-F242 WeakPolarHBondContact SG-CD1 3.44Å; W45-F242 HydrophobicContact CB-CE1 4.05Å; W45-F242 HydrophobicContact CB-CZ 4.33Å; W45-F242 HydrophobicContact CE3-CE1 4.44Å; K46-F242 HydrophobicContact CG-CE1 4.11Å; K46-F242 HydrophobicContact CG-CE2 4.39Å; K46-F242 HydrophobicContact CG-CZ 3.85Å; L238-F242 WeakPolarHBondContact O-CG 3.44Å; L238-F242 PolarHBondContact O-N 3.2Å; L238-F242 VanDerWaalsContact O-N 3.13Å; Y239-F242 PolarHBondContact O-N 2.87Å; Y240-F242 VanDerWaalsContact C-N 3.3Å; Y240-F242 PolarHBondContact O-N 3.43Å; F242-T244 VanDerWaalsContact C-N 3.27Å; F242-T244 PolarHBondContact O-N 2.92Å; F242-D245 WeakPolarHBondContact O-CB 3.26Å; F242-D245 PolarHBondContact O-N 3.44Å; F242-A254 HydrophobicContact CB-CB 3.89Å; F242-D257 HydrophobicContact CD2-CB 4.23Å; F242-T258 WeakPolarHBondContact CD2-OG1 3.34Å; F242-C261 HydrophobicContact CE2-CB 3.89Å; F242-C261 HydrophobicContact CZ-CB 4.19Å
243A97.3Very high96.6Very high14 Ų1437.5 Ų37.512%0.11619%0.194CC..Hα-helixtrans-74-17.5179.600000113.2F136 Y239 K251 A254F136-A243 HydrophobicContact CZ-CB 3.81Å; Y239-A243 HydrophobicContact CD1-CB 4.44Å; Y239-A243 HydrophobicContact CD2-CB 4.45Å; Y239-A243 HydrophobicContact CE1-CB 4.06Å; Y239-A243 HydrophobicContact CE2-CB 4.04Å; Y239-A243 WeakPolarHBondContact O-CB 3.47Å; Y239-A243 PolarHBondContact O-N 3.46Å; A243-K251 VanDerWaalsContact O-CD 3.27Å; A243-K251 WeakPolarHBondContact O-CD 3.45Å; A243-K251 WeakPolarHBondContact O-CG 3.27Å; A243-A254 HydrophobicContact CB-CB 4.06Å
244T95.9Very high96.7Very high60 Ų6036.2 Ų36.237%0.36819%0.188SC..THydrogen-bonded Turntrans-98.88.5175.159.70000114F136 Y240 F242F136-T244 HydrophobicContact CD2-CG2 4.21Å; F136-T244 HydrophobicContact CE2-CG2 3.65Å; F136-T244 HydrophobicContact CZ-CG2 4.17Å; Y240-T244 HydrophobicContact CD2-CG2 4.09Å; Y240-T244 HydrophobicContact CE1-CG2 4.35Å; Y240-T244 HydrophobicContact CE2-CG2 3.85Å; Y240-T244 HydrophobicContact CG-CG2 4.44Å; Y240-T244 WeakPolarHBondContact O-CB 3.35Å; Y240-T244 WeakPolarHBondContact O-CG2 3.17Å; Y240-T244 PolarHBondContact O-N 3.26Å; Y240-T244 PolarHBondContact O-OG1 2.88Å; F242-T244 VanDerWaalsContact C-N 3.27Å; F242-T244 PolarHBondContact O-N 2.92Å
245D95.8Very high96.7Very high8 Ų837.4 Ų37.44%0.04319%0.194CC..  trans-55138.9178.1-167.1-64.5000111.3C42 F242 N247 W250 K251C42-D245 WeakPolarHBondContact CB-OD2 3.13Å; C42-D245 PolarHBondContact SG-OD2 2.81Å; F242-D245 WeakPolarHBondContact O-CB 3.26Å; F242-D245 PolarHBondContact O-N 3.44Å; D245-N247 VanDerWaalsContact C-N 3.26Å; D245-N247 PolarHBondContact O-N 3.42Å; D245-N247 WeakPolarHBondContact OD1-CA 3.22Å; D245-N247 VanDerWaalsContact OD1-CB 3.29Å; D245-N247 WeakPolarHBondContact OD1-CB 3.26Å; D245-N247 PolarHBondContact OD1-N 3.47Å; D245-W250 HydrophobicContact CB-CB 4.21Å; D245-K251 HydrophobicContact CB-CG 3.92Å; D245-K251 WeakPolarHBondContact O-CD 3.47Å; D245-K251 WeakPolarHBondContact O-CE 3.18Å; D245-K251 WeakPolarHBondContact O-CG 3.44Å; D245-K251 PolarHBondContact O-NZ 2.99Å
246P95.1Very high96.7Very high78 Ų7837.8 Ų37.851%0.50620%0.197SC..SBendtrans-66.2-25.5177.324.5-33.5000113.8G39G39-P246 VanDerWaalsContact N-CG 3.25Å
247N94.6Very high96.7Very high69 Ų6937.8 Ų37.837%0.36920%0.197SC..SBendtrans-84.8121.4179.2-177.8-22000110.9D245 E249 W250 K251D245-N247 VanDerWaalsContact C-N 3.26Å; D245-N247 PolarHBondContact O-N 3.42Å; D245-N247 WeakPolarHBondContact OD1-CA 3.22Å; D245-N247 VanDerWaalsContact OD1-CB 3.29Å; D245-N247 WeakPolarHBondContact OD1-CB 3.26Å; D245-N247 PolarHBondContact OD1-N 3.47Å; N247-E249 VanDerWaalsContact C-N 3.34Å; N247-E249 PolarHBondContact O-N 3.29Å; N247-E249 WeakPolarHBondContact OD1-CB 3.32Å; N247-E249 PolarHBondContact OD1-N 2.95Å; N247-W250 HydrophobicContact CB-CB 4.38Å; N247-W250 HydrophobicContact CB-CG 4.46Å; N247-W250 PolarHBondContact O-N 2.75Å; N247-K251 PolarHBondContact O-N 2.66Å
248S94.6Very high96.8Very high68 Ų6837.7 Ų37.748%0.47620%0.196SC..Hα-helixtrans-59-38.4179.5-63.30000114Y143 W250 K251 E252Y143-S248 WeakPolarHBondContact OH-CB 3.39Å; Y143-S248 PolarHBondContact OH-O 2.87Å; S248-W250 VanDerWaalsContact C-N 3.29Å; S248-W250 PolarHBondContact O-N 3.11Å; S248-K251 PolarHBondContact O-N 3.46Å; S248-E252 PolarHBondContact O-N 2.92Å
249E93.6Very high96.8Very high119 Ų11937.9 Ų37.956%0.55620%0.197SC*.Hα-helixtrans-63.1-37.9178.6-172.1-171.7166.400111.2N247 H253N247-E249 VanDerWaalsContact C-N 3.34Å; N247-E249 PolarHBondContact O-N 3.29Å; N247-E249 WeakPolarHBondContact OD1-CB 3.32Å; N247-E249 PolarHBondContact OD1-N 2.95Å; E249-H253 PolarHBondContact O-CD2 3.36Å
250W95.4Very high96.8Very high46 Ų4638.6 Ų38.617%0.17420%0.2CC..Hα-helixtrans-73.4-37.7175.9-74118.3000112.4L43 K46 L52 L63 R67 D245 N247 S248 H253 A254L43-W250 HydrophobicContact CD1-CZ2 4.48Å; K46-W250 HydrophobicContact CD-CZ3 4.09Å; K46-W250 VanDerWaalsContact NZ-CZ3 3.27Å; L52-W250 HydrophobicContact CD1-CH2 4.27Å; L63-W250 HydrophobicContact CD1-CH2 3.57Å; L63-W250 HydrophobicContact CD1-CZ3 3.9Å; L63-W250 HydrophobicContact CD2-CH2 4.4Å; L63-W250 HydrophobicContact CD2-CZ3 4.05Å; R67-W250 VanDerWaalsContact NH2-CE3 3.33Å; R67-W250 VanDerWaalsContact NH2-CZ3 3.29Å; D245-W250 HydrophobicContact CB-CB 4.21Å; N247-W250 HydrophobicContact CB-CB 4.38Å; N247-W250 HydrophobicContact CB-CG 4.46Å; N247-W250 PolarHBondContact O-N 2.75Å; S248-W250 VanDerWaalsContact C-N 3.29Å; S248-W250 PolarHBondContact O-N 3.11Å; W250-H253 PolarHBondContact O-N 3Å; W250-A254 PolarHBondContact O-N 3.04Å
251K95.6Very high96.8Very high46 Ų4635.1 Ų35.120%0.219%0.187CC..Hα-helixtrans-63.9-41.4176.2-77.5-169.6-83.3-140.80113Y143 A243 D245 N247 S248 H253 A254Y143-K251 HydrophobicContact CD2-CB 4.15Å; Y143-K251 HydrophobicContact CE2-CB 3.54Å; A243-K251 VanDerWaalsContact O-CD 3.27Å; A243-K251 WeakPolarHBondContact O-CD 3.45Å; A243-K251 WeakPolarHBondContact O-CG 3.27Å; D245-K251 HydrophobicContact CB-CG 3.92Å; D245-K251 WeakPolarHBondContact O-CD 3.47Å; D245-K251 WeakPolarHBondContact O-CE 3.18Å; D245-K251 WeakPolarHBondContact O-CG 3.44Å; D245-K251 PolarHBondContact O-NZ 2.99Å; N247-K251 PolarHBondContact O-N 2.66Å; S248-K251 PolarHBondContact O-N 3.46Å; K251-H253 PolarHBondContact O-N 3.18Å; K251-A254 WeakPolarHBondContact O-CB 3.3Å; K251-A254 PolarHBondContact O-N 3.27Å
252E96.1Very high96.9Very high111 Ų11134.8 Ų34.852%0.51918%0.184SC..Hα-helixtrans-56.2-35179-177.3174.3178.700112.2Y143 S248Y143-E252 HydrophobicContact CD1-CB 3.69Å; Y143-E252 HydrophobicContact CD1-CG 3.7Å; Y143-E252 HydrophobicContact CE1-CB 3.6Å; Y143-E252 HydrophobicContact CE1-CG 3.93Å; Y143-E252 HydrophobicContact CG-CB 4.21Å; Y143-E252 HydrophobicContact CG-CG 4.42Å; S248-E252 PolarHBondContact O-N 2.92Å
253H97Very high96.9Very high54 Ų5436.5 Ų36.525%0.2520%0.195CC..THydrogen-bonded Turntrans-101.613.4-179.3-59.9-60.7000114.1R67 E249 W250 K251 E255 A256 D257R67-H253 HydrophobicContact CG-CB 4.42Å; R67-H253 VanDerWaalsContact CZ-CB 3.44Å; R67-H253 VanDerWaalsContact CZ-CG 3.42Å; R67-H253 VanDerWaalsContact NE-CB 3.29Å; R67-H253 PolarHBondContact NH1-CD2 2.79Å; R67-H253 PolarHBondContact NH1-NE2 3.28Å; E249-H253 PolarHBondContact O-CD2 3.36Å; W250-H253 PolarHBondContact O-N 3Å; K251-H253 PolarHBondContact O-N 3.18Å; H253-E255 PolarHBondContact O-N 3.22Å; H253-A256 PolarHBondContact O-N 3.03Å; H253-D257 WeakPolarHBondContact O-CB 3.29Å; H253-D257 PolarHBondContact O-N 3.35Å
254A98Very high96.9Very high2 Ų238.2 Ų38.22%0.01720%0.202CC..Hα-helixtrans-57.3-38-176.600000112.5Y239 F242 A243 W250 K251 T258Y239-A254 HydrophobicContact CE2-CB 4.49Å; F242-A254 HydrophobicContact CB-CB 3.89Å; A243-A254 HydrophobicContact CB-CB 4.06Å; W250-A254 PolarHBondContact O-N 3.04Å; K251-A254 WeakPolarHBondContact O-CB 3.3Å; K251-A254 PolarHBondContact O-N 3.27Å; A254-T258 WeakPolarHBondContact O-CB 3.47Å; A254-T258 PolarHBondContact O-N 3.13Å; A254-T258 PolarHBondContact O-OG1 2.96Å
255E97.9Very high96.9Very high25 Ų2535.4 Ų35.412%0.11719%0.185CC..Hα-helixtrans-61.3-55178.7-178.2-178.3160.300112.3Y70 V210 R213 I214 H253 T258 F259Y70-E255 HydrophobicContact CE1-CG 3.67Å; Y70-E255 VanDerWaalsContact CE1-OE1 3.29Å; Y70-E255 WeakPolarHBondContact CE1-OE1 3.49Å; Y70-E255 WeakPolarHBondContact OH-CG 3.33Å; Y70-E255 PolarHBondContact OH-OE1 3.08Å; V210-E255 HydrophobicContact CG1-CB 3.75Å; V210-E255 HydrophobicContact CG1-CG 3.55Å; R213-E255 IonicContact CZ-OE1 2.87Å; R213-E255 IonicContact CZ-OE2 2.82Å; R213-E255 IonicContact NE-OE1 3.91Å; R213-E255 PolarHBondContact NE-OE1 3.28Å; R213-E255 IonicContact NE-OE2 2.7Å; R213-E255 VanDerWaalsContact NH2-CD 3.3Å; R213-E255 IonicContact NH2-OE1 2.91Å; R213-E255 PolarHBondContact NH2-OE1 3.48Å; R213-E255 IonicContact NH2-OE2 3.15Å; R213-E255 PolarHBondContact NH2-OE2 3.46Å; I214-E255 HydrophobicContact CD1-CG 3.99Å; I214-E255 HydrophobicContact CG1-CG 3.8Å; H253-E255 PolarHBondContact O-N 3.22Å; E255-T258 WeakPolarHBondContact O-CB 3.45Å; E255-T258 PolarHBondContact O-N 2.66Å; E255-F259 PolarHBondContact O-N 3.17Å
256A98Very high96.9Very high8 Ų835 Ų357%0.06618%0.183CC..Hα-helixtrans-62.9-45.6-179.800000111.4R67 Y70 H253 T258 F259 F260R67-A256 HydrophobicContact CG-CB 4.17Å; Y70-A256 HydrophobicContact CD1-CB 3.65Å; Y70-A256 HydrophobicContact CE1-CB 4.39Å; Y70-A256 HydrophobicContact CG-CB 3.79Å; H253-A256 PolarHBondContact O-N 3.03Å; A256-T258 VanDerWaalsContact C-N 3.28Å; A256-T258 PolarHBondContact O-N 2.9Å; A256-F259 WeakPolarHBondContact O-CB 3.36Å; A256-F259 PolarHBondContact O-N 3.42Å; A256-F260 WeakPolarHBondContact O-CD2 3.29Å; A256-F260 PolarHBondContact O-N 3.11Å
257D98.5Very high96.8Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-63.6-36.2178.8-68.7-7.9000111K46 Y51 R67 F242 H253 C261K46-D257 IonicContact NZ-OD2 3.53Å; K46-D257 PolarHBondContact NZ-OD2 2.94Å; Y51-D257 HydrophobicContact CE1-CB 3.79Å; Y51-D257 WeakPolarHBondContact CE1-OD1 3.32Å; Y51-D257 PolarHBondContact OH-OD1 2.97Å; R67-D257 IonicContact CZ-OD1 3.9Å; R67-D257 IonicContact NE-OD1 3.84Å; R67-D257 PolarHBondContact NE-OD1 3.15Å; R67-D257 IonicContact NH2-OD1 3.32Å; R67-D257 IonicContact NH2-OD2 3.36Å; R67-D257 PolarHBondContact NH2-OD2 2.98Å; R67-D257 VanDerWaalsContact NH2-OD2 3.09Å; F242-D257 HydrophobicContact CD2-CB 4.23Å; H253-D257 WeakPolarHBondContact O-CB 3.29Å; H253-D257 PolarHBondContact O-N 3.35Å; D257-C261 WeakPolarHBondContact O-CB 3.29Å; D257-C261 PolarHBondContact O-N 2.97Å; D257-C261 VanDerWaalsContact O-N 3.15Å; D257-C261 PolarHBondContact O-SG 3.27Å; D257-C261 VanDerWaalsContact O-SG 3.41Å
258T98.8Very high96.8Very high0 Ų034.1 Ų34.10%018%0.18CC..Hα-helixtrans-63.5-45.9173.5-60.70000111I214 V235 L238 Y239 F242 A254 E255 A256 F260 C261 F262I214-T258 HydrophobicContact CD1-CG2 3.88Å; V235-T258 HydrophobicContact CG2-CG2 3.65Å; L238-T258 HydrophobicContact CB-CG2 4.03Å; Y239-T258 WeakPolarHBondContact CA-OG1 3.26Å; Y239-T258 HydrophobicContact CD2-CG2 4.49Å; F242-T258 WeakPolarHBondContact CD2-OG1 3.34Å; A254-T258 WeakPolarHBondContact O-CB 3.47Å; A254-T258 PolarHBondContact O-N 3.13Å; A254-T258 PolarHBondContact O-OG1 2.96Å; E255-T258 WeakPolarHBondContact O-CB 3.45Å; E255-T258 PolarHBondContact O-N 2.66Å; A256-T258 VanDerWaalsContact C-N 3.28Å; A256-T258 PolarHBondContact O-N 2.9Å; T258-F260 VanDerWaalsContact C-N 3.33Å; T258-F260 PolarHBondContact O-N 3.15Å; T258-C261 PolarHBondContact O-N 3.34Å; T258-F262 WeakPolarHBondContact O-CB 3.48Å; T258-F262 PolarHBondContact O-N 3.12Å
259F98.7Very high96.6Very high4 Ų430.9 Ų30.92%0.01816%0.157CC..Hα-helixtrans-56.4-45.5-178.6171.1-94.1000112.3Y70 F73 I214 I217 L221 E255 A256 T263Y70-F259 HydrophobicContact CD2-CB 3.76Å; Y70-F259 AromaticContact CD2-CD1 3.6Å; Y70-F259 HydrophobicContact CD2-CD1 3.6Å; Y70-F259 HydrophobicContact CD2-CD2 4.28Å; Y70-F259 HydrophobicContact CD2-CE1 4.32Å; Y70-F259 AromaticContact CD2-CG 3.59Å; Y70-F259 HydrophobicContact CD2-CG 3.59Å; Y70-F259 HydrophobicContact CE2-CB 3.42Å; Y70-F259 VanDerWaalsContact CE2-CB 3.42Å; Y70-F259 AromaticContact CE2-CD1 3.91Å; Y70-F259 HydrophobicContact CE2-CD1 3.91Å; Y70-F259 AromaticContact CE2-CD2 3.74Å; Y70-F259 HydrophobicContact CE2-CD2 3.74Å; Y70-F259 AromaticContact CE2-CG 3.39Å; Y70-F259 HydrophobicContact CE2-CG 3.39Å; F73-F259 HydrophobicContact CD2-CE1 4.15Å; F73-F259 HydrophobicContact CD2-CZ 4.33Å; F73-F259 AromaticContact CE2-CE1 3.9Å; F73-F259 HydrophobicContact CE2-CE1 3.9Å; F73-F259 HydrophobicContact CE2-CZ 4.24Å; I214-F259 HydrophobicContact CG2-CB 4.16Å; I214-F259 HydrophobicContact CG2-CD2 4.2Å; I217-F259 HydrophobicContact CB-CE2 4.24Å; I217-F259 HydrophobicContact CG2-CD2 4.29Å; I217-F259 HydrophobicContact CG2-CE2 3.66Å; I217-F259 HydrophobicContact CG2-CZ 4.07Å; L221-F259 HydrophobicContact CD1-CE1 4.48Å; L221-F259 HydrophobicContact CD1-CE2 4.26Å; L221-F259 HydrophobicContact CD1-CZ 3.57Å; E255-F259 PolarHBondContact O-N 3.17Å; A256-F259 WeakPolarHBondContact O-CB 3.36Å; A256-F259 PolarHBondContact O-N 3.42Å; F259-T263 WeakPolarHBondContact O-CB 3.07Å; F259-T263 PolarHBondContact O-N 3.13Å; F259-T263 PolarHBondContact O-OG1 3.31Å
260F98.5Very high96.2Very high18 Ų1830.5 Ų30.58%0.07915%0.151CC..Hα-helixtrans-73.4-42.2-179.5-68.8-70.1000112.8Y51 Q66 L69 A256 T258 F262 T263 N264Y51-F260 HydrophobicContact CD2-CB 3.52Å; Y51-F260 HydrophobicContact CD2-CG 4.3Å; Y51-F260 HydrophobicContact CE2-CB 3.48Å; Y51-F260 VanDerWaalsContact CE2-CB 3.48Å; Y51-F260 AromaticContact CE2-CD2 3.85Å; Y51-F260 HydrophobicContact CE2-CD2 3.85Å; Y51-F260 AromaticContact CE2-CG 3.85Å; Y51-F260 HydrophobicContact CE2-CG 3.85Å; Y51-F260 HydrophobicContact CG-CB 4.37Å; Q66-F260 HydrophobicContact CB-CD2 3.92Å; Q66-F260 HydrophobicContact CB-CE2 3.64Å; Q66-F260 HydrophobicContact CB-CZ 4.07Å; Q66-F260 HydrophobicContact CG-CE2 4.49Å; Q66-F260 WeakPolarHBondContact O-CE2 3.47Å; Q66-F260 WeakPolarHBondContact O-CZ 3.45Å; L69-F260 HydrophobicContact CB-CZ 4.44Å; L69-F260 HydrophobicContact CD2-CE1 4.24Å; L69-F260 HydrophobicContact CD2-CZ 4.17Å; L69-F260 HydrophobicContact CG-CZ 4.4Å; A256-F260 WeakPolarHBondContact O-CD2 3.29Å; A256-F260 PolarHBondContact O-N 3.11Å; T258-F260 VanDerWaalsContact C-N 3.33Å; T258-F260 PolarHBondContact O-N 3.15Å; F260-F262 VanDerWaalsContact C-N 3.31Å; F260-F262 PolarHBondContact O-N 3.38Å; F260-T263 PolarHBondContact O-N 3.34Å; F260-N264 PolarHBondContact O-N 3.12Å
261C98.6Very high95.7Very high0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-59.6-43.3173.1-75.20000111.8L49 Y51 L238 F242 D257 T258 N264 L265L49-C261 HydrophobicContact CD1-CB 3.97Å; Y51-C261 VanDerWaalsContact CB-SG 3.51Å; L238-C261 HydrophobicContact CD1-CB 4.48Å; F242-C261 HydrophobicContact CE2-CB 3.89Å; F242-C261 HydrophobicContact CZ-CB 4.19Å; D257-C261 WeakPolarHBondContact O-CB 3.29Å; D257-C261 PolarHBondContact O-N 2.97Å; D257-C261 VanDerWaalsContact O-N 3.15Å; D257-C261 PolarHBondContact O-SG 3.27Å; D257-C261 VanDerWaalsContact O-SG 3.41Å; T258-C261 PolarHBondContact O-N 3.34Å; C261-N264 PolarHBondContact O-N 3.23Å; C261-L265 WeakPolarHBondContact O-CB 3.46Å; C261-L265 PolarHBondContact O-N 3.1Å
262F98.5Very high95.1Very high0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-62.9-44.3175.7177-109.3000111.5L215 Y218 M231 I234 V235 L238 T258 F260 N264 L265 M266L215-F262 HydrophobicContact CD2-CE1 4.07Å; L215-F262 HydrophobicContact CD2-CZ 3.91Å; Y218-F262 HydrophobicContact CD1-CE1 4.06Å; Y218-F262 AromaticContact CD2-CD1 3.92Å; Y218-F262 HydrophobicContact CD2-CD1 3.92Å; Y218-F262 AromaticContact CD2-CE1 3.75Å; Y218-F262 HydrophobicContact CD2-CE1 3.75Å; Y218-F262 HydrophobicContact CE1-CE1 4.47Å; Y218-F262 HydrophobicContact CE2-CD1 4.44Å; Y218-F262 HydrophobicContact CE2-CE1 4.17Å; Y218-F262 HydrophobicContact CG-CD1 4.2Å; Y218-F262 AromaticContact CG-CE1 3.7Å; Y218-F262 HydrophobicContact CG-CE1 3.7Å; M231-F262 HydrophobicContact CB-CZ 4.29Å; M231-F262 HydrophobicContact CE-CE1 3.97Å; M231-F262 HydrophobicContact CE-CZ 3.66Å; I234-F262 HydrophobicContact CB-CE2 4.07Å; I234-F262 HydrophobicContact CG2-CD2 4.05Å; I234-F262 HydrophobicContact CG2-CE2 3.82Å; V235-F262 HydrophobicContact CB-CD2 3.75Å; V235-F262 HydrophobicContact CB-CE2 3.89Å; V235-F262 HydrophobicContact CB-CG 4.2Å; V235-F262 HydrophobicContact CB-CZ 4.44Å; V235-F262 HydrophobicContact CG2-CB 4.4Å; V235-F262 HydrophobicContact CG2-CD2 4.19Å; V235-F262 HydrophobicContact CG2-CG 4.16Å; L238-F262 HydrophobicContact CD1-CB 3.92Å; L238-F262 HydrophobicContact CD1-CD2 4.3Å; T258-F262 WeakPolarHBondContact O-CB 3.48Å; T258-F262 PolarHBondContact O-N 3.12Å; F260-F262 VanDerWaalsContact C-N 3.31Å; F260-F262 PolarHBondContact O-N 3.38Å; F262-N264 PolarHBondContact O-N 3.25Å; F262-L265 PolarHBondContact O-N 3.12Å; F262-M266 HydrophobicContact CD1-CG 4.15Å; F262-M266 HydrophobicContact CD2-CG 4.04Å; F262-M266 HydrophobicContact CE1-CG 3.71Å; F262-M266 HydrophobicContact CE2-CG 3.59Å; F262-M266 HydrophobicContact CE2-SD 3.81Å; F262-M266 HydrophobicContact CG-CG 4.3Å; F262-M266 HydrophobicContact CZ-CG 3.42Å; F262-M266 VanDerWaalsContact CZ-CG 3.42Å; F262-M266 HydrophobicContact CZ-SD 3.78Å; F262-M266 WeakPolarHBondContact O-CB 3.29Å; F262-M266 VanDerWaalsContact O-CG 3.29Å; F262-M266 WeakPolarHBondContact O-CG 3.25Å; F262-M266 PolarHBondContact O-N 3.07Å
263T97.9Very high94.4Very high36 Ų3624.7 Ų24.722%0.22113%0.127CC..Hα-helixtrans-62.1-42.6178-60.30000111.7Y218 F259 F260 M266 A267Y218-T263 HydrophobicContact CE2-CG2 4.38Å; F259-T263 WeakPolarHBondContact O-CB 3.07Å; F259-T263 PolarHBondContact O-N 3.13Å; F259-T263 PolarHBondContact O-OG1 3.31Å; F260-T263 PolarHBondContact O-N 3.34Å; T263-M266 PolarHBondContact O-N 2.85Å; T263-A267 PolarHBondContact O-N 3.22Å
264N97.4Very high93.5Very high51 Ų5124.2 Ų24.227%0.27313%0.126SC..Hα-helixtrans-62.4-47175.5-73-3.9000111.4L49 N50 F260 C261 F262 M266 A267L49-N264 WeakPolarHBondContact O-CB 3.39Å; L49-N264 PolarHBondContact O-ND2 3.13Å; N50-N264 PolarHBondContact O-ND2 3.37Å; N50-N264 VanDerWaalsContact O-ND2 3.17Å; F260-N264 PolarHBondContact O-N 3.12Å; C261-N264 PolarHBondContact O-N 3.23Å; F262-N264 PolarHBondContact O-N 3.25Å; N264-M266 PolarHBondContact O-N 3.42Å; N264-A267 WeakPolarHBondContact O-CB 3.39Å; N264-A267 PolarHBondContact O-N 3.22Å
265L97Very high92.5Very high0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-60.9-46177.1-18058.2000111.3L49 I234 L238 C261 F262 A267 E268 I269 L324 F342 F348L49-L265 HydrophobicContact CD2-CB 4.38Å; L49-L265 HydrophobicContact CD2-CD1 4.36Å; I234-L265 HydrophobicContact CG2-CD2 3.68Å; L238-L265 HydrophobicContact CD1-CD2 4.4Å; C261-L265 WeakPolarHBondContact O-CB 3.46Å; C261-L265 PolarHBondContact O-N 3.1Å; F262-L265 PolarHBondContact O-N 3.12Å; L265-A267 VanDerWaalsContact C-N 3.27Å; L265-A267 PolarHBondContact O-N 3.36Å; L265-E268 WeakPolarHBondContact O-CB 3.25Å; L265-E268 PolarHBondContact O-N 3.49Å; L265-I269 HydrophobicContact CD1-CG2 4.42Å; L265-I269 HydrophobicContact CG-CD1 4.16Å; L265-I269 WeakPolarHBondContact O-CG1 3.36Å; L265-I269 PolarHBondContact O-N 3.32Å; L265-I269 VanDerWaalsContact O-N 3.13Å; L265-L324 HydrophobicContact CD1-CD1 4.3Å; L265-L324 HydrophobicContact CD2-CD1 4.09Å; L265-F342 HydrophobicContact CD1-CE1 4.16Å; L265-F342 HydrophobicContact CD2-CE1 4.3Å; L265-F342 HydrophobicContact CD2-CZ 4.19Å; L265-F348 HydrophobicContact CD1-CZ 4.39Å
266M95.2Very high91.6Very high0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-62.1-33.3177.3-73.9-58-5800112.4Y218 M231 I234 F262 T263 N264 E268 I269 R270 F273Y218-M266 HydrophobicContact CE2-CB 3.82Å; Y218-M266 HydrophobicContact CE2-CG 4.05Å; Y218-M266 VanDerWaalsContact OH-CB 3.29Å; Y218-M266 WeakPolarHBondContact OH-CB 3.21Å; M231-M266 HydrophobicContact CE-CE 3.94Å; M231-M266 HydrophobicContact CE-SD 4.44Å; M231-M266 HydrophobicContact CG-CE 4.19Å; M231-M266 HydrophobicContact SD-CE 4.15Å; I234-M266 HydrophobicContact CD1-SD 4.41Å; F262-M266 HydrophobicContact CD1-CG 4.15Å; F262-M266 HydrophobicContact CD2-CG 4.04Å; F262-M266 HydrophobicContact CE1-CG 3.71Å; F262-M266 HydrophobicContact CE2-CG 3.59Å; F262-M266 HydrophobicContact CE2-SD 3.81Å; F262-M266 HydrophobicContact CG-CG 4.3Å; F262-M266 HydrophobicContact CZ-CG 3.42Å; F262-M266 VanDerWaalsContact CZ-CG 3.42Å; F262-M266 HydrophobicContact CZ-SD 3.78Å; F262-M266 WeakPolarHBondContact O-CB 3.29Å; F262-M266 VanDerWaalsContact O-CG 3.29Å; F262-M266 WeakPolarHBondContact O-CG 3.25Å; F262-M266 PolarHBondContact O-N 3.07Å; T263-M266 PolarHBondContact O-N 2.85Å; N264-M266 PolarHBondContact O-N 3.42Å; M266-E268 PolarHBondContact O-N 3Å; M266-I269 PolarHBondContact O-N 3.46Å; M266-I269 HydrophobicContact SD-CD1 3.89Å; M266-I269 HydrophobicContact SD-CG1 3.93Å; M266-R270 WeakPolarHBondContact O-CA 3.47Å; M266-R270 WeakPolarHBondContact O-CB 3.06Å; M266-R270 WeakPolarHBondContact O-CG 3.46Å; M266-R270 PolarHBondContact O-N 3.03Å; M266-F273 HydrophobicContact CE-CD2 3.83Å; M266-F273 HydrophobicContact CE-CE2 3.8Å; M266-F273 HydrophobicContact SD-CE2 4.27Å
267A93.9Very high90.5Very high58 Ų5838.4 Ų38.448%0.47920%0.201SC..Hα-helixtrans-59.4-29.9174.400000112.5T263 N264 L265T263-A267 PolarHBondContact O-N 3.22Å; N264-A267 WeakPolarHBondContact O-CB 3.39Å; N264-A267 PolarHBondContact O-N 3.22Å; L265-A267 VanDerWaalsContact C-N 3.27Å; L265-A267 PolarHBondContact O-N 3.36Å
268E92.9Very high89.6Confident71 Ų7140.2 Ų40.233%0.33221%0.211SC..Hα-helixtrans-85.9-33178-61174.8-121.400113.2L265 M266 R347 F348L265-E268 WeakPolarHBondContact O-CB 3.25Å; L265-E268 PolarHBondContact O-N 3.49Å; M266-E268 PolarHBondContact O-N 3Å; E268-R347 IonicContact OE1-NH1 2.86Å; E268-R347 PolarHBondContact OE1-NH1 2.75Å; E268-R347 IonicContact OE2-CZ 3.01Å; E268-R347 IonicContact OE2-NH1 2.81Å; E268-R347 PolarHBondContact OE2-NH1 3.4Å; E268-F348 HydrophobicContact CB-CE2 3.67Å; E268-F348 HydrophobicContact CB-CZ 3.78Å; E268-F348 HydrophobicContact CG-CE2 4.47Å; E268-F348 WeakPolarHBondContact OE2-CE2 3.09Å
269I91.1Very high88.5Confident0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-106.9-6.5-174.367.2177.4000115.3I234 L265 M266 D271 N272 F273 L324 F348I234-I269 HydrophobicContact CD1-CD1 3.74Å; I234-I269 HydrophobicContact CG2-CD1 4.44Å; L265-I269 HydrophobicContact CD1-CG2 4.42Å; L265-I269 HydrophobicContact CG-CD1 4.16Å; L265-I269 WeakPolarHBondContact O-CG1 3.36Å; L265-I269 PolarHBondContact O-N 3.32Å; L265-I269 VanDerWaalsContact O-N 3.13Å; M266-I269 PolarHBondContact O-N 3.46Å; M266-I269 HydrophobicContact SD-CD1 3.89Å; M266-I269 HydrophobicContact SD-CG1 3.93Å; I269-D271 PolarHBondContact O-N 3.43Å; I269-D271 VanDerWaalsContact O-N 3.08Å; I269-N272 WeakPolarHBondContact O-CB 3.38Å; I269-N272 PolarHBondContact O-N 2.98Å; I269-F273 HydrophobicContact CD1-CE2 4.2Å; I269-F273 HydrophobicContact CG1-CE2 4.21Å; I269-L324 HydrophobicContact CD1-CD1 4.38Å; I269-F348 HydrophobicContact CG2-CD1 4.02Å; I269-F348 HydrophobicContact CG2-CE1 3.14Å; I269-F348 HydrophobicContact CG2-CE2 4.25Å; I269-F348 HydrophobicContact CG2-CZ 3.29Å
270R84.9Confident87.4Confident111 Ų11148.8 Ų48.842%0.41926%0.26SS..G310 helixtrans-54.5-32-17458.6-177.4-168.8-169.5-1.6114.4I225 M266 N272 F273I225-R270 HydrophobicContact CD1-CB 3.57Å; I225-R270 HydrophobicContact CD1-CG 4.19Å; M266-R270 WeakPolarHBondContact O-CA 3.47Å; M266-R270 WeakPolarHBondContact O-CB 3.06Å; M266-R270 WeakPolarHBondContact O-CG 3.46Å; M266-R270 PolarHBondContact O-N 3.03Å; R270-N272 PolarHBondContact O-N 3.24Å; R270-F273 WeakPolarHBondContact O-CB 3.5Å; R270-F273 PolarHBondContact O-N 2.98Å
271D85.3Confident86.1Confident47 Ų4755.8 Ų55.825%0.25129%0.293SS..G310 helixtrans-61.8-26.1-179.5-68.23.4000111.4I269 F273 I274 L277 C282I269-D271 PolarHBondContact O-N 3.43Å; I269-D271 VanDerWaalsContact O-N 3.08Å; D271-F273 PolarHBondContact O-N 3.04Å; D271-I274 PolarHBondContact O-N 3.1Å; D271-L277 HydrophobicContact CB-CD1 3.95Å; D271-C282 PolarHBondContact OD2-SG 3.37Å
272N83.7Confident84.8Confident5 Ų558.3 Ų58.33%0.02731%0.31CS..G310 helixtrans-66.4-18.4174.4-62.8-19.7000113.5I269 R270 K287 T322I269-N272 WeakPolarHBondContact O-CB 3.38Å; I269-N272 PolarHBondContact O-N 2.98Å; R270-N272 PolarHBondContact O-N 3.24Å; N272-K287 PolarHBondContact OD1-NZ 2.97Å; N272-T322 HydrophobicContact CB-CG2 4.3Å
273F80.5Confident83.9Confident28 Ų2858.3 Ų58.312%0.12331%0.31CS..G310 helixtrans-100.8-8.4-178-65.1-84.8000112.8I225 V228 M231 I234 M266 I269 R270 D271 K275I225-F273 HydrophobicContact CG2-CB 4.47Å; V228-F273 HydrophobicContact CB-CB 4.49Å; V228-F273 HydrophobicContact CB-CD1 3.82Å; V228-F273 HydrophobicContact CG1-CD1 3.76Å; V228-F273 HydrophobicContact CG2-CB 4.22Å; V228-F273 HydrophobicContact CG2-CD1 4.45Å; M231-F273 HydrophobicContact CG-CE1 4.12Å; M231-F273 HydrophobicContact CG-CZ 4.3Å; I234-F273 HydrophobicContact CD1-CE2 4.15Å; I234-F273 HydrophobicContact CD1-CZ 3.6Å; M266-F273 HydrophobicContact CE-CD2 3.83Å; M266-F273 HydrophobicContact CE-CE2 3.8Å; M266-F273 HydrophobicContact SD-CE2 4.27Å; I269-F273 HydrophobicContact CD1-CE2 4.2Å; I269-F273 HydrophobicContact CG1-CE2 4.21Å; R270-F273 WeakPolarHBondContact O-CB 3.5Å; R270-F273 PolarHBondContact O-N 2.98Å; D271-F273 PolarHBondContact O-N 3.04Å; F273-K275 PolarHBondContact O-N 2.97Å
274I78.8Confident83.3Confident44 Ų4456.7 Ų56.723%0.22630%0.3CS..  trans-94.8103-176.7-60.1172.4000108.6I225 D271 S276 L277I225-I274 HydrophobicContact CD1-CD1 4.27Å; I225-I274 HydrophobicContact CG1-CD1 4.04Å; I225-I274 HydrophobicContact CG1-CG1 3.96Å; D271-I274 PolarHBondContact O-N 3.1Å; I274-S276 VanDerWaalsContact CG2-OG 3.26Å; I274-S276 WeakPolarHBondContact CG2-OG 3.5Å; I274-S276 PolarHBondContact O-N 3.25Å; I274-L277 HydrophobicContact CB-CB 4.34Å; I274-L277 HydrophobicContact CB-CD1 3.95Å; I274-L277 HydrophobicContact CB-CG 4.09Å; I274-L277 HydrophobicContact CD1-CD1 3.93Å; I274-L277 HydrophobicContact CG2-CB 4.38Å; I274-L277 HydrophobicContact CG2-CD1 4.05Å; I274-L277 HydrophobicContact CG2-CG 3.82Å; I274-L277 WeakPolarHBondContact O-CA 3.38Å; I274-L277 WeakPolarHBondContact O-CB 3.46Å; I274-L277 PolarHBondContact O-N 2.9Å
275K76.5Confident82.9Confident176 Ų17656.4 Ų56.477%0.76530%0.3SS*.G310 helixtrans-52.6-34.4-178.3-169.1176.9-177177.40114.3F273 L277 D278F273-K275 PolarHBondContact O-N 2.97Å; K275-L277 PolarHBondContact O-N 3.42Å; K275-D278 WeakPolarHBondContact O-CB 3.34Å; K275-D278 VanDerWaalsContact O-CG 3.25Å; K275-D278 PolarHBondContact O-N 2.93Å
276S77.8Confident82.4Confident108 Ų10861.8 Ų61.876%0.75532%0.321SS*.G310 helixtrans-70-13177.958.80000113.8I274I274-S276 VanDerWaalsContact CG2-OG 3.26Å; I274-S276 WeakPolarHBondContact CG2-OG 3.5Å; I274-S276 PolarHBondContact O-N 3.25Å
277L75.9Confident82.3Confident50 Ų5063.6 Ų63.626%0.26233%0.329SS..G310 helixtrans-99.6-3176.8-62.4-179.2000112.6D271 I274 K275 D279 S280 G283D271-L277 HydrophobicContact CB-CD1 3.95Å; I274-L277 HydrophobicContact CB-CB 4.34Å; I274-L277 HydrophobicContact CB-CD1 3.95Å; I274-L277 HydrophobicContact CB-CG 4.09Å; I274-L277 HydrophobicContact CD1-CD1 3.93Å; I274-L277 HydrophobicContact CG2-CB 4.38Å; I274-L277 HydrophobicContact CG2-CD1 4.05Å; I274-L277 HydrophobicContact CG2-CG 3.82Å; I274-L277 WeakPolarHBondContact O-CA 3.38Å; I274-L277 WeakPolarHBondContact O-CB 3.46Å; I274-L277 PolarHBondContact O-N 2.9Å; K275-L277 PolarHBondContact O-N 3.42Å; L277-D279 VanDerWaalsContact C-N 3.26Å; L277-D279 PolarHBondContact O-N 2.73Å; L277-D279 VanDerWaalsContact O-N 3.15Å; L277-S280 VanDerWaalsContact O-CB 3.25Å; L277-S280 WeakPolarHBondContact O-CB 3.4Å; L277-S280 PolarHBondContact O-N 3.26Å; L277-S280 PolarHBondContact O-OG 2.91Å; L277-G283 WeakPolarHBondContact O-CA 3.4Å
278D79Confident82.3Confident38 Ų3861.2 Ų61.220%0.20331%0.308CS..THydrogen-bonded Turntrans-51.8-44.2-173.4-72.5-10.2000112.5K275 S280 I284 T285K275-D278 WeakPolarHBondContact O-CB 3.34Å; K275-D278 VanDerWaalsContact O-CG 3.25Å; K275-D278 PolarHBondContact O-N 2.93Å; D278-S280 VanDerWaalsContact C-N 3.34Å; D278-I284 HydrophobicContact CB-CG2 4.27Å; D278-I284 WeakPolarHBondContact OD1-CG2 3.49Å; D278-T285 WeakPolarHBondContact O-CB 3.33Å; D278-T285 PolarHBondContact O-N 2.88Å; D278-T285 VanDerWaalsContact O-N 3.1Å; D278-T285 PolarHBondContact O-OG1 3.37Å; D278-T285 VanDerWaalsContact O-OG1 3.12Å
279D75.9Confident82.3Confident148 Ų14862.2 Ų62.279%0.79131%0.312SS*.THydrogen-bonded Turntrans-87.92.9-178.3-60.9-38.3000114.2L277L277-D279 VanDerWaalsContact C-N 3.26Å; L277-D279 PolarHBondContact O-N 2.73Å; L277-D279 VanDerWaalsContact O-N 3.15Å
280S76.1Confident82.4Confident35 Ų3566.2 Ų66.225%0.24533%0.33CS..SBendtrans-81167.2177.2780000111.9L277 D278 C282 G283 Y286L277-S280 VanDerWaalsContact O-CB 3.25Å; L277-S280 WeakPolarHBondContact O-CB 3.4Å; L277-S280 PolarHBondContact O-N 3.26Å; L277-S280 PolarHBondContact O-OG 2.91Å; D278-S280 VanDerWaalsContact C-N 3.34Å; S280-C282 PolarHBondContact O-N 3.48Å; S280-C282 PolarHBondContact OG-N 3.26Å; S280-C282 PolarHBondContact OG-SG 3.28Å; S280-G283 WeakPolarHBondContact O-CA 3.34Å; S280-G283 PolarHBondContact O-N 3.07Å; S280-G283 PolarHBondContact OG-N 3.26Å; S280-G283 VanDerWaalsContact OG-N 3.11Å; S280-Y286 VanDerWaalsContact O-CB 3.3Å; S280-Y286 WeakPolarHBondContact O-CB 3.48Å
281Q70.4Confident83Confident165 Ų16561 Ų6177%0.77131%0.31SS*.THydrogen-bonded Turntrans-66.2-24.2177.1-69-175.2-12.200113.7Y286Q281-Y286 WeakPolarHBondContact O-CD1 3.26Å
282C72.5Confident83.5Confident54 Ų5458.9 Ų58.937%0.36530%0.299SS..THydrogen-bonded Turntrans-91.2-6.5170.9600000112.8D271 S280 K287D271-C282 PolarHBondContact OD2-SG 3.37Å; S280-C282 PolarHBondContact O-N 3.48Å; S280-C282 PolarHBondContact OG-N 3.26Å; S280-C282 PolarHBondContact OG-SG 3.28Å; C282-K287 WeakPolarHBondContact O-CE 3.15Å
283G78.7Confident84Confident0 Ų061 Ų610%031%0.314CS..SBendtrans-69.5160.7-175.400000114.4L277 S280 T285 Y286 K287L277-G283 WeakPolarHBondContact O-CA 3.4Å; S280-G283 WeakPolarHBondContact O-CA 3.34Å; S280-G283 PolarHBondContact O-N 3.07Å; S280-G283 PolarHBondContact OG-N 3.26Å; S280-G283 VanDerWaalsContact OG-N 3.11Å; G283-T285 VanDerWaalsContact C-N 3.31Å; G283-T285 PolarHBondContact O-N 2.82Å; G283-Y286 PolarHBondContact O-N 3.41Å; G283-K287 PolarHBondContact O-N 2.8Å
284I86.6Confident84.8Confident2 Ų260.6 Ų60.61%0.0131%0.314CS..Hα-helixtrans-64.8-34.9179.9-166.959.4000112.2D278 Y286 K287 M288 F318 L321 T322D278-I284 HydrophobicContact CB-CG2 4.27Å; D278-I284 WeakPolarHBondContact OD1-CG2 3.49Å; I284-Y286 PolarHBondContact O-N 2.85Å; I284-K287 PolarHBondContact O-N 3.02Å; I284-M288 HydrophobicContact CG1-CE 4.27Å; I284-M288 HydrophobicContact CG1-CG 4.47Å; I284-M288 HydrophobicContact CG1-SD 4.49Å; I284-M288 HydrophobicContact CG2-CE 4.4Å; I284-M288 WeakPolarHBondContact O-CB 3.44Å; I284-M288 VanDerWaalsContact O-CG 3.29Å; I284-M288 WeakPolarHBondContact O-CG 3.28Å; I284-M288 PolarHBondContact O-N 3.16Å; I284-F318 HydrophobicContact CG1-CD2 3.65Å; I284-F318 HydrophobicContact CG1-CE2 3.97Å; I284-F318 HydrophobicContact CG2-CD2 4.14Å; I284-F318 HydrophobicContact CG2-CE2 3.98Å; I284-L321 HydrophobicContact CD1-CB 3.75Å; I284-L321 HydrophobicContact CD1-CD1 4.33Å; I284-T322 HydrophobicContact CD1-CG2 3.62Å; I284-T322 HydrophobicContact CG1-CG2 3.77Å
285T87.4Confident85.6Confident44 Ų4458.5 Ų58.527%0.2730%0.303SS..Hα-helixtrans-62.1-45.7177.5-54.10000110.7D278 G283 K287 M288 E289D278-T285 WeakPolarHBondContact O-CB 3.33Å; D278-T285 PolarHBondContact O-N 2.88Å; D278-T285 VanDerWaalsContact O-N 3.1Å; D278-T285 PolarHBondContact O-OG1 3.37Å; D278-T285 VanDerWaalsContact O-OG1 3.12Å; G283-T285 VanDerWaalsContact C-N 3.31Å; G283-T285 PolarHBondContact O-N 2.82Å; T285-K287 PolarHBondContact O-N 3.44Å; T285-M288 PolarHBondContact O-N 3.28Å; T285-E289 WeakPolarHBondContact O-CG 3.38Å; T285-E289 PolarHBondContact O-N 3.33Å
286Y88Confident86.6Confident114 Ų11455 Ų5545%0.44729%0.288SS..Hα-helixtrans-60.5-45.1176.4178.5-95.4000112.1S280 Q281 G283 I284 M288 E289 K290S280-Y286 VanDerWaalsContact O-CB 3.3Å; S280-Y286 WeakPolarHBondContact O-CB 3.48Å; Q281-Y286 WeakPolarHBondContact O-CD1 3.26Å; G283-Y286 PolarHBondContact O-N 3.41Å; I284-Y286 PolarHBondContact O-N 2.85Å; Y286-M288 VanDerWaalsContact C-N 3.34Å; Y286-M288 PolarHBondContact O-N 3.31Å; Y286-E289 PolarHBondContact O-N 3.2Å; Y286-K290 WeakPolarHBondContact O-CB 3.35Å; Y286-K290 PolarHBondContact O-N 2.78Å
287K91.8Very high87.5Confident37 Ų3755.7 Ų55.716%0.16128%0.283CS..Hα-helixtrans-61.7-41.3178.2-68.7179.2-177.8176.20112N272 C282 G283 I284 T285 K290 V291 L321 L352N272-K287 PolarHBondContact OD1-NZ 2.97Å; C282-K287 WeakPolarHBondContact O-CE 3.15Å; G283-K287 PolarHBondContact O-N 2.8Å; I284-K287 PolarHBondContact O-N 3.02Å; T285-K287 PolarHBondContact O-N 3.44Å; K287-K290 WeakPolarHBondContact O-CB 3.37Å; K287-K290 PolarHBondContact O-N 2.87Å; K287-V291 PolarHBondContact O-N 3.22Å; K287-L321 HydrophobicContact CB-CD1 3.97Å; K287-L352 HydrophobicContact CB-CD2 4.11Å
288M93.9Very high88.4Confident9 Ų956.9 Ų56.94%0.04429%0.286CS..Hα-helixtrans-63.2-46.1175.3-73.6-172.6-63.800112.4I284 T285 Y286 K290 V291 Y292 P313 Q314 A317 F318 L321I284-M288 HydrophobicContact CG1-CE 4.27Å; I284-M288 HydrophobicContact CG1-CG 4.47Å; I284-M288 HydrophobicContact CG1-SD 4.49Å; I284-M288 HydrophobicContact CG2-CE 4.4Å; I284-M288 WeakPolarHBondContact O-CB 3.44Å; I284-M288 VanDerWaalsContact O-CG 3.29Å; I284-M288 WeakPolarHBondContact O-CG 3.28Å; I284-M288 PolarHBondContact O-N 3.16Å; T285-M288 PolarHBondContact O-N 3.28Å; Y286-M288 VanDerWaalsContact C-N 3.34Å; Y286-M288 PolarHBondContact O-N 3.31Å; M288-K290 PolarHBondContact O-N 3.1Å; M288-V291 WeakPolarHBondContact O-CB 3.47Å; M288-V291 PolarHBondContact O-N 3.27Å; M288-V291 VanDerWaalsContact O-N 3.17Å; M288-Y292 PolarHBondContact O-N 3.11Å; M288-P313 HydrophobicContact CB-CB 4.1Å; M288-P313 HydrophobicContact CB-CG 4.25Å; M288-Q314 HydrophobicContact CE-CB 4.22Å; M288-Q314 VanDerWaalsContact SD-CA 3.57Å; M288-Q314 HydrophobicContact SD-CB 4.23Å; M288-A317 HydrophobicContact CG-CB 3.96Å; M288-A317 HydrophobicContact SD-CB 4.43Å; M288-F318 HydrophobicContact CE-CD2 4.4Å; M288-F318 WeakPolarHBondContact SD-CA 3.38Å; M288-F318 HydrophobicContact SD-CB 3.62Å; M288-F318 HydrophobicContact SD-CD2 4.41Å; M288-F318 PolarHBondContact SD-N 3.43Å; M288-F318 VanDerWaalsContact SD-N 3.36Å; M288-L321 HydrophobicContact CG-CD1 3.84Å
289E93.6Very high89.3Confident91 Ų9155.8 Ų55.843%0.42528%0.28SS..Hα-helixtrans-64.4-31.9175.7-70.6-57.8148.400111.9T285 Y286 V291 Y292 S293T285-E289 WeakPolarHBondContact O-CG 3.38Å; T285-E289 PolarHBondContact O-N 3.33Å; Y286-E289 PolarHBondContact O-N 3.2Å; E289-V291 VanDerWaalsContact C-N 3.32Å; E289-V291 PolarHBondContact O-N 3.28Å; E289-Y292 PolarHBondContact O-N 2.75Å; E289-S293 PolarHBondContact O-N 3.3Å
290K94.3Very high90.3Very high85 Ų8552.5 Ų52.537%0.3727%0.266SS..Hα-helixtrans-65.2-34.4174.8-170.465.5174.6-177.30112.4Y286 K287 M288 T294 L352Y286-K290 WeakPolarHBondContact O-CB 3.35Å; Y286-K290 PolarHBondContact O-N 2.78Å; K287-K290 WeakPolarHBondContact O-CB 3.37Å; K287-K290 PolarHBondContact O-N 2.87Å; M288-K290 PolarHBondContact O-N 3.1Å; K290-T294 WeakPolarHBondContact O-CB 3.41Å; K290-T294 PolarHBondContact O-N 2.88Å; K290-T294 PolarHBondContact O-OG1 3.34Å; K290-L352 HydrophobicContact CB-CD1 3.9Å; K290-L352 HydrophobicContact CG-CD1 3.52Å
291V96.3Very high91.3Very high0 Ų056.2 Ų56.20%028%0.279CS..Hα-helixtrans-61-47.3170.81780000110.2K287 M288 E289 T294 L295 L321 L352 C355 L359K287-V291 PolarHBondContact O-N 3.22Å; M288-V291 WeakPolarHBondContact O-CB 3.47Å; M288-V291 PolarHBondContact O-N 3.27Å; M288-V291 VanDerWaalsContact O-N 3.17Å; E289-V291 VanDerWaalsContact C-N 3.32Å; E289-V291 PolarHBondContact O-N 3.28Å; V291-T294 PolarHBondContact O-N 3.29Å; V291-L295 PolarHBondContact O-N 3.3Å; V291-L321 HydrophobicContact CG2-CD1 4.23Å; V291-L352 HydrophobicContact CG2-CB 4.22Å; V291-L352 HydrophobicContact CG2-CD2 3.95Å; V291-C355 HydrophobicContact CG1-CB 4.08Å; V291-C355 HydrophobicContact CG2-CB 4.05Å; V291-L359 HydrophobicContact CG1-CD1 4.13Å
292Y95.3Very high92.6Very high3 Ų348.3 Ų48.31%0.01224%0.242CC..Hα-helixtrans-64.9-41.4177.7-100.5-150.9000113.6M288 E289 T294 L295 K296 Y303 L306 I311 P313 F316M288-Y292 PolarHBondContact O-N 3.11Å; E289-Y292 PolarHBondContact O-N 2.75Å; Y292-T294 VanDerWaalsContact C-N 3.31Å; Y292-T294 PolarHBondContact O-N 3.13Å; Y292-L295 PolarHBondContact O-N 3.09Å; Y292-K296 WeakPolarHBondContact O-CB 3.48Å; Y292-K296 PolarHBondContact O-N 2.84Å; Y292-Y303 HydrophobicContact CD1-CE2 4.26Å; Y292-L306 HydrophobicContact CE2-CD1 4.18Å; Y292-I311 WeakPolarHBondContact CE1-O 3.41Å; Y292-I311 PolarHBondContact OH-O 3.02Å; Y292-P313 HydrophobicContact CD1-CB 4.45Å; Y292-P313 HydrophobicContact CD1-CG 4.09Å; Y292-P313 HydrophobicContact CD2-CB 3.95Å; Y292-P313 HydrophobicContact CD2-CG 4.44Å; Y292-P313 HydrophobicContact CE1-CB 4.49Å; Y292-P313 HydrophobicContact CE1-CG 4.28Å; Y292-P313 HydrophobicContact CE2-CB 4.04Å; Y292-P313 HydrophobicContact CG-CB 4.19Å; Y292-P313 HydrophobicContact CG-CG 4.18Å; Y292-F316 HydrophobicContact CE2-CE1 4.17Å; Y292-F316 AromaticContact CE2-CZ 3.76Å; Y292-F316 HydrophobicContact CE2-CZ 3.76Å
293S95.5Very high93.8Very high51 Ų5147.8 Ų47.836%0.35723%0.233SC..Hα-helixtrans-60.9-43.6174-175.60000111E289 L295 K296 D297E289-S293 PolarHBondContact O-N 3.3Å; S293-L295 VanDerWaalsContact C-N 3.33Å; S293-L295 PolarHBondContact O-N 3.45Å; S293-K296 WeakPolarHBondContact O-CB 3.26Å; S293-K296 PolarHBondContact O-N 2.67Å; S293-D297 VanDerWaalsContact O-CG 3.27Å; S293-D297 PolarHBondContact O-N 3.41Å; S293-D297 VanDerWaalsContact O-N 3.09Å
294T95.9Very high94.7Very high18 Ų1852.6 Ų52.611%0.1126%0.258CS..Hα-helixtrans-65-40.3178-53.40000110.9K290 V291 Y292 D297 K298 L353 C356K290-T294 WeakPolarHBondContact O-CB 3.41Å; K290-T294 PolarHBondContact O-N 2.88Å; K290-T294 PolarHBondContact O-OG1 3.34Å; V291-T294 PolarHBondContact O-N 3.29Å; Y292-T294 VanDerWaalsContact C-N 3.31Å; Y292-T294 PolarHBondContact O-N 3.13Å; T294-D297 PolarHBondContact O-N 3.41Å; T294-K298 HydrophobicContact CG2-CG 4.4Å; T294-K298 WeakPolarHBondContact O-CB 3.46Å; T294-K298 VanDerWaalsContact O-CG 3.31Å; T294-K298 WeakPolarHBondContact O-CG 3.35Å; T294-K298 PolarHBondContact O-N 2.89Å; T294-K298 VanDerWaalsContact O-N 3.08Å; T294-L353 HydrophobicContact CG2-CD2 3.98Å; T294-C356 HydrophobicContact CG2-CB 4.32Å
295L96.9Very high95.2Very high0 Ų054.7 Ų54.70%027%0.267CS..Hα-helixtrans-62.2-44.6174.2-178.468.5000111.4V291 Y292 S293 D297 K298 D299 L302 L306 L359 M360V291-L295 PolarHBondContact O-N 3.3Å; Y292-L295 PolarHBondContact O-N 3.09Å; S293-L295 VanDerWaalsContact C-N 3.33Å; S293-L295 PolarHBondContact O-N 3.45Å; L295-D297 VanDerWaalsContact C-N 3.25Å; L295-D297 PolarHBondContact O-N 3.15Å; L295-K298 PolarHBondContact O-N 2.94Å; L295-D299 HydrophobicContact CD1-CB 4.14Å; L295-D299 CarbonylContact O-C 3.51Å; L295-D299 VanDerWaalsContact O-C 3.28Å; L295-D299 WeakPolarHBondContact O-CA 3.25Å; L295-D299 PolarHBondContact O-N 3.48Å; L295-L302 HydrophobicContact CD1-CD2 4.02Å; L295-L302 HydrophobicContact CD1-CG 4.46Å; L295-L302 HydrophobicContact CD2-CG 4.36Å; L295-L306 HydrophobicContact CD2-CD1 3.8Å; L295-L359 HydrophobicContact CD1-CB 4.32Å; L295-L359 HydrophobicContact CD2-CD1 3.94Å; L295-M360 HydrophobicContact CD1-CG 3.94Å
296K97.1Very high95.7Very high102 Ų10252.6 Ų52.644%0.44325%0.254SS..Hα-helixtrans-56.9-41177.3-177.2-176.7177.2-175.30112.1Y292 S293 Y303Y292-K296 WeakPolarHBondContact O-CB 3.48Å; Y292-K296 PolarHBondContact O-N 2.84Å; S293-K296 WeakPolarHBondContact O-CB 3.26Å; S293-K296 PolarHBondContact O-N 2.67Å; K296-Y303 HydrophobicContact CB-CD1 3.98Å; K296-Y303 HydrophobicContact CB-CD2 3.73Å; K296-Y303 HydrophobicContact CB-CE1 4.3Å; K296-Y303 HydrophobicContact CB-CE2 4.04Å; K296-Y303 HydrophobicContact CB-CG 3.69Å; K296-Y303 HydrophobicContact CD-CD1 4.24Å; K296-Y303 HydrophobicContact CD-CE1 3.85Å; K296-Y303 HydrophobicContact CD-CE2 4.4Å; K296-Y303 HydrophobicContact CG-CD1 3.73Å; K296-Y303 HydrophobicContact CG-CD2 4.36Å; K296-Y303 HydrophobicContact CG-CE1 3.88Å; K296-Y303 HydrophobicContact CG-CE2 4.45Å; K296-Y303 HydrophobicContact CG-CG 4Å
297D96.2Very high96Very high124 Ų12451 Ų5166%0.66325%0.251SS*.Hα-helixtrans-73.1-31.2-179-64.2-22.3000112.4S293 T294 L295S293-D297 VanDerWaalsContact O-CG 3.27Å; S293-D297 PolarHBondContact O-N 3.41Å; S293-D297 VanDerWaalsContact O-N 3.09Å; T294-D297 PolarHBondContact O-N 3.41Å; L295-D297 VanDerWaalsContact C-N 3.25Å; L295-D297 PolarHBondContact O-N 3.15Å
298K95.5Very high96.3Very high75 Ų7556.4 Ų56.433%0.32628%0.277SS..Hα-helixtrans-99.5-30.9-173.7-62.8-70.4-178.8176.40114.3T294 L295 M360 L396 S399T294-K298 HydrophobicContact CG2-CG 4.4Å; T294-K298 WeakPolarHBondContact O-CB 3.46Å; T294-K298 VanDerWaalsContact O-CG 3.31Å; T294-K298 WeakPolarHBondContact O-CG 3.35Å; T294-K298 PolarHBondContact O-N 2.89Å; T294-K298 VanDerWaalsContact O-N 3.08Å; L295-K298 PolarHBondContact O-N 2.94Å; K298-M360 HydrophobicContact CB-CE 4.38Å; K298-M360 HydrophobicContact CB-SD 4.18Å; K298-L396 HydrophobicContact CB-CD2 4.28Å; K298-L396 HydrophobicContact CD-CD2 3.93Å; K298-L396 HydrophobicContact CG-CD2 3.97Å; K298-S399 PolarHBondContact NZ-O 3.18Å; K298-S399 PolarHBondContact NZ-OG 3.39Å
299D96.6Very high96.4Very high14 Ų1457.4 Ų57.48%0.07528%0.281CS..  trans-149.480.5178.7-166.5-20.8000110.3L295 E301 L302 Y303 M360 R363L295-D299 HydrophobicContact CD1-CB 4.14Å; L295-D299 CarbonylContact O-C 3.51Å; L295-D299 VanDerWaalsContact O-C 3.28Å; L295-D299 WeakPolarHBondContact O-CA 3.25Å; L295-D299 PolarHBondContact O-N 3.48Å; D299-E301 PolarHBondContact O-N 3Å; D299-L302 HydrophobicContact CB-CB 4.23Å; D299-L302 PolarHBondContact O-N 3.34Å; D299-L302 PolarHBondContact OD1-N 3.2Å; D299-L302 VanDerWaalsContact OD1-N 3.13Å; D299-Y303 PolarHBondContact O-N 3.47Å; D299-M360 HydrophobicContact CB-CE 4.34Å; D299-M360 HydrophobicContact CB-CG 4.48Å; D299-R363 IonicContact OD1-NH2 2.88Å; D299-R363 PolarHBondContact OD1-NH2 3.18Å; D299-R363 IonicContact OD2-CZ 2.73Å; D299-R363 VanDerWaalsContact OD2-CZ 3.31Å; D299-R363 IonicContact OD2-NE 3.01Å; D299-R363 PolarHBondContact OD2-NE 3.39Å; D299-R363 IonicContact OD2-NH2 3.59Å; D299-R363 PolarHBondContact OD2-NH2 2.83Å
300V97.1Very high96.5Very high80 Ų8058.8 Ų58.849%0.48529%0.291SS..Hα-helixtrans-62.9-31.3-176.971.10000112.7Y303 L304V300-Y303 PolarHBondContact O-N 3.35Å; V300-L304 HydrophobicContact CG2-CD1 4.21Å; V300-L304 HydrophobicContact CG2-CG 4.33Å; V300-L304 WeakPolarHBondContact O-CB 3.45Å; V300-L304 VanDerWaalsContact O-CG 3.23Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 3.49Å
301E98Very high96.5Very high112 Ų11254.8 Ų54.852%0.52327%0.274SS..Hα-helixtrans-66.5-49.8-180-176.7-179.7-154.600110.4D299 Y303 L304 K305 R363 L367D299-E301 PolarHBondContact O-N 3Å; E301-Y303 VanDerWaalsContact C-N 3.33Å; E301-Y303 PolarHBondContact O-N 3.04Å; E301-L304 PolarHBondContact O-N 3.15Å; E301-K305 PolarHBondContact O-N 3.11Å; E301-R363 IonicContact OE2-NH2 3.31Å; E301-L367 HydrophobicContact CG-CD2 4.05Å
302L97.7Very high96.4Very high0 Ų059.7 Ų59.70%030%0.296CS..Hα-helixtrans-62.2-42.4175.9-176.757.7000111.6L295 D299 L304 K305 L306 L359 R363 L366 L367L295-L302 HydrophobicContact CD1-CD2 4.02Å; L295-L302 HydrophobicContact CD1-CG 4.46Å; L295-L302 HydrophobicContact CD2-CG 4.36Å; D299-L302 HydrophobicContact CB-CB 4.23Å; D299-L302 PolarHBondContact O-N 3.34Å; D299-L302 PolarHBondContact OD1-N 3.2Å; D299-L302 VanDerWaalsContact OD1-N 3.13Å; L302-L304 PolarHBondContact O-N 3.34Å; L302-K305 PolarHBondContact O-N 3.37Å; L302-L306 WeakPolarHBondContact O-CG 3.29Å; L302-L306 PolarHBondContact O-N 2.85Å; L302-L306 VanDerWaalsContact O-N 3.07Å; L302-L359 HydrophobicContact CD2-CB 4.4Å; L302-L359 WeakPolarHBondContact CD2-O 3.34Å; L302-R363 HydrophobicContact CD2-CB 3.8Å; L302-L366 HydrophobicContact CD1-CB 3.56Å; L302-L366 HydrophobicContact CD1-CD1 3.93Å; L302-L366 HydrophobicContact CD1-CG 4.42Å; L302-L366 HydrophobicContact CD2-CD1 4.29Å; L302-L367 HydrophobicContact CD1-CD2 4.26Å; L302-L367 HydrophobicContact CD1-CG 4.32Å
303Y97.8Very high96.3Very high42 Ų4259.7 Ų59.717%0.16530%0.296CS..Hα-helixtrans-56.9-47.5174.9167.5-95.1000112.2Y292 K296 D299 V300 E301 K305 L306 Q307Y292-Y303 HydrophobicContact CD1-CE2 4.26Å; K296-Y303 HydrophobicContact CB-CD1 3.98Å; K296-Y303 HydrophobicContact CB-CD2 3.73Å; K296-Y303 HydrophobicContact CB-CE1 4.3Å; K296-Y303 HydrophobicContact CB-CE2 4.04Å; K296-Y303 HydrophobicContact CB-CG 3.69Å; K296-Y303 HydrophobicContact CD-CD1 4.24Å; K296-Y303 HydrophobicContact CD-CE1 3.85Å; K296-Y303 HydrophobicContact CD-CE2 4.4Å; K296-Y303 HydrophobicContact CG-CD1 3.73Å; K296-Y303 HydrophobicContact CG-CD2 4.36Å; K296-Y303 HydrophobicContact CG-CE1 3.88Å; K296-Y303 HydrophobicContact CG-CE2 4.45Å; K296-Y303 HydrophobicContact CG-CG 4Å; D299-Y303 PolarHBondContact O-N 3.47Å; V300-Y303 PolarHBondContact O-N 3.35Å; E301-Y303 VanDerWaalsContact C-N 3.33Å; E301-Y303 PolarHBondContact O-N 3.04Å; Y303-K305 VanDerWaalsContact C-N 3.34Å; Y303-K305 PolarHBondContact O-N 2.99Å; Y303-L306 PolarHBondContact O-N 3.03Å; Y303-Q307 HydrophobicContact CD1-CG 4.34Å; Y303-Q307 HydrophobicContact CD2-CG 4.31Å; Y303-Q307 HydrophobicContact CE1-CG 3.84Å; Y303-Q307 HydrophobicContact CE2-CG 3.83Å; Y303-Q307 WeakPolarHBondContact O-CG 3.37Å; Y303-Q307 PolarHBondContact O-N 3.16Å
304L97.6Very high96Very high101 Ų10161.7 Ų61.753%0.52930%0.299SS..Hα-helixtrans-64.1-39.2-179.9-73.8173.2000111.8V300 E301 L302 Q307 E308V300-L304 HydrophobicContact CG2-CD1 4.21Å; V300-L304 HydrophobicContact CG2-CG 4.33Å; V300-L304 WeakPolarHBondContact O-CB 3.45Å; V300-L304 VanDerWaalsContact O-CG 3.23Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 3.49Å; E301-L304 PolarHBondContact O-N 3.15Å; L302-L304 PolarHBondContact O-N 3.34Å; L304-Q307 PolarHBondContact O-N 3.03Å; L304-E308 WeakPolarHBondContact O-CB 3.43Å; L304-E308 PolarHBondContact O-N 3.29Å
305K97.1Very high95.8Very high46 Ų4664.8 Ų64.820%0.231%0.311CS..Hα-helixtrans-59.5-47.8174.8178.673.9-179.4-163.30112.1E301 L302 Y303 Q307 E308 Q309 L367 G369E301-K305 PolarHBondContact O-N 3.11Å; L302-K305 PolarHBondContact O-N 3.37Å; Y303-K305 VanDerWaalsContact C-N 3.34Å; Y303-K305 PolarHBondContact O-N 2.99Å; K305-Q307 VanDerWaalsContact C-N 3.31Å; K305-Q307 PolarHBondContact O-N 3.28Å; K305-E308 PolarHBondContact O-N 3.18Å; K305-Q309 WeakPolarHBondContact O-CG 3.36Å; K305-Q309 PolarHBondContact O-N 2.6Å; K305-Q309 VanDerWaalsContact O-N 3.15Å; K305-L367 HydrophobicContact CB-CD2 3.84Å; K305-L367 WeakPolarHBondContact CE-O 3.39Å; K305-L367 HydrophobicContact CG-CD2 4.1Å; K305-L367 PolarHBondContact NZ-O 3.33Å; K305-G369 WeakPolarHBondContact CE-O 3.24Å; K305-G369 PolarHBondContact NZ-O 3.29Å
306L96.7Very high95.7Very high0 Ų064.9 Ų64.90%031%0.312CS..Hα-helixtrans-64-38.5178.6-65.7178.7000111.6Y292 L295 L302 Y303 Q309 N310 I311Y292-L306 HydrophobicContact CE2-CD1 4.18Å; L295-L306 HydrophobicContact CD2-CD1 3.8Å; L302-L306 WeakPolarHBondContact O-CG 3.29Å; L302-L306 PolarHBondContact O-N 2.85Å; L302-L306 VanDerWaalsContact O-N 3.07Å; Y303-L306 PolarHBondContact O-N 3.03Å; L306-Q309 PolarHBondContact O-N 2.89Å; L306-N310 PolarHBondContact O-N 3.28Å; L306-I311 HydrophobicContact CB-CB 4.46Å; L306-I311 HydrophobicContact CD2-CB 4.37Å; L306-I311 HydrophobicContact CD2-CD1 3.85Å; L306-I311 HydrophobicContact CD2-CG2 4.42Å; L306-I311 PolarHBondContact O-N 3.31Å
307Q95.9Very high95.5Very high81 Ų8160 Ų6038%0.37929%0.291SS..Hα-helixtrans-65.4-44.9174.8-73.3-70.4-4200112.6Y303 L304 K305 Q309 N310Y303-Q307 HydrophobicContact CD1-CG 4.34Å; Y303-Q307 HydrophobicContact CD2-CG 4.31Å; Y303-Q307 HydrophobicContact CE1-CG 3.84Å; Y303-Q307 HydrophobicContact CE2-CG 3.83Å; Y303-Q307 WeakPolarHBondContact O-CG 3.37Å; Y303-Q307 PolarHBondContact O-N 3.16Å; L304-Q307 PolarHBondContact O-N 3.03Å; K305-Q307 VanDerWaalsContact C-N 3.31Å; K305-Q307 PolarHBondContact O-N 3.28Å; Q307-Q309 PolarHBondContact O-N 3.42Å; Q307-N310 PolarHBondContact O-N 2.86Å
308E96.7Very high95.3Very high151 Ų15158.7 Ų58.771%0.70628%0.279SS*.Hα-helixtrans-56.5-40.7177-176.5-172.4-178.100111.2L304 K305 N310L304-E308 WeakPolarHBondContact O-CB 3.43Å; L304-E308 PolarHBondContact O-N 3.29Å; K305-E308 PolarHBondContact O-N 3.18Å; E308-N310 PolarHBondContact O-N 3.48Å
309Q95.9Very high95.1Very high30 Ų3058.1 Ų58.114%0.1428%0.275CS..THydrogen-bonded Turntrans-78.8-0.6177.9-66.9-176-21.800114.2K305 L306 Q307 I311 G369 D370 F371 N374K305-Q309 WeakPolarHBondContact O-CG 3.36Å; K305-Q309 PolarHBondContact O-N 2.6Å; K305-Q309 VanDerWaalsContact O-N 3.15Å; L306-Q309 PolarHBondContact O-N 2.89Å; Q307-Q309 PolarHBondContact O-N 3.42Å; Q309-I311 HydrophobicContact CB-CD1 4.13Å; Q309-I311 HydrophobicContact CB-CG1 3.99Å; Q309-I311 PolarHBondContact O-N 3.3Å; Q309-G369 PolarHBondContact NE2-O 3.48Å; Q309-D370 VanDerWaalsContact NE2-CA 3.29Å; Q309-F371 VanDerWaalsContact O-CD2 3.25Å; Q309-F371 WeakPolarHBondContact O-CD2 3.4Å; Q309-N374 PolarHBondContact OE1-ND2 3.27Å
310N95.4Very high95.1Very high119 Ų11957.5 Ų57.564%0.63627%0.272SS*.THydrogen-bonded Turntrans56.329.9-173.5-61.1-80.6000113.6L306 Q307 E308 K312L306-N310 PolarHBondContact O-N 3.28Å; Q307-N310 PolarHBondContact O-N 2.86Å; E308-N310 PolarHBondContact O-N 3.48Å; N310-K312 PolarHBondContact O-N 2.76Å
311I95.5Very high95Very high1 Ų153.9 Ų53.91%0.00525%0.25CC..  trans-74.9114.6171.6-63.4176.1000107Y292 L306 Q309 F316 F371 N374 M375 L378Y292-I311 WeakPolarHBondContact CE1-O 3.41Å; Y292-I311 PolarHBondContact OH-O 3.02Å; L306-I311 HydrophobicContact CB-CB 4.46Å; L306-I311 HydrophobicContact CD2-CB 4.37Å; L306-I311 HydrophobicContact CD2-CD1 3.85Å; L306-I311 HydrophobicContact CD2-CG2 4.42Å; L306-I311 PolarHBondContact O-N 3.31Å; Q309-I311 HydrophobicContact CB-CD1 4.13Å; Q309-I311 HydrophobicContact CB-CG1 3.99Å; Q309-I311 PolarHBondContact O-N 3.3Å; I311-F316 HydrophobicContact CG2-CD1 4.34Å; I311-F316 HydrophobicContact CG2-CE1 4.05Å; I311-F371 HydrophobicContact CD1-CD2 4.36Å; I311-F371 HydrophobicContact CG1-CD2 3.63Å; I311-F371 HydrophobicContact CG1-CE2 3.93Å; I311-N374 HydrophobicContact CD1-CB 3.52Å; I311-M375 HydrophobicContact CG1-SD 4.4Å; I311-M375 HydrophobicContact CG2-SD 3.99Å; I311-L378 HydrophobicContact CG2-CD1 3.95Å
312K93.5Very high94.7Very high104 Ų10448.8 Ų48.845%0.45223%0.226SC..  trans-95.9145.6178.3-63.5-173178-173.80110.3N310 Q314 F315N310-K312 PolarHBondContact O-N 2.76Å; K312-Q314 HydrophobicContact CB-CG 3.75Å; K312-Q314 PolarHBondContact O-N 3.04Å; K312-F315 HydrophobicContact CB-CD2 4.05Å; K312-F315 HydrophobicContact CB-CE2 3.82Å; K312-F315 HydrophobicContact CB-CG 4.49Å; K312-F315 HydrophobicContact CB-CZ 4.08Å; K312-F315 HydrophobicContact CD-CZ 4.28Å; K312-F315 HydrophobicContact CG-CE2 4.1Å; K312-F315 HydrophobicContact CG-CZ 4.27Å; K312-F315 WeakPolarHBondContact O-CB 3.48Å; K312-F315 PolarHBondContact O-N 3.31Å
313P93Very high94.5Very high3 Ų349.2 Ų49.22%0.01923%0.229CC..G310 helixtrans-62-31.2-176.226.8-33.3000111.7M288 Y292 F315 F316 A317M288-P313 HydrophobicContact CB-CB 4.1Å; M288-P313 HydrophobicContact CB-CG 4.25Å; Y292-P313 HydrophobicContact CD1-CB 4.45Å; Y292-P313 HydrophobicContact CD1-CG 4.09Å; Y292-P313 HydrophobicContact CD2-CB 3.95Å; Y292-P313 HydrophobicContact CD2-CG 4.44Å; Y292-P313 HydrophobicContact CE1-CB 4.49Å; Y292-P313 HydrophobicContact CE1-CG 4.28Å; Y292-P313 HydrophobicContact CE2-CB 4.04Å; Y292-P313 HydrophobicContact CG-CB 4.19Å; Y292-P313 HydrophobicContact CG-CG 4.18Å; P313-F315 PolarHBondContact O-N 3.28Å; P313-F316 HydrophobicContact CB-CZ 4.45Å; P313-F316 PolarHBondContact O-N 2.76Å; P313-F316 VanDerWaalsContact O-N 3.11Å; P313-A317 HydrophobicContact CB-CB 4.23Å; P313-A317 WeakPolarHBondContact O-CA 3.38Å; P313-A317 VanDerWaalsContact O-CB 3.24Å; P313-A317 WeakPolarHBondContact O-CB 3.5Å; P313-A317 PolarHBondContact O-N 3.48Å
314Q90.7Very high94.5Very high92 Ų9247.4 Ų47.443%0.4322%0.222SC..G310 helixtrans-53.6-22.517468.5-142.348.900115.6M288 K312 F316M288-Q314 HydrophobicContact CE-CB 4.22Å; M288-Q314 VanDerWaalsContact SD-CA 3.57Å; M288-Q314 HydrophobicContact SD-CB 4.23Å; K312-Q314 HydrophobicContact CB-CG 3.75Å; K312-Q314 PolarHBondContact O-N 3.04Å; Q314-F316 VanDerWaalsContact C-N 3.32Å
315F92Very high94.4Very high83 Ų8342.6 Ų42.636%0.36420%0.197SC..G310 helixtrans-78.6-15.4-178.3-56.3-33000113.9K312 P313 M375 Q379K312-F315 HydrophobicContact CB-CD2 4.05Å; K312-F315 HydrophobicContact CB-CE2 3.82Å; K312-F315 HydrophobicContact CB-CG 4.49Å; K312-F315 HydrophobicContact CB-CZ 4.08Å; K312-F315 HydrophobicContact CD-CZ 4.28Å; K312-F315 HydrophobicContact CG-CE2 4.1Å; K312-F315 HydrophobicContact CG-CZ 4.27Å; K312-F315 WeakPolarHBondContact O-CB 3.48Å; K312-F315 PolarHBondContact O-N 3.31Å; P313-F315 PolarHBondContact O-N 3.28Å; F315-M375 HydrophobicContact CB-CE 3.52Å; F315-M375 HydrophobicContact CB-SD 3.88Å; F315-M375 HydrophobicContact CD2-SD 3.97Å; F315-M375 HydrophobicContact CG-CE 4.4Å; F315-M375 HydrophobicContact CG-SD 4.37Å; F315-Q379 PolarHBondContact O-NE2 3.42Å
316F93.5Very high94.3Very high3 Ų341 Ų411%0.01319%0.191CC..THydrogen-bonded Turntrans-140-45.7-17965.1-88.5000112.4Y292 I311 P313 Q314 F318 R319 W320 L359 L378Y292-F316 HydrophobicContact CE2-CE1 4.17Å; Y292-F316 AromaticContact CE2-CZ 3.76Å; Y292-F316 HydrophobicContact CE2-CZ 3.76Å; I311-F316 HydrophobicContact CG2-CD1 4.34Å; I311-F316 HydrophobicContact CG2-CE1 4.05Å; P313-F316 HydrophobicContact CB-CZ 4.45Å; P313-F316 PolarHBondContact O-N 2.76Å; P313-F316 VanDerWaalsContact O-N 3.11Å; Q314-F316 VanDerWaalsContact C-N 3.32Å; F316-F318 VanDerWaalsContact C-N 3.3Å; F316-F318 PolarHBondContact O-N 3.04Å; F316-R319 PolarHBondContact O-N 3Å; F316-W320 HydrophobicContact CD2-CD2 4.05Å; F316-W320 AromaticContact CD2-CE3 3.89Å; F316-W320 HydrophobicContact CD2-CE3 3.89Å; F316-W320 AromaticContact CD2-CH2 3.82Å; F316-W320 HydrophobicContact CD2-CH2 3.82Å; F316-W320 AromaticContact CD2-CZ2 3.99Å; F316-W320 HydrophobicContact CD2-CZ2 3.99Å; F316-W320 AromaticContact CD2-CZ3 3.77Å; F316-W320 HydrophobicContact CD2-CZ3 3.77Å; F316-W320 HydrophobicContact CE2-CE3 4.19Å; F316-W320 HydrophobicContact CE2-CH2 4.22Å; F316-W320 AromaticContact CE2-CZ3 3.89Å; F316-W320 HydrophobicContact CE2-CZ3 3.89Å; F316-W320 PolarHBondContact O-N 2.94Å; F316-L359 HydrophobicContact CE2-CD1 4.18Å; F316-L359 HydrophobicContact CE2-CD2 3.84Å; F316-L359 HydrophobicContact CE2-CG 4.44Å; F316-L359 HydrophobicContact CZ-CD1 4.19Å; F316-L359 HydrophobicContact CZ-CD2 4.06Å; F316-L378 HydrophobicContact CB-CB 3.9Å; F316-L378 HydrophobicContact CD1-CB 4.33Å; F316-L378 HydrophobicContact CD1-CD1 3.82Å; F316-L378 HydrophobicContact CD2-CD2 4.44Å; F316-L378 HydrophobicContact CE1-CD1 3.96Å; F316-L378 HydrophobicContact CG-CB 4.02Å; F316-L378 HydrophobicContact CG-CD1 4.26Å
317A94.2Very high94.1Very high0 Ų044.9 Ų44.90%021%0.209CC..Hα-helixtrans-69.7-23.9-173.500000113.6M288 P313 R319 W320 L321M288-A317 HydrophobicContact CG-CB 3.96Å; M288-A317 HydrophobicContact SD-CB 4.43Å; P313-A317 HydrophobicContact CB-CB 4.23Å; P313-A317 WeakPolarHBondContact O-CA 3.38Å; P313-A317 VanDerWaalsContact O-CB 3.24Å; P313-A317 WeakPolarHBondContact O-CB 3.5Å; P313-A317 PolarHBondContact O-N 3.48Å; A317-R319 PolarHBondContact O-N 3.04Å; A317-W320 PolarHBondContact O-N 3.23Å; A317-L321 WeakPolarHBondContact O-CB 3.42Å; A317-L321 VanDerWaalsContact O-CG 3.23Å; A317-L321 WeakPolarHBondContact O-CG 3.46Å; A317-L321 PolarHBondContact O-N 2.82Å
318F91.6Very high94Very high96 Ų9642.1 Ų42.142%0.42120%0.196SC..Hα-helixtrans-55.7-53.5176176.4-95.8000110.3I284 M288 F316 L321 T322I284-F318 HydrophobicContact CG1-CD2 3.65Å; I284-F318 HydrophobicContact CG1-CE2 3.97Å; I284-F318 HydrophobicContact CG2-CD2 4.14Å; I284-F318 HydrophobicContact CG2-CE2 3.98Å; M288-F318 HydrophobicContact CE-CD2 4.4Å; M288-F318 WeakPolarHBondContact SD-CA 3.38Å; M288-F318 HydrophobicContact SD-CB 3.62Å; M288-F318 HydrophobicContact SD-CD2 4.41Å; M288-F318 PolarHBondContact SD-N 3.43Å; M288-F318 VanDerWaalsContact SD-N 3.36Å; F316-F318 VanDerWaalsContact C-N 3.3Å; F316-F318 PolarHBondContact O-N 3.04Å; F318-L321 PolarHBondContact O-N 2.7Å; F318-T322 HydrophobicContact CD1-CG2 4.47Å; F318-T322 HydrophobicContact CD2-CG2 4.09Å; F318-T322 HydrophobicContact CE1-CG2 4.19Å; F318-T322 HydrophobicContact CE2-CG2 3.78Å; F318-T322 HydrophobicContact CG-CG2 4.43Å; F318-T322 HydrophobicContact CZ-CG2 3.83Å; F318-T322 WeakPolarHBondContact O-CB 3.46Å; F318-T322 VanDerWaalsContact O-CG2 3.26Å; F318-T322 WeakPolarHBondContact O-CG2 3.29Å; F318-T322 PolarHBondContact O-N 2.91Å; F318-T322 PolarHBondContact O-OG1 2.69Å
319R91.4Very high93.9Very high63 Ų6335.9 Ų35.924%0.23817%0.167CC..Hα-helixtrans-65.6-43.6180-175.3170.360113.15.2111.6F316 A317 L321 T322 L323 Q327 E328 Q379F316-R319 PolarHBondContact O-N 3Å; A317-R319 PolarHBondContact O-N 3.04Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.28Å; R319-T322 PolarHBondContact O-OG1 3.5Å; R319-L323 HydrophobicContact CG-CD1 3.87Å; R319-L323 HydrophobicContact CG-CG 4.46Å; R319-L323 WeakPolarHBondContact O-CB 3.46Å; R319-L323 PolarHBondContact O-N 3.44Å; R319-L323 VanDerWaalsContact O-N 3.11Å; R319-Q327 VanDerWaalsContact CD-OE1 3.23Å; R319-Q327 HydrophobicContact CG-CB 4.39Å; R319-Q327 VanDerWaalsContact NH1-CB 3.35Å; R319-Q327 PolarHBondContact NH1-O 2.75Å; R319-E328 VanDerWaalsContact CZ-CD 3.4Å; R319-E328 IonicContact CZ-OE1 2.66Å; R319-E328 IonicContact CZ-OE2 2.94Å; R319-E328 IonicContact NE-OE1 3.53Å; R319-E328 PolarHBondContact NE-OE1 3.1Å; R319-E328 IonicContact NH1-OE1 2.97Å; R319-E328 PolarHBondContact NH1-OE1 2.98Å; R319-E328 IonicContact NH1-OE2 3.79Å; R319-E328 IonicContact NH2-OE1 2.94Å; R319-E328 PolarHBondContact NH2-OE1 3.11Å; R319-E328 IonicContact NH2-OE2 3.85Å; R319-E328 PolarHBondContact NH2-OE2 3.45Å; R319-Q379 PolarHBondContact NH2-O 3.15Å
320W95.7Very high93.9Very high0 Ų039.2 Ų39.20%019%0.185CC..Hα-helixtrans-55.6-45.1178.8-67.910000112.2F316 A317 L324 L325 E328 C355 M358 L359 L378 Y381F316-W320 HydrophobicContact CD2-CD2 4.05Å; F316-W320 AromaticContact CD2-CE3 3.89Å; F316-W320 HydrophobicContact CD2-CE3 3.89Å; F316-W320 AromaticContact CD2-CH2 3.82Å; F316-W320 HydrophobicContact CD2-CH2 3.82Å; F316-W320 AromaticContact CD2-CZ2 3.99Å; F316-W320 HydrophobicContact CD2-CZ2 3.99Å; F316-W320 AromaticContact CD2-CZ3 3.77Å; F316-W320 HydrophobicContact CD2-CZ3 3.77Å; F316-W320 HydrophobicContact CE2-CE3 4.19Å; F316-W320 HydrophobicContact CE2-CH2 4.22Å; F316-W320 AromaticContact CE2-CZ3 3.89Å; F316-W320 HydrophobicContact CE2-CZ3 3.89Å; F316-W320 PolarHBondContact O-N 2.94Å; A317-W320 PolarHBondContact O-N 3.23Å; W320-L324 PolarHBondContact O-N 2.66Å; W320-L325 HydrophobicContact CB-CD2 3.57Å; W320-L325 HydrophobicContact CD2-CD2 4.16Å; W320-L325 HydrophobicContact CG-CD2 3.76Å; W320-L325 PolarHBondContact O-N 2.96Å; W320-E328 HydrophobicContact CG-CG 4.15Å; W320-E328 PolarHBondContact NE1-OE1 2.75Å; W320-E328 PolarHBondContact NE1-OE2 3.46Å; W320-C355 HydrophobicContact CE3-CB 3.96Å; W320-C355 HydrophobicContact CZ3-CB 4.43Å; W320-M358 HydrophobicContact CD2-CE 4.07Å; W320-M358 HydrophobicContact CE3-CE 4.09Å; W320-M358 HydrophobicContact CE3-SD 4.18Å; W320-M358 HydrophobicContact CH2-CB 4.1Å; W320-M358 HydrophobicContact CH2-CE 3.69Å; W320-M358 HydrophobicContact CH2-SD 4.5Å; W320-M358 HydrophobicContact CZ2-CE 3.64Å; W320-M358 HydrophobicContact CZ3-CB 3.93Å; W320-M358 HydrophobicContact CZ3-CE 3.91Å; W320-M358 HydrophobicContact CZ3-SD 4.15Å; W320-L359 HydrophobicContact CH2-CD2 4.19Å; W320-L359 HydrophobicContact CZ3-CD2 4.27Å; W320-L359 HydrophobicContact CZ3-CG 4.38Å; W320-L378 HydrophobicContact CH2-CD2 4.12Å; W320-L378 WeakPolarHBondContact CZ2-O 3.39Å; W320-Y381 HydrophobicContact CH2-CD2 4.29Å; W320-Y381 HydrophobicContact CZ2-CD2 4.24Å
321L94.9Very high93.9Very high4 Ų434.2 Ų34.22%0.02116%0.158CC..Hα-helixtrans-83.1-45.4-174.8-65.4177000112.6I284 K287 M288 V291 A317 F318 R319 L323 L324 L351 L352 C355I284-L321 HydrophobicContact CD1-CB 3.75Å; I284-L321 HydrophobicContact CD1-CD1 4.33Å; K287-L321 HydrophobicContact CB-CD1 3.97Å; M288-L321 HydrophobicContact CG-CD1 3.84Å; V291-L321 HydrophobicContact CG2-CD1 4.23Å; A317-L321 WeakPolarHBondContact O-CB 3.42Å; A317-L321 VanDerWaalsContact O-CG 3.23Å; A317-L321 WeakPolarHBondContact O-CG 3.46Å; A317-L321 PolarHBondContact O-N 2.82Å; F318-L321 PolarHBondContact O-N 2.7Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.28Å; L321-L323 VanDerWaalsContact C-N 3.29Å; L321-L323 PolarHBondContact O-N 2.87Å; L321-L324 PolarHBondContact O-N 2.82Å; L321-L351 HydrophobicContact CD2-CD2 3.97Å; L321-L351 HydrophobicContact CD2-CG 3.88Å; L321-L352 HydrophobicContact CD1-CD2 4.1Å; L321-L352 HydrophobicContact CD2-CD2 3.64Å; L321-C355 VanDerWaalsContact CD2-SG 3.57Å
322T92.2Very high93.8Very high6 Ų638.3 Ų38.34%0.03719%0.185CC..Hα-helixtrans-64.1-35.2-178.6510000112.5N272 I284 F318 R319N272-T322 HydrophobicContact CB-CG2 4.3Å; I284-T322 HydrophobicContact CD1-CG2 3.62Å; I284-T322 HydrophobicContact CG1-CG2 3.77Å; F318-T322 HydrophobicContact CD1-CG2 4.47Å; F318-T322 HydrophobicContact CD2-CG2 4.09Å; F318-T322 HydrophobicContact CE1-CG2 4.19Å; F318-T322 HydrophobicContact CE2-CG2 3.78Å; F318-T322 HydrophobicContact CG-CG2 4.43Å; F318-T322 HydrophobicContact CZ-CG2 3.83Å; F318-T322 WeakPolarHBondContact O-CB 3.46Å; F318-T322 VanDerWaalsContact O-CG2 3.26Å; F318-T322 WeakPolarHBondContact O-CG2 3.29Å; F318-T322 PolarHBondContact O-N 2.91Å; F318-T322 PolarHBondContact O-OG1 2.69Å; R319-T322 PolarHBondContact O-OG1 3.5Å
323L94Very high94Very high9 Ų935.5 Ų35.55%0.04718%0.175CC..THydrogen-bonded Turntrans-104.211-176-50.4-173.9000112.9G230 E233 R319 L321 L325 S326 Q327G230-L323 WeakPolarHBondContact O-CD2 3.2Å; E233-L323 HydrophobicContact CG-CD1 4.38Å; R319-L323 HydrophobicContact CG-CD1 3.87Å; R319-L323 HydrophobicContact CG-CG 4.46Å; R319-L323 WeakPolarHBondContact O-CB 3.46Å; R319-L323 PolarHBondContact O-N 3.44Å; R319-L323 VanDerWaalsContact O-N 3.11Å; L321-L323 VanDerWaalsContact C-N 3.29Å; L321-L323 PolarHBondContact O-N 2.87Å; L323-L325 PolarHBondContact O-N 3.27Å; L323-L325 VanDerWaalsContact O-N 3.16Å; L323-S326 WeakPolarHBondContact O-CB 3.47Å; L323-S326 PolarHBondContact O-N 3.47Å; L323-S326 PolarHBondContact O-OG 3.45Å; L323-Q327 HydrophobicContact CD1-CB 4.35Å; L323-Q327 VanDerWaalsContact CD1-CD 3.49Å; L323-Q327 HydrophobicContact CD1-CG 3.63Å
324L96.4Very high94.1Very high3 Ų335.5 Ų35.52%0.01618%0.175CC..THydrogen-bonded Turntrans50.642.9-179.8-49.6178.3000112.1L265 I269 W320 L321 S326 W338 F348 L351L265-L324 HydrophobicContact CD1-CD1 4.3Å; L265-L324 HydrophobicContact CD2-CD1 4.09Å; I269-L324 HydrophobicContact CD1-CD1 4.38Å; W320-L324 PolarHBondContact O-N 2.66Å; L321-L324 PolarHBondContact O-N 2.82Å; L324-S326 PolarHBondContact O-N 3.37Å; L324-W338 HydrophobicContact CB-CZ2 3.96Å; L324-W338 HydrophobicContact CD1-CZ2 4.08Å; L324-W338 PolarHBondContact O-NE1 3.48Å; L324-F348 HydrophobicContact CD2-CD1 4.4Å; L324-F348 HydrophobicContact CD2-CE1 4.18Å; L324-L351 HydrophobicContact CD2-CD2 3.57Å
325L96.4Very high94.5Very high1 Ų131.5 Ų31.51%0.00516%0.156CC..THydrogen-bonded Turntrans62.911.3-179-60.2164.5000116.1W320 L323 Q327 E328 F329 I337 L351 V354 M358W320-L325 HydrophobicContact CB-CD2 3.57Å; W320-L325 HydrophobicContact CD2-CD2 4.16Å; W320-L325 HydrophobicContact CG-CD2 3.76Å; W320-L325 PolarHBondContact O-N 2.96Å; L323-L325 PolarHBondContact O-N 3.27Å; L323-L325 VanDerWaalsContact O-N 3.16Å; L325-Q327 PolarHBondContact O-N 2.82Å; L325-E328 HydrophobicContact CD2-CG 3.9Å; L325-E328 PolarHBondContact O-N 3.25Å; L325-F329 HydrophobicContact CB-CD2 4Å; L325-F329 HydrophobicContact CB-CE2 4.06Å; L325-F329 HydrophobicContact CD1-CE2 4.29Å; L325-F329 HydrophobicContact CD2-CE2 4.3Å; L325-F329 HydrophobicContact CG-CE2 4.46Å; L325-I337 HydrophobicContact CD1-CD1 4.43Å; L325-I337 HydrophobicContact CD1-CG2 4.37Å; L325-L351 HydrophobicContact CD1-CD1 3.79Å; L325-L351 HydrophobicContact CG-CD1 4.06Å; L325-V354 HydrophobicContact CD1-CB 4.49Å; L325-V354 HydrophobicContact CD1-CG1 3.53Å; L325-M358 HydrophobicContact CD1-SD 4.04Å; L325-M358 HydrophobicContact CD2-CE 4.02Å; L325-M358 HydrophobicContact CD2-SD 3.6Å; L325-M358 VanDerWaalsContact CD2-SD 3.6Å; L325-M358 HydrophobicContact CG-SD 4.49Å
326S95Very high94.7Very high12 Ų1229.7 Ų29.78%0.08415%0.147CC..THydrogen-bonded Turntrans-66.8-20.2-173.864.30000115.2E233 L323 L324E233-S326 VanDerWaalsContact CB-OG 3.26Å; E233-S326 WeakPolarHBondContact CB-OG 3.14Å; E233-S326 WeakPolarHBondContact O-CB 3.3Å; E233-S326 PolarHBondContact O-OG 3.35Å; E233-S326 VanDerWaalsContact O-OG 3.11Å; L323-S326 WeakPolarHBondContact O-CB 3.47Å; L323-S326 PolarHBondContact O-N 3.47Å; L323-S326 PolarHBondContact O-OG 3.45Å; L324-S326 PolarHBondContact O-N 3.37Å
327Q92.9Very high94.9Very high82 Ų8229.6 Ų29.638%0.38315%0.147SC..THydrogen-bonded Turntrans-95.3-0.6173.8-69-163.77.300114.4E233 R319 L323 L325E233-Q327 HydrophobicContact CG-CG 3.95Å; R319-Q327 VanDerWaalsContact CD-OE1 3.23Å; R319-Q327 HydrophobicContact CG-CB 4.39Å; R319-Q327 VanDerWaalsContact NH1-CB 3.35Å; R319-Q327 PolarHBondContact NH1-O 2.75Å; L323-Q327 HydrophobicContact CD1-CB 4.35Å; L323-Q327 VanDerWaalsContact CD1-CD 3.49Å; L323-Q327 HydrophobicContact CD1-CG 3.63Å; L325-Q327 PolarHBondContact O-N 2.82Å
328E93.5Very high95.1Very high23 Ų2329.6 Ų29.611%0.10715%0.147CC..THydrogen-bonded Turntrans-97-23178.2-49.1-48.5138.200112.5R319 W320 L325R319-E328 VanDerWaalsContact CZ-CD 3.4Å; R319-E328 IonicContact CZ-OE1 2.66Å; R319-E328 IonicContact CZ-OE2 2.94Å; R319-E328 IonicContact NE-OE1 3.53Å; R319-E328 PolarHBondContact NE-OE1 3.1Å; R319-E328 IonicContact NH1-OE1 2.97Å; R319-E328 PolarHBondContact NH1-OE1 2.98Å; R319-E328 IonicContact NH1-OE2 3.79Å; R319-E328 IonicContact NH2-OE1 2.94Å; R319-E328 PolarHBondContact NH2-OE1 3.11Å; R319-E328 IonicContact NH2-OE2 3.85Å; R319-E328 PolarHBondContact NH2-OE2 3.45Å; W320-E328 HydrophobicContact CG-CG 4.15Å; W320-E328 PolarHBondContact NE1-OE1 2.75Å; W320-E328 PolarHBondContact NE1-OE2 3.46Å; L325-E328 HydrophobicContact CD2-CG 3.9Å; L325-E328 PolarHBondContact O-N 3.25Å
329F95Very high95.4Very high20 Ų2025 Ų259%0.08813%0.127CC..SBendtrans-130.6156-172.4-59.3-75.4000111.3L325 D333 V334 I337 M358 Y381 V386 I389L325-F329 HydrophobicContact CB-CD2 4Å; L325-F329 HydrophobicContact CB-CE2 4.06Å; L325-F329 HydrophobicContact CD1-CE2 4.29Å; L325-F329 HydrophobicContact CD2-CE2 4.3Å; L325-F329 HydrophobicContact CG-CE2 4.46Å; F329-D333 HydrophobicContact CB-CB 3.9Å; F329-V334 HydrophobicContact CB-CG2 3.92Å; F329-V334 VanDerWaalsContact O-CG2 3.29Å; F329-V334 WeakPolarHBondContact O-CG2 3.39Å; F329-I337 HydrophobicContact CD2-CD1 3.44Å; F329-I337 VanDerWaalsContact CD2-CD1 3.44Å; F329-I337 HydrophobicContact CE2-CD1 3.66Å; F329-I337 HydrophobicContact CG-CD1 4.04Å; F329-I337 HydrophobicContact CZ-CD1 4.41Å; F329-M358 HydrophobicContact CE2-CE 3.95Å; F329-M358 HydrophobicContact CE2-SD 4.13Å; F329-M358 HydrophobicContact CZ-CE 3.73Å; F329-M358 HydrophobicContact CZ-SD 4.11Å; F329-Y381 AromaticContact CE1-CD1 3.9Å; F329-Y381 HydrophobicContact CE1-CD1 3.9Å; F329-Y381 HydrophobicContact CE1-CE1 4.36Å; F329-Y381 AromaticContact CZ-CD1 3.9Å; F329-Y381 HydrophobicContact CZ-CD1 3.9Å; F329-Y381 HydrophobicContact CZ-CE1 4.22Å; F329-V386 HydrophobicContact CD1-CG1 3.58Å; F329-V386 HydrophobicContact CE1-CG1 3.77Å; F329-V386 HydrophobicContact CG-CG1 4Å; F329-V386 HydrophobicContact CZ-CG1 4.35Å; F329-I389 HydrophobicContact CE1-CD1 3.65Å; F329-I389 HydrophobicContact CZ-CD1 3.45Å; F329-I389 VanDerWaalsContact CZ-CD1 3.45Å
330L94.4Very high95.8Very high99 Ų9922 Ų2252%0.51812%0.115SC..  trans-66.6153.9173.3-63.6176.1000110.5D133 P332 D333 V334D133-L330 HydrophobicContact CB-CD2 4.31Å; L330-P332 VanDerWaalsContact C-CD 3.44Å; L330-P332 VanDerWaalsContact O-N 3.15Å; L330-D333 WeakPolarHBondContact O-CA 3.31Å; L330-D333 WeakPolarHBondContact O-CB 3.36Å; L330-D333 PolarHBondContact O-N 3.39Å; L330-V334 WeakPolarHBondContact O-CG2 3.45Å; L330-V334 PolarHBondContact O-N 3.11Å
331L95.4Very high95.9Very high15 Ų1522.3 Ų22.38%0.07912%0.117CC..Hα-helixtrans-50.6-43.9-173.5-179.463.2000115.2I134 P237 Y240 D333 V334 I335I134-L331 HydrophobicContact CD1-CD2 3.35Å; P237-L331 HydrophobicContact CB-CD1 3.67Å; P237-L331 HydrophobicContact CG-CD1 3.7Å; Y240-L331 HydrophobicContact CD1-CD2 3.78Å; Y240-L331 HydrophobicContact CD1-CG 4.49Å; Y240-L331 HydrophobicContact CD2-CD2 3.71Å; Y240-L331 HydrophobicContact CE1-CD2 4.16Å; Y240-L331 HydrophobicContact CE2-CD2 4.09Å; Y240-L331 HydrophobicContact CG-CD2 3.53Å; L331-D333 PolarHBondContact O-N 3Å; L331-V334 PolarHBondContact O-N 3.07Å; L331-I335 HydrophobicContact CD1-CD1 4.01Å; L331-I335 HydrophobicContact CD1-CG1 4.07Å; L331-I335 HydrophobicContact CD2-CD1 4.48Å; L331-I335 HydrophobicContact CG-CD1 3.87Å; L331-I335 HydrophobicContact CG-CG1 4.38Å; L331-I335 VanDerWaalsContact O-CG1 3.27Å; L331-I335 WeakPolarHBondContact O-CG1 3.39Å; L331-I335 PolarHBondContact O-N 3.22Å
332P95Very high96Very high86 Ų8622.2 Ų22.256%0.55812%0.116SC*.Hα-helixtrans-59.2-36.4177.3-2435.5000113.3L330 R336L330-P332 VanDerWaalsContact C-CD 3.44Å; L330-P332 VanDerWaalsContact O-N 3.15Å; P332-R336 PolarHBondContact O-N 3.33Å
333D96.1Very high96.3Very high46 Ų4622.1 Ų22.125%0.24612%0.116CC..Hα-helixtrans-76.3-39-179.5-65.6-36.5000111.2F329 L330 L331 I335 R336 I337 V386F329-D333 HydrophobicContact CB-CB 3.9Å; L330-D333 WeakPolarHBondContact O-CA 3.31Å; L330-D333 WeakPolarHBondContact O-CB 3.36Å; L330-D333 PolarHBondContact O-N 3.39Å; L331-D333 PolarHBondContact O-N 3Å; D333-I335 VanDerWaalsContact C-N 3.34Å; D333-I335 PolarHBondContact O-N 3.08Å; D333-R336 PolarHBondContact O-N 3.21Å; D333-I337 WeakPolarHBondContact O-CG1 3.46Å; D333-I337 PolarHBondContact O-N 2.89Å; D333-V386 HydrophobicContact CB-CG1 3.69Å; D333-V386 HydrophobicContact CB-CG2 4.02Å
334V97Very high96.4Very high2 Ų222.5 Ų22.51%0.01212%0.118CC..Hα-helixtrans-57.8-48.6170.4177.40000110.4P237 F329 L330 L331 R336 I337 W338P237-V334 HydrophobicContact CB-CG1 4.37Å; P237-V334 HydrophobicContact CG-CG1 3.98Å; F329-V334 HydrophobicContact CB-CG2 3.92Å; F329-V334 VanDerWaalsContact O-CG2 3.29Å; F329-V334 WeakPolarHBondContact O-CG2 3.39Å; L330-V334 WeakPolarHBondContact O-CG2 3.45Å; L330-V334 PolarHBondContact O-N 3.11Å; L331-V334 PolarHBondContact O-N 3.07Å; V334-R336 VanDerWaalsContact C-N 3.28Å; V334-R336 PolarHBondContact O-N 2.96Å; V334-I337 PolarHBondContact O-N 3.05Å; V334-W338 HydrophobicContact CG1-CD2 4.24Å; V334-W338 HydrophobicContact CG1-CG 4.39Å; V334-W338 HydrophobicContact CG1-CZ2 4.23Å; V334-W338 WeakPolarHBondContact O-CB 3.45Å; V334-W338 VanDerWaalsContact O-CG 3.29Å; V334-W338 PolarHBondContact O-N 3.4Å
335I97.2Very high96.2Very high9 Ų926.6 Ų26.65%0.04614%0.14CC..Hα-helixtrans-58.3-42.9176.6-70.3169.2000110.5W45 P237 Y240 L331 D333 W338 D339W45-I335 HydrophobicContact CH2-CB 4.32Å; W45-I335 HydrophobicContact CH2-CG1 4.08Å; W45-I335 HydrophobicContact CH2-CG2 4.08Å; W45-I335 HydrophobicContact CZ2-CB 4.42Å; W45-I335 HydrophobicContact CZ2-CG2 3.86Å; P237-I335 HydrophobicContact CB-CG1 4.45Å; Y240-I335 HydrophobicContact CD1-CD1 3.62Å; Y240-I335 HydrophobicContact CE1-CD1 3.89Å; L331-I335 HydrophobicContact CD1-CD1 4.01Å; L331-I335 HydrophobicContact CD1-CG1 4.07Å; L331-I335 HydrophobicContact CD2-CD1 4.48Å; L331-I335 HydrophobicContact CG-CD1 3.87Å; L331-I335 HydrophobicContact CG-CG1 4.38Å; L331-I335 VanDerWaalsContact O-CG1 3.27Å; L331-I335 WeakPolarHBondContact O-CG1 3.39Å; L331-I335 PolarHBondContact O-N 3.22Å; D333-I335 VanDerWaalsContact C-N 3.34Å; D333-I335 PolarHBondContact O-N 3.08Å; I335-W338 PolarHBondContact O-N 2.89Å; I335-D339 PolarHBondContact O-N 2.84Å
336R97.3Very high96.1Very high45 Ų4531.4 Ų31.417%0.1717%0.166CC..Hα-helixtrans-63.6-44.5176.5175.360.8-166.9891.5111.8F31 S32 P332 D333 V334 W338 D339 S340 V386 L390F31-R336 PolarHBondContact O-NH2 3.37Å; S32-R336 PolarHBondContact O-NH2 2.85Å; P332-R336 PolarHBondContact O-N 3.33Å; D333-R336 PolarHBondContact O-N 3.21Å; V334-R336 VanDerWaalsContact C-N 3.28Å; V334-R336 PolarHBondContact O-N 2.96Å; R336-W338 PolarHBondContact O-N 3.39Å; R336-D339 WeakPolarHBondContact O-CB 3.45Å; R336-D339 PolarHBondContact O-N 2.94Å; R336-S340 PolarHBondContact NH1-OG 3Å; R336-V386 HydrophobicContact CB-CG2 4.18Å; R336-V386 HydrophobicContact CG-CG2 3.95Å; R336-L390 HydrophobicContact CG-CD1 4.34Å
337I98Very high96.1Very high1 Ų131.4 Ų31.41%0.00516%0.164CC..Hα-helixtrans-58.8-43.1175.4-70167000109.8L325 F329 D333 V334 D339 S340 L341 V386 L390L325-I337 HydrophobicContact CD1-CD1 4.43Å; L325-I337 HydrophobicContact CD1-CG2 4.37Å; F329-I337 HydrophobicContact CD2-CD1 3.44Å; F329-I337 VanDerWaalsContact CD2-CD1 3.44Å; F329-I337 HydrophobicContact CE2-CD1 3.66Å; F329-I337 HydrophobicContact CG-CD1 4.04Å; F329-I337 HydrophobicContact CZ-CD1 4.41Å; D333-I337 WeakPolarHBondContact O-CG1 3.46Å; D333-I337 PolarHBondContact O-N 2.89Å; V334-I337 PolarHBondContact O-N 3.05Å; I337-D339 VanDerWaalsContact C-N 3.34Å; I337-D339 PolarHBondContact O-N 3.23Å; I337-S340 WeakPolarHBondContact O-CB 3.46Å; I337-S340 PolarHBondContact O-N 3.43Å; I337-L341 HydrophobicContact CG2-CD1 3.76Å; I337-L341 HydrophobicContact CG2-CG 4.02Å; I337-L341 WeakPolarHBondContact O-CG 3.46Å; I337-L341 PolarHBondContact O-N 3.29Å; I337-V386 HydrophobicContact CD1-CB 4.17Å; I337-V386 HydrophobicContact CD1-CG1 3.77Å; I337-V386 HydrophobicContact CG1-CB 4Å; I337-V386 HydrophobicContact CG1-CG1 4.14Å; I337-V386 HydrophobicContact CG1-CG2 4.49Å; I337-L390 HydrophobicContact CG1-CD1 4.5Å
338W98.3Very high96.1Very high0 Ų029.6 Ų29.60%016%0.155CC..Hα-helixtrans-68.3-30.6-178-74.224.2000113.3W45 I234 P237 L238 L324 V334 I335 R336 S340 L341 F342W45-W338 HydrophobicContact CH2-CB 3.96Å; W45-W338 HydrophobicContact CH2-CD2 4.46Å; W45-W338 AromaticContact CH2-CE3 3.73Å; W45-W338 HydrophobicContact CH2-CE3 3.73Å; W45-W338 HydrophobicContact CZ2-CB 3.7Å; W45-W338 AromaticContact CZ3-CE3 3.97Å; W45-W338 HydrophobicContact CZ3-CE3 3.97Å; I234-W338 HydrophobicContact CB-CH2 4.49Å; I234-W338 HydrophobicContact CG2-CH2 4.08Å; I234-W338 WeakPolarHBondContact O-CH2 3.35Å; P237-W338 HydrophobicContact CB-CE3 4.07Å; P237-W338 HydrophobicContact CB-CH2 4.04Å; P237-W338 HydrophobicContact CB-CZ3 3.73Å; P237-W338 HydrophobicContact CG-CH2 3.97Å; P237-W338 HydrophobicContact CG-CZ2 4.32Å; P237-W338 HydrophobicContact CG-CZ3 4.19Å; L238-W338 HydrophobicContact CD2-CE3 4.25Å; L238-W338 HydrophobicContact CD2-CZ3 3.84Å; L238-W338 HydrophobicContact CG-CZ3 3.92Å; L324-W338 HydrophobicContact CB-CZ2 3.96Å; L324-W338 HydrophobicContact CD1-CZ2 4.08Å; L324-W338 PolarHBondContact O-NE1 3.48Å; V334-W338 HydrophobicContact CG1-CD2 4.24Å; V334-W338 HydrophobicContact CG1-CG 4.39Å; V334-W338 HydrophobicContact CG1-CZ2 4.23Å; V334-W338 WeakPolarHBondContact O-CB 3.45Å; V334-W338 VanDerWaalsContact O-CG 3.29Å; V334-W338 PolarHBondContact O-N 3.4Å; I335-W338 PolarHBondContact O-N 2.89Å; R336-W338 PolarHBondContact O-N 3.39Å; W338-S340 PolarHBondContact O-N 3.23Å; W338-L341 PolarHBondContact O-N 2.76Å; W338-F342 HydrophobicContact CB-CD2 4.3Å; W338-F342 HydrophobicContact CB-CE2 3.94Å; W338-F342 HydrophobicContact CB-CZ 4.16Å; W338-F342 HydrophobicContact CD2-CE2 4.25Å; W338-F342 AromaticContact CD2-CZ 3.83Å; W338-F342 HydrophobicContact CD2-CZ 3.83Å; W338-F342 HydrophobicContact CE3-CE1 4.46Å; W338-F342 AromaticContact CE3-CE2 3.66Å; W338-F342 HydrophobicContact CE3-CE2 3.66Å; W338-F342 AromaticContact CE3-CZ 3.37Å; W338-F342 HydrophobicContact CE3-CZ 3.37Å; W338-F342 HydrophobicContact CG-CE2 4.42Å; W338-F342 HydrophobicContact CG-CZ 4.2Å; W338-F342 HydrophobicContact CZ3-CE2 4.46Å; W338-F342 AromaticContact CZ3-CZ 3.96Å; W338-F342 HydrophobicContact CZ3-CZ 3.96Å; W338-F342 WeakPolarHBondContact O-CB 3.42Å; W338-F342 WeakPolarHBondContact O-CD2 3.19Å; W338-F342 VanDerWaalsContact O-CG 3.26Å; W338-F342 WeakPolarHBondContact O-CG 3.5Å; W338-F342 PolarHBondContact O-N 3.24Å
339D98.3Very high96.2Very high0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-55.1-43.4168.7-70.4-16.5000111I34 R41 W45 I335 R336 I337 A343I34-D339 HydrophobicContact CD1-CB 4.27Å; I34-D339 WeakPolarHBondContact CD1-OD1 3.45Å; I34-D339 HydrophobicContact CG1-CB 4.27Å; I34-D339 PolarHBondContact N-OD2 2.92Å; R41-D339 WeakPolarHBondContact CD-OD1 3.36Å; R41-D339 IonicContact NE-OD1 2.78Å; R41-D339 PolarHBondContact NE-OD1 2.97Å; R41-D339 IonicContact NE-OD2 3.8Å; R41-D339 PolarHBondContact NE-OD2 3.31Å; R41-D339 IonicContact NH2-OD2 2.82Å; W45-D339 PolarHBondContact NE1-OD1 2.79Å; I335-D339 PolarHBondContact O-N 2.84Å; R336-D339 WeakPolarHBondContact O-CB 3.45Å; R336-D339 PolarHBondContact O-N 2.94Å; I337-D339 VanDerWaalsContact C-N 3.34Å; I337-D339 PolarHBondContact O-N 3.23Å; D339-A343 WeakPolarHBondContact O-CB 3.42Å; D339-A343 PolarHBondContact O-N 3.13Å
340S98.1Very high96.3Very high0 Ų031.7 Ų31.70%017%0.168CC..Hα-helixtrans-73.8-43177.1-64.20000112.9F31 R336 I337 W338 A343 D344F31-S340 PolarHBondContact O-OG 3.36Å; R336-S340 PolarHBondContact NH1-OG 3Å; I337-S340 WeakPolarHBondContact O-CB 3.46Å; I337-S340 PolarHBondContact O-N 3.43Å; W338-S340 PolarHBondContact O-N 3.23Å; S340-A343 PolarHBondContact O-N 2.9Å; S340-D344 PolarHBondContact O-N 3.05Å; S340-D344 VanDerWaalsContact O-N 3.08Å
341L98.1Very high96.4Very high6 Ų627.2 Ų27.23%0.03114%0.144CC..Hα-helixtrans-61-51.1178.6-67.2175.6000110.5I337 W338 A343 D344 R347 F350 L351I337-L341 HydrophobicContact CG2-CD1 3.76Å; I337-L341 HydrophobicContact CG2-CG 4.02Å; I337-L341 WeakPolarHBondContact O-CG 3.46Å; I337-L341 PolarHBondContact O-N 3.29Å; W338-L341 PolarHBondContact O-N 2.76Å; L341-A343 PolarHBondContact O-N 3Å; L341-D344 PolarHBondContact O-N 2.64Å; L341-R347 WeakPolarHBondContact O-CB 3.39Å; L341-F350 HydrophobicContact CD2-CD1 3.99Å; L341-L351 HydrophobicContact CD1-CD1 4.21Å; L341-L351 HydrophobicContact CD2-CB 3.9Å; L341-L351 HydrophobicContact CD2-CD1 4.21Å
342F97.9Very high96.4Very high2 Ų227.1 Ų27.11%0.00914%0.144CC..Hα-helixtrans-67.2-29-177.4-60.9-22.2000112.7R27 W45 L48 L49 L238 L265 W338 R347R27-F342 PolarHBondContact NH1-O 3.01Å; R27-F342 VanDerWaalsContact NH1-O 3.12Å; W45-F342 AromaticContact CD2-CD2 3.93Å; W45-F342 HydrophobicContact CD2-CD2 3.93Å; W45-F342 AromaticContact CD2-CE2 3.85Å; W45-F342 HydrophobicContact CD2-CE2 3.85Å; W45-F342 AromaticContact CE2-CD2 3.9Å; W45-F342 AromaticContact CE2-CE2 3.96Å; W45-F342 HydrophobicContact CE3-CD2 4.49Å; W45-F342 AromaticContact CE3-CE2 3.96Å; W45-F342 HydrophobicContact CE3-CE2 3.96Å; W45-F342 HydrophobicContact CG-CD2 4.06Å; W45-F342 HydrophobicContact CG-CE2 4.38Å; W45-F342 HydrophobicContact CH2-CE2 4.26Å; W45-F342 HydrophobicContact CZ2-CD2 4.41Å; W45-F342 HydrophobicContact CZ2-CE2 4.17Å; W45-F342 HydrophobicContact CZ3-CE2 4.17Å; L48-F342 HydrophobicContact CB-CB 3.99Å; L48-F342 HydrophobicContact CD1-CB 4.14Å; L49-F342 HydrophobicContact CD1-CD2 4.34Å; L49-F342 HydrophobicContact CD1-CE2 3.97Å; L49-F342 HydrophobicContact CD1-CZ 4.23Å; L49-F342 HydrophobicContact CD2-CD1 3.78Å; L49-F342 HydrophobicContact CD2-CD2 4.24Å; L49-F342 HydrophobicContact CD2-CE1 3.76Å; L49-F342 HydrophobicContact CD2-CE2 4.21Å; L49-F342 HydrophobicContact CD2-CG 4.03Å; L49-F342 HydrophobicContact CD2-CZ 3.98Å; L49-F342 HydrophobicContact CG-CD2 4.27Å; L49-F342 HydrophobicContact CG-CE2 4.33Å; L49-F342 HydrophobicContact CG-CG 4.43Å; L238-F342 HydrophobicContact CD2-CE2 4.12Å; L238-F342 HydrophobicContact CD2-CZ 4.27Å; L265-F342 HydrophobicContact CD1-CE1 4.16Å; L265-F342 HydrophobicContact CD2-CE1 4.3Å; L265-F342 HydrophobicContact CD2-CZ 4.19Å; W338-F342 HydrophobicContact CB-CD2 4.3Å; W338-F342 HydrophobicContact CB-CE2 3.94Å; W338-F342 HydrophobicContact CB-CZ 4.16Å; W338-F342 HydrophobicContact CD2-CE2 4.25Å; W338-F342 AromaticContact CD2-CZ 3.83Å; W338-F342 HydrophobicContact CD2-CZ 3.83Å; W338-F342 HydrophobicContact CE3-CE1 4.46Å; W338-F342 AromaticContact CE3-CE2 3.66Å; W338-F342 HydrophobicContact CE3-CE2 3.66Å; W338-F342 AromaticContact CE3-CZ 3.37Å; W338-F342 HydrophobicContact CE3-CZ 3.37Å; W338-F342 HydrophobicContact CG-CE2 4.42Å; W338-F342 HydrophobicContact CG-CZ 4.2Å; W338-F342 HydrophobicContact CZ3-CE2 4.46Å; W338-F342 AromaticContact CZ3-CZ 3.96Å; W338-F342 HydrophobicContact CZ3-CZ 3.96Å; W338-F342 WeakPolarHBondContact O-CB 3.42Å; W338-F342 WeakPolarHBondContact O-CD2 3.19Å; W338-F342 VanDerWaalsContact O-CG 3.26Å; W338-F342 WeakPolarHBondContact O-CG 3.5Å; W338-F342 PolarHBondContact O-N 3.24Å; F342-R347 PolarHBondContact O-NH2 3.12Å; F342-R347 VanDerWaalsContact O-NH2 3.08Å
343A97.7Very high96.6Very high4 Ų423.2 Ų23.23%0.03312%0.118CC..Hα-helixtrans-72.1-29.1174.700000114.1R27 F31 D339 S340 L341R27-A343 VanDerWaalsContact CB-O 3.25Å; R27-A343 WeakPolarHBondContact CB-O 3.17Å; R27-A343 VanDerWaalsContact CD-O 3.25Å; R27-A343 WeakPolarHBondContact CD-O 3.36Å; R27-A343 WeakPolarHBondContact CG-O 3.43Å; R27-A343 PolarHBondContact NH1-O 3.2Å; R27-A343 WeakPolarHBondContact O-CB 3.41Å; F31-A343 HydrophobicContact CB-CB 3.98Å; F31-A343 HydrophobicContact CD2-CB 4.39Å; D339-A343 WeakPolarHBondContact O-CB 3.42Å; D339-A343 PolarHBondContact O-N 3.13Å; S340-A343 PolarHBondContact O-N 2.9Å; L341-A343 PolarHBondContact O-N 3Å
344D96.8Very high96.6Very high16 Ų1621 Ų219%0.08611%0.106CC..SBendtrans-76.4139.7178.7-165.4-81.9000111.2R27 F31 S340 L341 N346 R347 F350 Q397R27-D344 VanDerWaalsContact NH1-C 3.35Å; R27-D344 PolarHBondContact NH1-O 2.91Å; R27-D344 VanDerWaalsContact NH1-O 3.11Å; F31-D344 HydrophobicContact CE2-CB 4.37Å; S340-D344 PolarHBondContact O-N 3.05Å; S340-D344 VanDerWaalsContact O-N 3.08Å; L341-D344 PolarHBondContact O-N 2.64Å; D344-N346 VanDerWaalsContact C-N 3.34Å; D344-N346 VanDerWaalsContact OD1-CA 3.25Å; D344-N346 WeakPolarHBondContact OD1-CA 3.36Å; D344-N346 PolarHBondContact OD1-N 3.43Å; D344-R347 PolarHBondContact OD1-N 3.41Å; D344-F350 HydrophobicContact CB-CB 4.25Å; D344-F350 HydrophobicContact CB-CD1 4.38Å; D344-F350 HydrophobicContact CB-CG 4.41Å; D344-Q397 PolarHBondContact OD2-NE2 2.71Å
345D92.8Very high96.7Very high89 Ų8920.9 Ų20.948%0.47611%0.106SC..THydrogen-bonded Turntrans-70.8-31.6177.3-72.9-47.9000112.4R27R27-D345 WeakPolarHBondContact CD-OD1 3.5Å; R27-D345 IonicContact CZ-OD1 2.85Å; R27-D345 IonicContact NE-OD1 3.55Å; R27-D345 PolarHBondContact NE-OD1 3.34Å; R27-D345 IonicContact NH1-OD1 3.47Å; R27-D345 IonicContact NH2-OD1 3.23Å; R27-D345 PolarHBondContact NH2-OD1 3.3Å
346N94.1Very high96.7Very high102 Ų10220.5 Ų20.555%0.54510%0.103SC..THydrogen-bonded Turntrans-109.945.8177.8-58.6-77.6000109.7D344 F348 D349 F350D344-N346 VanDerWaalsContact C-N 3.34Å; D344-N346 VanDerWaalsContact OD1-CA 3.25Å; D344-N346 WeakPolarHBondContact OD1-CA 3.36Å; D344-N346 PolarHBondContact OD1-N 3.43Å; N346-F348 PolarHBondContact O-N 2.86Å; N346-D349 HydrophobicContact CB-CB 4.18Å; N346-D349 WeakPolarHBondContact O-CA 3.32Å; N346-D349 WeakPolarHBondContact O-CB 3.4Å; N346-D349 PolarHBondContact O-N 2.75Å; N346-F350 PolarHBondContact O-N 3.18Å
347R94.9Very high96.7Very high12 Ų1218.3 Ų18.35%0.04510%0.095CC..Hα-helixtrans-45.7-36.8-172.464.5-176.460.5151.5-13115.9L48 E268 L341 F342 D344 L351L48-R347 PolarHBondContact O-NH2 3.43Å; E268-R347 IonicContact OE1-NH1 2.86Å; E268-R347 PolarHBondContact OE1-NH1 2.75Å; E268-R347 IonicContact OE2-CZ 3.01Å; E268-R347 IonicContact OE2-NH1 2.81Å; E268-R347 PolarHBondContact OE2-NH1 3.4Å; L341-R347 WeakPolarHBondContact O-CB 3.39Å; F342-R347 PolarHBondContact O-NH2 3.12Å; F342-R347 VanDerWaalsContact O-NH2 3.08Å; D344-R347 PolarHBondContact OD1-N 3.41Å; R347-L351 WeakPolarHBondContact O-CB 3.27Å; R347-L351 PolarHBondContact O-N 2.94Å
348F93.3Very high96.7Very high45 Ų4518.3 Ų18.320%0.19710%0.095CC..Hα-helixtrans-80.4-30.6179.8-55.2-60.3000112.9L265 E268 I269 L324 N346 L351 L352L265-F348 HydrophobicContact CD1-CZ 4.39Å; E268-F348 HydrophobicContact CB-CE2 3.67Å; E268-F348 HydrophobicContact CB-CZ 3.78Å; E268-F348 HydrophobicContact CG-CE2 4.47Å; E268-F348 WeakPolarHBondContact OE2-CE2 3.09Å; I269-F348 HydrophobicContact CG2-CD1 4.02Å; I269-F348 HydrophobicContact CG2-CE1 3.14Å; I269-F348 HydrophobicContact CG2-CE2 4.25Å; I269-F348 HydrophobicContact CG2-CZ 3.29Å; L324-F348 HydrophobicContact CD2-CD1 4.4Å; L324-F348 HydrophobicContact CD2-CE1 4.18Å; N346-F348 PolarHBondContact O-N 2.86Å; F348-L351 WeakPolarHBondContact O-CB 3.4Å; F348-L351 PolarHBondContact O-N 2.99Å; F348-L352 WeakPolarHBondContact O-CG 3.49Å; F348-L352 PolarHBondContact O-N 3.29Å
349D94Very high96.6Very high86 Ų8618.3 Ų18.346%0.4610%0.095SC..Hα-helixtrans-70.1-38.3168.3-73-25.4000110.6N346 L351 L352 L353N346-D349 HydrophobicContact CB-CB 4.18Å; N346-D349 WeakPolarHBondContact O-CA 3.32Å; N346-D349 WeakPolarHBondContact O-CB 3.4Å; N346-D349 PolarHBondContact O-N 2.75Å; D349-L351 VanDerWaalsContact C-N 3.31Å; D349-L351 PolarHBondContact O-N 3.49Å; D349-L352 WeakPolarHBondContact O-CB 3.27Å; D349-L352 PolarHBondContact O-N 3.23Å; D349-L353 PolarHBondContact O-N 2.71Å
350F97Very high96.6Very high1 Ų119.6 Ų19.60%0.00410%0.102CC..Hα-helixtrans-62.6-39.3172.9-172.9-116.3000111.2F31 L341 D344 N346 L352 L353 V354 L390 A393F31-F350 HydrophobicContact CE2-CD1 4.22Å; F31-F350 AromaticContact CE2-CE1 3.75Å; F31-F350 HydrophobicContact CE2-CE1 3.75Å; F31-F350 HydrophobicContact CE2-CE2 4.23Å; F31-F350 AromaticContact CE2-CZ 3.77Å; F31-F350 HydrophobicContact CE2-CZ 3.77Å; F31-F350 AromaticContact CZ-CE1 3.92Å; F31-F350 HydrophobicContact CZ-CE1 3.92Å; F31-F350 AromaticContact CZ-CE2 3.89Å; F31-F350 HydrophobicContact CZ-CE2 3.89Å; F31-F350 AromaticContact CZ-CZ 3.46Å; F31-F350 HydrophobicContact CZ-CZ 3.46Å; F31-F350 VanDerWaalsContact CZ-CZ 3.46Å; L341-F350 HydrophobicContact CD2-CD1 3.99Å; D344-F350 HydrophobicContact CB-CB 4.25Å; D344-F350 HydrophobicContact CB-CD1 4.38Å; D344-F350 HydrophobicContact CB-CG 4.41Å; N346-F350 PolarHBondContact O-N 3.18Å; F350-L352 VanDerWaalsContact C-N 3.3Å; F350-L352 PolarHBondContact O-N 3.08Å; F350-L353 HydrophobicContact CD2-CD1 4.36Å; F350-L353 CarbonylContact O-C 3.59Å; F350-L353 WeakPolarHBondContact O-CA 3.4Å; F350-L353 WeakPolarHBondContact O-CB 3.25Å; F350-L353 PolarHBondContact O-N 3.37Å; F350-V354 HydrophobicContact CD1-CG2 4.14Å; F350-V354 HydrophobicContact CE1-CG2 3.81Å; F350-V354 HydrophobicContact CZ-CG2 4.06Å; F350-V354 WeakPolarHBondContact O-CG2 3.49Å; F350-V354 PolarHBondContact O-N 3.12Å; F350-L390 HydrophobicContact CE1-CD2 4.17Å; F350-L390 HydrophobicContact CZ-CD2 4.47Å; F350-A393 HydrophobicContact CE2-CB 3.81Å; F350-A393 HydrophobicContact CZ-CB 3.85Å
351L97.1Very high96.5Very high5 Ų521.6 Ų21.63%0.02611%0.112CC..Hα-helixtrans-57.1-40.3172.1-179.263.5000112.5L321 L324 L325 L341 R347 F348 D349 L353 V354 C355L321-L351 HydrophobicContact CD2-CD2 3.97Å; L321-L351 HydrophobicContact CD2-CG 3.88Å; L324-L351 HydrophobicContact CD2-CD2 3.57Å; L325-L351 HydrophobicContact CD1-CD1 3.79Å; L325-L351 HydrophobicContact CG-CD1 4.06Å; L341-L351 HydrophobicContact CD1-CD1 4.21Å; L341-L351 HydrophobicContact CD2-CB 3.9Å; L341-L351 HydrophobicContact CD2-CD1 4.21Å; R347-L351 WeakPolarHBondContact O-CB 3.27Å; R347-L351 PolarHBondContact O-N 2.94Å; F348-L351 WeakPolarHBondContact O-CB 3.4Å; F348-L351 PolarHBondContact O-N 2.99Å; D349-L351 VanDerWaalsContact C-N 3.31Å; D349-L351 PolarHBondContact O-N 3.49Å; L351-L353 VanDerWaalsContact C-N 3.27Å; L351-L353 PolarHBondContact O-N 3.45Å; L351-V354 WeakPolarHBondContact O-CB 3.45Å; L351-V354 PolarHBondContact O-N 3.24Å; L351-C355 PolarHBondContact O-N 3.26Å; L351-C355 PolarHBondContact O-SG 2.87Å; L351-C355 VanDerWaalsContact O-SG 3.38Å
352L96.5Very high96.5Very high12 Ų1221.3 Ų21.36%0.06311%0.11CC..Hα-helixtrans-61.6-38.5174.9-52.9-176.7000111.6K287 K290 V291 L321 F348 D349 F350 C355 C356K287-L352 HydrophobicContact CB-CD2 4.11Å; K290-L352 HydrophobicContact CB-CD1 3.9Å; K290-L352 HydrophobicContact CG-CD1 3.52Å; V291-L352 HydrophobicContact CG2-CB 4.22Å; V291-L352 HydrophobicContact CG2-CD2 3.95Å; L321-L352 HydrophobicContact CD1-CD2 4.1Å; L321-L352 HydrophobicContact CD2-CD2 3.64Å; F348-L352 WeakPolarHBondContact O-CG 3.49Å; F348-L352 PolarHBondContact O-N 3.29Å; D349-L352 WeakPolarHBondContact O-CB 3.27Å; D349-L352 PolarHBondContact O-N 3.23Å; F350-L352 VanDerWaalsContact C-N 3.3Å; F350-L352 PolarHBondContact O-N 3.08Å; L352-C355 PolarHBondContact O-N 3Å; L352-C356 WeakPolarHBondContact O-CB 3.41Å; L352-C356 PolarHBondContact O-N 3.37Å
353L97.3Very high96.4Very high4 Ų424.5 Ų24.52%0.02112%0.123CC..Hα-helixtrans-68.5-37.1175.3-60.7177.6000111.9T294 D349 F350 L351 C356 A357 A393 L396 Q397T294-L353 HydrophobicContact CG2-CD2 3.98Å; D349-L353 PolarHBondContact O-N 2.71Å; F350-L353 HydrophobicContact CD2-CD1 4.36Å; F350-L353 CarbonylContact O-C 3.59Å; F350-L353 WeakPolarHBondContact O-CA 3.4Å; F350-L353 WeakPolarHBondContact O-CB 3.25Å; F350-L353 PolarHBondContact O-N 3.37Å; L351-L353 VanDerWaalsContact C-N 3.27Å; L351-L353 PolarHBondContact O-N 3.45Å; L353-C356 PolarHBondContact O-N 2.91Å; L353-A357 VanDerWaalsContact O-CB 3.27Å; L353-A357 WeakPolarHBondContact O-CB 3.45Å; L353-A357 PolarHBondContact O-N 3.45Å; L353-A393 HydrophobicContact CB-CB 4.42Å; L353-L396 HydrophobicContact CD2-CB 4.25Å; L353-Q397 HydrophobicContact CD1-CB 3.57Å; L353-Q397 HydrophobicContact CD1-CG 3.88Å
354V97.9Very high96.4Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-61.1-48.2172.4176.20000110.3L325 F350 L351 C356 A357 M358 I389 L390 A393L325-V354 HydrophobicContact CD1-CB 4.49Å; L325-V354 HydrophobicContact CD1-CG1 3.53Å; F350-V354 HydrophobicContact CD1-CG2 4.14Å; F350-V354 HydrophobicContact CE1-CG2 3.81Å; F350-V354 HydrophobicContact CZ-CG2 4.06Å; F350-V354 WeakPolarHBondContact O-CG2 3.49Å; F350-V354 PolarHBondContact O-N 3.12Å; L351-V354 WeakPolarHBondContact O-CB 3.45Å; L351-V354 PolarHBondContact O-N 3.24Å; V354-C356 VanDerWaalsContact C-N 3.32Å; V354-C356 PolarHBondContact O-N 2.74Å; V354-A357 WeakPolarHBondContact O-CB 2.92Å; V354-A357 PolarHBondContact O-N 3.2Å; V354-M358 HydrophobicContact CG1-SD 4.49Å; V354-M358 WeakPolarHBondContact O-CG 3.17Å; V354-M358 PolarHBondContact O-N 3.38Å; V354-I389 HydrophobicContact CG1-CG2 3.88Å; V354-L390 HydrophobicContact CG2-CD2 4.15Å; V354-A393 HydrophobicContact CB-CB 4.3Å; V354-A393 HydrophobicContact CG2-CB 3.68Å
355C97.5Very high96.4Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-61.8-38.9175.9-65.70000112.5V291 W320 L321 L351 L352 M358 L359V291-C355 HydrophobicContact CG1-CB 4.08Å; V291-C355 HydrophobicContact CG2-CB 4.05Å; W320-C355 HydrophobicContact CE3-CB 3.96Å; W320-C355 HydrophobicContact CZ3-CB 4.43Å; L321-C355 VanDerWaalsContact CD2-SG 3.57Å; L351-C355 PolarHBondContact O-N 3.26Å; L351-C355 PolarHBondContact O-SG 2.87Å; L351-C355 VanDerWaalsContact O-SG 3.38Å; L352-C355 PolarHBondContact O-N 3Å; C355-M358 WeakPolarHBondContact O-CB 2.94Å; C355-M358 PolarHBondContact O-N 3.1Å; C355-L359 PolarHBondContact O-N 3Å
356C97.3Very high96.6Very high0 Ų028.3 Ų28.30%014%0.136CC..Hα-helixtrans-66.6-43.1175.3-172.80000111.7T294 L352 L353 V354 M358 L359 M360 L396T294-C356 HydrophobicContact CG2-CB 4.32Å; L352-C356 WeakPolarHBondContact O-CB 3.41Å; L352-C356 PolarHBondContact O-N 3.37Å; L353-C356 PolarHBondContact O-N 2.91Å; V354-C356 VanDerWaalsContact C-N 3.32Å; V354-C356 PolarHBondContact O-N 2.74Å; C356-M358 VanDerWaalsContact C-N 3.28Å; C356-M358 PolarHBondContact O-N 3.11Å; C356-L359 WeakPolarHBondContact O-CB 3.4Å; C356-L359 PolarHBondContact O-N 2.68Å; C356-L359 VanDerWaalsContact O-N 3.16Å; C356-M360 WeakPolarHBondContact O-CG 3.37Å; C356-M360 PolarHBondContact O-N 3.35Å; C356-M360 VanDerWaalsContact O-N 3.07Å; C356-L396 HydrophobicContact CB-CD1 4.27Å
357A97.7Very high96.8Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-59.2-40.4174.500000111.7L353 V354 L359 M360 L361 I389 K392 A393 L396L353-A357 VanDerWaalsContact O-CB 3.27Å; L353-A357 WeakPolarHBondContact O-CB 3.45Å; L353-A357 PolarHBondContact O-N 3.45Å; V354-A357 WeakPolarHBondContact O-CB 2.92Å; V354-A357 PolarHBondContact O-N 3.2Å; A357-L359 VanDerWaalsContact C-N 3.31Å; A357-L359 PolarHBondContact O-N 3.23Å; A357-M360 PolarHBondContact O-N 3.27Å; A357-L361 VanDerWaalsContact O-CG 3.32Å; A357-L361 WeakPolarHBondContact O-CG 3.45Å; A357-L361 PolarHBondContact O-N 3.19Å; A357-I389 HydrophobicContact CB-CG2 4.45Å; A357-K392 HydrophobicContact CB-CB 3.88Å; A357-K392 HydrophobicContact CB-CG 3.79Å; A357-A393 HydrophobicContact CB-CB 4.03Å; A357-L396 HydrophobicContact CB-CD1 4.08Å
358M97.8Very high96.9Very high0 Ų032.5 Ų32.50%015%0.154CC..Hα-helixtrans-56.6-45.4175-73.6171.56800111.6W320 L325 F329 V354 C355 C356 Y381 I389W320-M358 HydrophobicContact CD2-CE 4.07Å; W320-M358 HydrophobicContact CE3-CE 4.09Å; W320-M358 HydrophobicContact CE3-SD 4.18Å; W320-M358 HydrophobicContact CH2-CB 4.1Å; W320-M358 HydrophobicContact CH2-CE 3.69Å; W320-M358 HydrophobicContact CH2-SD 4.5Å; W320-M358 HydrophobicContact CZ2-CE 3.64Å; W320-M358 HydrophobicContact CZ3-CB 3.93Å; W320-M358 HydrophobicContact CZ3-CE 3.91Å; W320-M358 HydrophobicContact CZ3-SD 4.15Å; L325-M358 HydrophobicContact CD1-SD 4.04Å; L325-M358 HydrophobicContact CD2-CE 4.02Å; L325-M358 HydrophobicContact CD2-SD 3.6Å; L325-M358 VanDerWaalsContact CD2-SD 3.6Å; L325-M358 HydrophobicContact CG-SD 4.49Å; F329-M358 HydrophobicContact CE2-CE 3.95Å; F329-M358 HydrophobicContact CE2-SD 4.13Å; F329-M358 HydrophobicContact CZ-CE 3.73Å; F329-M358 HydrophobicContact CZ-SD 4.11Å; V354-M358 HydrophobicContact CG1-SD 4.49Å; V354-M358 WeakPolarHBondContact O-CG 3.17Å; V354-M358 PolarHBondContact O-N 3.38Å; C355-M358 WeakPolarHBondContact O-CB 2.94Å; C355-M358 PolarHBondContact O-N 3.1Å; C356-M358 VanDerWaalsContact C-N 3.28Å; C356-M358 PolarHBondContact O-N 3.11Å; M358-Y381 VanDerWaalsContact C-OH 3.26Å; M358-Y381 WeakPolarHBondContact CA-OH 3.47Å; M358-Y381 HydrophobicContact CB-CE1 4.35Å; M358-Y381 HydrophobicContact CB-CE2 3.8Å; M358-Y381 HydrophobicContact CE-CD1 3.81Å; M358-Y381 HydrophobicContact CE-CD2 3.89Å; M358-Y381 HydrophobicContact CE-CE1 4Å; M358-Y381 HydrophobicContact CE-CE2 4.12Å; M358-Y381 HydrophobicContact CE-CG 3.75Å; M358-Y381 HydrophobicContact CG-CE1 4.13Å; M358-Y381 HydrophobicContact CG-CE2 4.41Å; M358-Y381 WeakPolarHBondContact O-CE2 3.34Å; M358-Y381 PolarHBondContact O-OH 2.9Å; M358-I389 HydrophobicContact CG-CD1 4.2Å; M358-I389 HydrophobicContact CG-CG2 3.54Å
359L97.5Very high97Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-62.9-46.3177-63.6174000111.9V291 L295 L302 F316 W320 C355 C356 A357 L361 I362 R363 L366 L378V291-L359 HydrophobicContact CG1-CD1 4.13Å; L295-L359 HydrophobicContact CD1-CB 4.32Å; L295-L359 HydrophobicContact CD2-CD1 3.94Å; L302-L359 HydrophobicContact CD2-CB 4.4Å; L302-L359 WeakPolarHBondContact CD2-O 3.34Å; F316-L359 HydrophobicContact CE2-CD1 4.18Å; F316-L359 HydrophobicContact CE2-CD2 3.84Å; F316-L359 HydrophobicContact CE2-CG 4.44Å; F316-L359 HydrophobicContact CZ-CD1 4.19Å; F316-L359 HydrophobicContact CZ-CD2 4.06Å; W320-L359 HydrophobicContact CH2-CD2 4.19Å; W320-L359 HydrophobicContact CZ3-CD2 4.27Å; W320-L359 HydrophobicContact CZ3-CG 4.38Å; C355-L359 PolarHBondContact O-N 3Å; C356-L359 WeakPolarHBondContact O-CB 3.4Å; C356-L359 PolarHBondContact O-N 2.68Å; C356-L359 VanDerWaalsContact O-N 3.16Å; A357-L359 VanDerWaalsContact C-N 3.31Å; A357-L359 PolarHBondContact O-N 3.23Å; L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 PolarHBondContact O-N 3.46Å; L359-I362 PolarHBondContact O-N 3.3Å; L359-R363 PolarHBondContact O-N 3.05Å; L359-L366 HydrophobicContact CD2-CD1 4.47Å; L359-L378 HydrophobicContact CD2-CD2 3.26Å
360M97.1Very high97.1Very high28 Ų2830.8 Ų30.814%0.13815%0.149CC..Hα-helixtrans-66.6-31-177.4-67.5178.472.200113.3L295 K298 D299 C356 A357 I362 R363 L396L295-M360 HydrophobicContact CD1-CG 3.94Å; K298-M360 HydrophobicContact CB-CE 4.38Å; K298-M360 HydrophobicContact CB-SD 4.18Å; D299-M360 HydrophobicContact CB-CE 4.34Å; D299-M360 HydrophobicContact CB-CG 4.48Å; C356-M360 WeakPolarHBondContact O-CG 3.37Å; C356-M360 PolarHBondContact O-N 3.35Å; C356-M360 VanDerWaalsContact O-N 3.07Å; A357-M360 PolarHBondContact O-N 3.27Å; M360-I362 VanDerWaalsContact C-N 3.31Å; M360-I362 PolarHBondContact O-N 3.21Å; M360-R363 VanDerWaalsContact O-CB 3.31Å; M360-R363 WeakPolarHBondContact O-CB 3.33Å; M360-R363 WeakPolarHBondContact O-CG 3.42Å; M360-R363 PolarHBondContact O-N 3.34Å; M360-L396 HydrophobicContact CE-CD2 4.33Å; M360-L396 HydrophobicContact SD-CD1 3.91Å; M360-L396 HydrophobicContact SD-CD2 3.87Å; M360-L396 HydrophobicContact SD-CG 4.46Å
361L97.3Very high97Very high41 Ų4135 Ų3522%0.21517%0.168CC..Hα-helixtrans-72.1-24.5-179.7-75.6171.5000113.6A357 L359 I383 Q388 I389 K392A357-L361 VanDerWaalsContact O-CG 3.32Å; A357-L361 WeakPolarHBondContact O-CG 3.45Å; A357-L361 PolarHBondContact O-N 3.19Å; L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 PolarHBondContact O-N 3.46Å; L361-I383 HydrophobicContact CB-CD1 3.49Å; L361-I383 VanDerWaalsContact CB-CD1 3.49Å; L361-I383 HydrophobicContact CD1-CD1 4.32Å; L361-I383 HydrophobicContact CG-CD1 4.44Å; L361-Q388 HydrophobicContact CD1-CG 4.27Å; L361-Q388 HydrophobicContact CD2-CG 4.04Å; L361-I389 HydrophobicContact CD1-CB 4.16Å; L361-I389 HydrophobicContact CD1-CG1 3.78Å; L361-K392 HydrophobicContact CD1-CB 4.27Å; L361-K392 HydrophobicContact CD2-CB 4.38Å; L361-K392 HydrophobicContact CD2-CG 4.36Å; L361-K392 HydrophobicContact CG-CB 4.37Å; L361-K392 HydrophobicContact CG-CG 4.28Å
362I96.9Very high97Very high0 Ų039 Ų390%019%0.192CC..THydrogen-bonded Turntrans-105.521.3175.463164.9000112.1L359 M360 E364 Q365 L366 L377 L378 Y381 P382 I383L359-I362 PolarHBondContact O-N 3.3Å; M360-I362 VanDerWaalsContact C-N 3.31Å; M360-I362 PolarHBondContact O-N 3.21Å; I362-E364 VanDerWaalsContact C-N 3.31Å; I362-E364 PolarHBondContact O-N 3.49Å; I362-Q365 VanDerWaalsContact CA-OE1 3.29Å; I362-Q365 PolarHBondContact O-N 2.77Å; I362-Q365 PolarHBondContact O-OE1 3.1Å; I362-Q365 VanDerWaalsContact O-OE1 3.11Å; I362-L366 HydrophobicContact CD1-CD1 3.84Å; I362-L366 HydrophobicContact CD1-CD2 4.12Å; I362-L366 HydrophobicContact CD1-CG 3.93Å; I362-L366 HydrophobicContact CG1-CD1 3.72Å; I362-L366 HydrophobicContact CG1-CG 3.97Å; I362-L366 WeakPolarHBondContact O-CG 3.3Å; I362-L366 PolarHBondContact O-N 3.29Å; I362-L377 HydrophobicContact CD1-CB 4.4Å; I362-L378 HydrophobicContact CD1-CD2 4.14Å; I362-Y381 HydrophobicContact CD1-CD2 4.17Å; I362-Y381 HydrophobicContact CD1-CE2 3.76Å; I362-Y381 HydrophobicContact CG1-CE2 4.07Å; I362-Y381 HydrophobicContact CG2-CE2 3.92Å; I362-P382 HydrophobicContact CG2-CG 3.63Å; I362-I383 HydrophobicContact CG2-CD1 3.74Å; I362-I383 HydrophobicContact CG2-CG1 3.97Å
363R97Very high97Very high70 Ų7041.9 Ų41.926%0.26421%0.21SC..Hα-helixtrans-56.6-42.7-172.373.1-171.3-57.5-97.5-0.5112.9D299 E301 L302 L359 M360 Q365 L366 L367D299-R363 IonicContact OD1-NH2 2.88Å; D299-R363 PolarHBondContact OD1-NH2 3.18Å; D299-R363 IonicContact OD2-CZ 2.73Å; D299-R363 VanDerWaalsContact OD2-CZ 3.31Å; D299-R363 IonicContact OD2-NE 3.01Å; D299-R363 PolarHBondContact OD2-NE 3.39Å; D299-R363 IonicContact OD2-NH2 3.59Å; D299-R363 PolarHBondContact OD2-NH2 2.83Å; E301-R363 IonicContact OE2-NH2 3.31Å; L302-R363 HydrophobicContact CD2-CB 3.8Å; L359-R363 PolarHBondContact O-N 3.05Å; M360-R363 VanDerWaalsContact O-CB 3.31Å; M360-R363 WeakPolarHBondContact O-CB 3.33Å; M360-R363 WeakPolarHBondContact O-CG 3.42Å; M360-R363 PolarHBondContact O-N 3.34Å; R363-Q365 VanDerWaalsContact C-N 3.34Å; R363-Q365 PolarHBondContact O-N 3.48Å; R363-L366 PolarHBondContact O-N 3.31Å; R363-L366 VanDerWaalsContact O-N 3.15Å; R363-L367 WeakPolarHBondContact O-CB 3.3Å; R363-L367 VanDerWaalsContact O-CG 3.28Å; R363-L367 WeakPolarHBondContact O-CG 3.41Å; R363-L367 PolarHBondContact O-N 2.95Å
364E97.3Very high97Very high101 Ų10141.7 Ų41.747%0.47221%0.209SC..Hα-helixtrans-64.4-43.7-175-57-57.3141.500110I362 L366 L367 E368I362-E364 VanDerWaalsContact C-N 3.31Å; I362-E364 PolarHBondContact O-N 3.49Å; E364-L366 VanDerWaalsContact C-N 3.34Å; E364-L366 PolarHBondContact O-N 3.23Å; E364-L367 PolarHBondContact O-N 3.46Å; E364-E368 WeakPolarHBondContact O-CG 3.47Å; E364-E368 PolarHBondContact O-N 3.08Å; E364-E368 VanDerWaalsContact O-N 3.13Å
365Q96.8Very high96.9Very high87 Ų8742.5 Ų42.541%0.40721%0.213SC..Hα-helixtrans-63.4-39.3174.8-59.392-31.900112.1I362 R363 G369 L377I362-Q365 VanDerWaalsContact CA-OE1 3.29Å; I362-Q365 PolarHBondContact O-N 2.77Å; I362-Q365 PolarHBondContact O-OE1 3.1Å; I362-Q365 VanDerWaalsContact O-OE1 3.11Å; R363-Q365 VanDerWaalsContact C-N 3.34Å; R363-Q365 PolarHBondContact O-N 3.48Å; Q365-G369 PolarHBondContact O-N 2.99Å; Q365-L377 HydrophobicContact CB-CD1 3.76Å
366L97.2Very high96.8Very high0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-70.9-35.5179.3-68.9177.8000112.9L302 L359 I362 R363 E364 N374 L377 L378L302-L366 HydrophobicContact CD1-CB 3.56Å; L302-L366 HydrophobicContact CD1-CD1 3.93Å; L302-L366 HydrophobicContact CD1-CG 4.42Å; L302-L366 HydrophobicContact CD2-CD1 4.29Å; L359-L366 HydrophobicContact CD2-CD1 4.47Å; I362-L366 HydrophobicContact CD1-CD1 3.84Å; I362-L366 HydrophobicContact CD1-CD2 4.12Å; I362-L366 HydrophobicContact CD1-CG 3.93Å; I362-L366 HydrophobicContact CG1-CD1 3.72Å; I362-L366 HydrophobicContact CG1-CG 3.97Å; I362-L366 WeakPolarHBondContact O-CG 3.3Å; I362-L366 PolarHBondContact O-N 3.29Å; R363-L366 PolarHBondContact O-N 3.31Å; R363-L366 VanDerWaalsContact O-N 3.15Å; E364-L366 VanDerWaalsContact C-N 3.34Å; E364-L366 PolarHBondContact O-N 3.23Å; L366-N374 WeakPolarHBondContact CA-OD1 2.84Å; L366-N374 HydrophobicContact CD2-CB 3.79Å; L366-N374 PolarHBondContact O-ND2 3.1Å; L366-L377 HydrophobicContact CD2-CD1 4.46Å; L366-L378 HydrophobicContact CD1-CD2 4.35Å; L366-L378 HydrophobicContact CD2-CD2 4.37Å; L366-L378 HydrophobicContact CD2-CG 4.24Å
367L97.4Very high96.7Very high34 Ų3452.6 Ų52.618%0.17825%0.254CS..Hα-helixtrans-68.9-39177.1-71.4175000111.7E301 L302 K305 R363 E364E301-L367 HydrophobicContact CG-CD2 4.05Å; L302-L367 HydrophobicContact CD1-CD2 4.26Å; L302-L367 HydrophobicContact CD1-CG 4.32Å; K305-L367 HydrophobicContact CB-CD2 3.84Å; K305-L367 WeakPolarHBondContact CE-O 3.39Å; K305-L367 HydrophobicContact CG-CD2 4.1Å; K305-L367 PolarHBondContact NZ-O 3.33Å; R363-L367 WeakPolarHBondContact O-CB 3.3Å; R363-L367 VanDerWaalsContact O-CG 3.28Å; R363-L367 WeakPolarHBondContact O-CG 3.41Å; R363-L367 PolarHBondContact O-N 2.95Å; E364-L367 PolarHBondContact O-N 3.46Å
368E96.8Very high96.6Very high168 Ų16852.6 Ų52.679%0.78525%0.254SS*.Hα-helixtrans-77.3-33.4177.7-68.3179.918000113E364E364-E368 WeakPolarHBondContact O-CG 3.47Å; E364-E368 PolarHBondContact O-N 3.08Å; E364-E368 VanDerWaalsContact O-N 3.13Å
369G95.1Very high96.4Very high9 Ų957.4 Ų57.49%0.09328%0.276CS..  trans-71160.8-174.400000115.2K305 Q309 Q365 N374K305-G369 WeakPolarHBondContact CE-O 3.24Å; K305-G369 PolarHBondContact NZ-O 3.29Å; Q309-G369 PolarHBondContact NE2-O 3.48Å; Q365-G369 PolarHBondContact O-N 2.99Å; G369-N374 WeakPolarHBondContact CA-OD1 3.35Å
370D95.7Very high96.2Very high86 Ų8663.2 Ų63.246%0.4631%0.307SS..  trans-93179167.67413.7000111.4Q309 T372 V373 N374Q309-D370 VanDerWaalsContact NE2-CA 3.29Å; D370-T372 VanDerWaalsContact C-N 3.25Å; D370-T372 PolarHBondContact O-N 3.07Å; D370-T372 PolarHBondContact OD1-N 3.07Å; D370-V373 PolarHBondContact O-N 2.98Å; D370-V373 WeakPolarHBondContact OD1-CG2 3.46Å; D370-V373 PolarHBondContact OD1-N 3.47Å; D370-N374 VanDerWaalsContact O-CB 3.25Å; D370-N374 WeakPolarHBondContact O-CB 3.41Å; D370-N374 VanDerWaalsContact O-CG 3.23Å; D370-N374 PolarHBondContact O-N 3.13Å
371F96.3Very high96.1Very high91 Ų9162.7 Ų62.740%0.39930%0.304SS..Hα-helixtrans-52.8-42.4178.9173.8-94.1000112.9Q309 I311 M375Q309-F371 VanDerWaalsContact O-CD2 3.25Å; Q309-F371 WeakPolarHBondContact O-CD2 3.4Å; I311-F371 HydrophobicContact CD1-CD2 4.36Å; I311-F371 HydrophobicContact CG1-CD2 3.63Å; I311-F371 HydrophobicContact CG1-CE2 3.93Å; F371-M375 HydrophobicContact CD1-CG 4.36Å; F371-M375 HydrophobicContact CD2-CG 4.24Å; F371-M375 HydrophobicContact CE1-CG 3.94Å; F371-M375 HydrophobicContact CE2-CG 3.82Å; F371-M375 HydrophobicContact CE2-SD 4.41Å; F371-M375 HydrophobicContact CZ-CG 3.65Å; F371-M375 HydrophobicContact CZ-SD 4.49Å; F371-M375 VanDerWaalsContact O-CB 3.27Å; F371-M375 WeakPolarHBondContact O-CB 3.1Å; F371-M375 VanDerWaalsContact O-CG 3.3Å; F371-M375 WeakPolarHBondContact O-CG 3.28Å; F371-M375 PolarHBondContact O-N 3.14Å
372T96Very high95.9Very high89 Ų8963.6 Ų63.655%0.54631%0.312SS..Hα-helixtrans-72.7-44.6-174.1-54.70000111D370 R376D370-T372 VanDerWaalsContact C-N 3.25Å; D370-T372 PolarHBondContact O-N 3.07Å; D370-T372 PolarHBondContact OD1-N 3.07Å; T372-R376 PolarHBondContact O-N 2.88Å; T372-R376 VanDerWaalsContact O-N 3.1Å
373V96.3Very high95.4Very high72 Ų7264.9 Ų64.944%0.43632%0.319SS..Hα-helixtrans-63-46.9177174.60000110.2D370 R376 L377D370-V373 PolarHBondContact O-N 2.98Å; D370-V373 WeakPolarHBondContact OD1-CG2 3.46Å; D370-V373 PolarHBondContact OD1-N 3.47Å; V373-R376 WeakPolarHBondContact O-CB 3.49Å; V373-R376 PolarHBondContact O-N 2.67Å; V373-L377 HydrophobicContact CG1-CD1 3.99Å; V373-L377 HydrophobicContact CG1-CG 4.44Å; V373-L377 WeakPolarHBondContact O-CG 3.4Å; V373-L377 PolarHBondContact O-N 3.41Å
374N97.3Very high94.8Very high0 Ų067.1 Ų67.10%034%0.34CS..Hα-helixtrans-66.2-41.2-178.5-71.5-5000111.9Q309 I311 L366 G369 D370 R376 L377 L378Q309-N374 PolarHBondContact OE1-ND2 3.27Å; I311-N374 HydrophobicContact CD1-CB 3.52Å; L366-N374 WeakPolarHBondContact CA-OD1 2.84Å; L366-N374 HydrophobicContact CD2-CB 3.79Å; L366-N374 PolarHBondContact O-ND2 3.1Å; G369-N374 WeakPolarHBondContact CA-OD1 3.35Å; D370-N374 VanDerWaalsContact O-CB 3.25Å; D370-N374 WeakPolarHBondContact O-CB 3.41Å; D370-N374 VanDerWaalsContact O-CG 3.23Å; D370-N374 PolarHBondContact O-N 3.13Å; N374-R376 VanDerWaalsContact C-N 3.3Å; N374-R376 PolarHBondContact O-N 3.2Å; N374-L377 PolarHBondContact O-N 3.1Å; N374-L378 WeakPolarHBondContact O-CB 3.31Å; N374-L378 WeakPolarHBondContact O-CG 3.49Å; N374-L378 PolarHBondContact O-N 3.06Å
375M95.7Very high94.6Very high17 Ų1766.4 Ų66.48%0.08434%0.34CS..Hα-helixtrans-60.3-40.1173.7-82.6-52.5-44.600112.3I311 F315 F371 L378 Q379I311-M375 HydrophobicContact CG1-SD 4.4Å; I311-M375 HydrophobicContact CG2-SD 3.99Å; F315-M375 HydrophobicContact CB-CE 3.52Å; F315-M375 HydrophobicContact CB-SD 3.88Å; F315-M375 HydrophobicContact CD2-SD 3.97Å; F315-M375 HydrophobicContact CG-CE 4.4Å; F315-M375 HydrophobicContact CG-SD 4.37Å; F371-M375 HydrophobicContact CD1-CG 4.36Å; F371-M375 HydrophobicContact CD2-CG 4.24Å; F371-M375 HydrophobicContact CE1-CG 3.94Å; F371-M375 HydrophobicContact CE2-CG 3.82Å; F371-M375 HydrophobicContact CE2-SD 4.41Å; F371-M375 HydrophobicContact CZ-CG 3.65Å; F371-M375 HydrophobicContact CZ-SD 4.49Å; F371-M375 VanDerWaalsContact O-CB 3.27Å; F371-M375 WeakPolarHBondContact O-CB 3.1Å; F371-M375 VanDerWaalsContact O-CG 3.3Å; F371-M375 WeakPolarHBondContact O-CG 3.28Å; F371-M375 PolarHBondContact O-N 3.14Å; M375-L378 PolarHBondContact O-N 2.64Å; M375-Q379 HydrophobicContact CE-CG 3.93Å; M375-Q379 VanDerWaalsContact CE-NE2 3.25Å; M375-Q379 WeakPolarHBondContact O-CB 3.36Å; M375-Q379 VanDerWaalsContact O-CG 3.32Å; M375-Q379 WeakPolarHBondContact O-CG 3.23Å; M375-Q379 PolarHBondContact O-N 2.82Å; M375-Q379 VanDerWaalsContact O-N 3.1Å
376R96.1Very high94.6Very high176 Ų17662.4 Ų62.466%0.66432%0.321SS*.Hα-helixtrans-63.9-48.8175-174.9-178.6-66.9169.4-0.4111.3T372 V373 N374 L378 Q379 D380T372-R376 PolarHBondContact O-N 2.88Å; T372-R376 VanDerWaalsContact O-N 3.1Å; V373-R376 WeakPolarHBondContact O-CB 3.49Å; V373-R376 PolarHBondContact O-N 2.67Å; N374-R376 VanDerWaalsContact C-N 3.3Å; N374-R376 PolarHBondContact O-N 3.2Å; R376-L378 PolarHBondContact O-N 3.18Å; R376-Q379 PolarHBondContact O-N 3.4Å; R376-D380 WeakPolarHBondContact O-CB 2.98Å; R376-D380 PolarHBondContact O-N 2.91Å
377L95.9Very high94.5Very high35 Ų3565.3 Ų65.318%0.18334%0.341CS..Hα-helixtrans-60.1-32.3179.2-72.4170.9000113.1I362 Q365 L366 V373 N374 D380 Y381 P382I362-L377 HydrophobicContact CD1-CB 4.4Å; Q365-L377 HydrophobicContact CB-CD1 3.76Å; L366-L377 HydrophobicContact CD2-CD1 4.46Å; V373-L377 HydrophobicContact CG1-CD1 3.99Å; V373-L377 HydrophobicContact CG1-CG 4.44Å; V373-L377 WeakPolarHBondContact O-CG 3.4Å; V373-L377 PolarHBondContact O-N 3.41Å; N374-L377 PolarHBondContact O-N 3.1Å; L377-D380 CarbonylContact O-C 3.53Å; L377-Y381 WeakPolarHBondContact O-CA 3.07Å; L377-P382 HydrophobicContact CD2-CB 4.45Å; L377-P382 HydrophobicContact CD2-CG 4.13Å
378L95.9Very high94.4Very high0 Ų068 Ų680%035%0.352CS..Hα-helixtrans-82-25.2179.2-67.1171.6000113.2I311 F316 W320 L359 I362 L366 N374 M375 R376I311-L378 HydrophobicContact CG2-CD1 3.95Å; F316-L378 HydrophobicContact CB-CB 3.9Å; F316-L378 HydrophobicContact CD1-CB 4.33Å; F316-L378 HydrophobicContact CD1-CD1 3.82Å; F316-L378 HydrophobicContact CD2-CD2 4.44Å; F316-L378 HydrophobicContact CE1-CD1 3.96Å; F316-L378 HydrophobicContact CG-CB 4.02Å; F316-L378 HydrophobicContact CG-CD1 4.26Å; W320-L378 HydrophobicContact CH2-CD2 4.12Å; W320-L378 WeakPolarHBondContact CZ2-O 3.39Å; L359-L378 HydrophobicContact CD2-CD2 3.26Å; I362-L378 HydrophobicContact CD1-CD2 4.14Å; L366-L378 HydrophobicContact CD1-CD2 4.35Å; L366-L378 HydrophobicContact CD2-CD2 4.37Å; L366-L378 HydrophobicContact CD2-CG 4.24Å; N374-L378 WeakPolarHBondContact O-CB 3.31Å; N374-L378 WeakPolarHBondContact O-CG 3.49Å; N374-L378 PolarHBondContact O-N 3.06Å; M375-L378 PolarHBondContact O-N 2.64Å; R376-L378 PolarHBondContact O-N 3.18Å
379Q93.2Very high94.5Very high102 Ų10260 Ų6048%0.47732%0.315SS..Hα-helixtrans-92.5-22.8177.8-69.4-179.6-21.600113F315 R319 M375 R376F315-Q379 PolarHBondContact O-NE2 3.42Å; R319-Q379 PolarHBondContact NH2-O 3.15Å; M375-Q379 HydrophobicContact CE-CG 3.93Å; M375-Q379 VanDerWaalsContact CE-NE2 3.25Å; M375-Q379 WeakPolarHBondContact O-CB 3.36Å; M375-Q379 VanDerWaalsContact O-CG 3.32Å; M375-Q379 WeakPolarHBondContact O-CG 3.23Å; M375-Q379 PolarHBondContact O-N 2.82Å; M375-Q379 VanDerWaalsContact O-N 3.1Å; R376-Q379 PolarHBondContact O-N 3.4Å
380D93Very high94.6Very high122 Ų12259.9 Ų59.965%0.65231%0.312SS*.SBendtrans-129.282.6176.3-175.426.7000108.2R376 L377R376-D380 WeakPolarHBondContact O-CB 2.98Å; R376-D380 PolarHBondContact O-N 2.91Å; L377-D380 CarbonylContact O-C 3.53Å
381Y95Very high94.6Very high16 Ų1661.8 Ų61.86%0.06332%0.318CS..  trans-69.5126.9-167.3-168.7-107.6000111.6W320 F329 M358 I362 L377 I383 I389W320-Y381 HydrophobicContact CH2-CD2 4.29Å; W320-Y381 HydrophobicContact CZ2-CD2 4.24Å; F329-Y381 AromaticContact CE1-CD1 3.9Å; F329-Y381 HydrophobicContact CE1-CD1 3.9Å; F329-Y381 HydrophobicContact CE1-CE1 4.36Å; F329-Y381 AromaticContact CZ-CD1 3.9Å; F329-Y381 HydrophobicContact CZ-CD1 3.9Å; F329-Y381 HydrophobicContact CZ-CE1 4.22Å; M358-Y381 VanDerWaalsContact C-OH 3.26Å; M358-Y381 WeakPolarHBondContact CA-OH 3.47Å; M358-Y381 HydrophobicContact CB-CE1 4.35Å; M358-Y381 HydrophobicContact CB-CE2 3.8Å; M358-Y381 HydrophobicContact CE-CD1 3.81Å; M358-Y381 HydrophobicContact CE-CD2 3.89Å; M358-Y381 HydrophobicContact CE-CE1 4Å; M358-Y381 HydrophobicContact CE-CE2 4.12Å; M358-Y381 HydrophobicContact CE-CG 3.75Å; M358-Y381 HydrophobicContact CG-CE1 4.13Å; M358-Y381 HydrophobicContact CG-CE2 4.41Å; M358-Y381 WeakPolarHBondContact O-CE2 3.34Å; M358-Y381 PolarHBondContact O-OH 2.9Å; I362-Y381 HydrophobicContact CD1-CD2 4.17Å; I362-Y381 HydrophobicContact CD1-CE2 3.76Å; I362-Y381 HydrophobicContact CG1-CE2 4.07Å; I362-Y381 HydrophobicContact CG2-CE2 3.92Å; L377-Y381 WeakPolarHBondContact O-CA 3.07Å; Y381-I383 HydrophobicContact CD1-CB 4.26Å; Y381-I383 HydrophobicContact CE1-CB 3.63Å; Y381-I383 HydrophobicContact CE1-CG1 4.3Å; Y381-I389 HydrophobicContact CD1-CD1 4.5Å; Y381-I389 HydrophobicContact CE1-CD1 3.72Å
382P93Very high94.7Very high60 Ų6060.1 Ų60.139%0.3931%0.311SS..  trans-83.4-16.8-165.732.4-38.6000114.8I362 L377I362-P382 HydrophobicContact CG2-CG 3.63Å; L377-P382 HydrophobicContact CD2-CB 4.45Å; L377-P382 HydrophobicContact CD2-CG 4.13Å
383I86.9Confident94.7Very high28 Ų2855.9 Ų55.914%0.14429%0.285CS..  trans-89.3123.7-176.7-63178.6000109.4L361 I362 Y381 I389L361-I383 HydrophobicContact CB-CD1 3.49Å; L361-I383 VanDerWaalsContact CB-CD1 3.49Å; L361-I383 HydrophobicContact CD1-CD1 4.32Å; L361-I383 HydrophobicContact CG-CD1 4.44Å; I362-I383 HydrophobicContact CG2-CD1 3.74Å; I362-I383 HydrophobicContact CG2-CG1 3.97Å; Y381-I383 HydrophobicContact CD1-CB 4.26Å; Y381-I383 HydrophobicContact CE1-CB 3.63Å; Y381-I383 HydrophobicContact CE1-CG1 4.3Å; I383-I389 HydrophobicContact CG2-CD1 4.36Å; I383-I389 HydrophobicContact CG2-CG1 4.29Å
384T84.6Confident94.7Very high117 Ų11755.7 Ų55.772%0.71828%0.279SS*.  trans-95.4-22.9178.954.20000113.3V386T384-V386 PolarHBondContact O-N 2.54Å; T384-V386 VanDerWaalsContact O-N 3.09Å
385D93Very high94.7Very high85 Ų8560 Ų6046%0.45530%0.298SS..  trans-8192.4178.1-173.3-1000111.4C387 Q388D385-C387 PolarHBondContact O-N 2.92Å; D385-C387 VanDerWaalsContact OD1-CB 3.27Å; D385-C387 WeakPolarHBondContact OD1-CB 3.41Å; D385-C387 PolarHBondContact OD1-N 2.78Å; D385-Q388 HydrophobicContact CB-CB 4.48Å; D385-Q388 WeakPolarHBondContact O-CB 3.24Å; D385-Q388 PolarHBondContact O-N 3.36Å
386V95.7Very high94.7Very high3 Ų359.5 Ų59.52%0.01830%0.296CS..Hα-helixtrans-65-20.9177.6-64.10000113.7F329 D333 R336 I337 T384 Q388 I389 L390F329-V386 HydrophobicContact CD1-CG1 3.58Å; F329-V386 HydrophobicContact CE1-CG1 3.77Å; F329-V386 HydrophobicContact CG-CG1 4Å; F329-V386 HydrophobicContact CZ-CG1 4.35Å; D333-V386 HydrophobicContact CB-CG1 3.69Å; D333-V386 HydrophobicContact CB-CG2 4.02Å; R336-V386 HydrophobicContact CB-CG2 4.18Å; R336-V386 HydrophobicContact CG-CG2 3.95Å; I337-V386 HydrophobicContact CD1-CB 4.17Å; I337-V386 HydrophobicContact CD1-CG1 3.77Å; I337-V386 HydrophobicContact CG1-CB 4Å; I337-V386 HydrophobicContact CG1-CG1 4.14Å; I337-V386 HydrophobicContact CG1-CG2 4.49Å; T384-V386 PolarHBondContact O-N 2.54Å; T384-V386 VanDerWaalsContact O-N 3.09Å; V386-Q388 VanDerWaalsContact C-N 3.31Å; V386-Q388 PolarHBondContact O-N 3.1Å; V386-I389 HydrophobicContact CG1-CD1 4.39Å; V386-I389 PolarHBondContact O-N 3.22Å; V386-L390 VanDerWaalsContact O-CG 3.27Å; V386-L390 WeakPolarHBondContact O-CG 3.31Å; V386-L390 PolarHBondContact O-N 3.37Å
387C95.5Very high94.6Very high62 Ų6253.1 Ų53.142%0.41927%0.274SS..Hα-helixtrans-67.3-36.3176.6-65.50000111D385 I389 L390 Q391D385-C387 PolarHBondContact O-N 2.92Å; D385-C387 VanDerWaalsContact OD1-CB 3.27Å; D385-C387 WeakPolarHBondContact OD1-CB 3.41Å; D385-C387 PolarHBondContact OD1-N 2.78Å; C387-I389 VanDerWaalsContact C-N 3.33Å; C387-L390 PolarHBondContact O-N 3.14Å; C387-Q391 WeakPolarHBondContact O-CB 3.37Å; C387-Q391 PolarHBondContact O-N 3.14Å
388Q96.3Very high94.3Very high89 Ų8956.4 Ų56.442%0.41629%0.292SS..Hα-helixtrans-62.5-41.7173.8-171.5-178.216.100111.5L361 D385 V386 Q391 K392L361-Q388 HydrophobicContact CD1-CG 4.27Å; L361-Q388 HydrophobicContact CD2-CG 4.04Å; D385-Q388 HydrophobicContact CB-CB 4.48Å; D385-Q388 WeakPolarHBondContact O-CB 3.24Å; D385-Q388 PolarHBondContact O-N 3.36Å; V386-Q388 VanDerWaalsContact C-N 3.31Å; V386-Q388 PolarHBondContact O-N 3.1Å; Q388-Q391 PolarHBondContact O-N 3.42Å; Q388-K392 WeakPolarHBondContact O-CB 3.32Å; Q388-K392 PolarHBondContact O-N 3.08Å
389I97.6Very high93.8Very high1 Ų159.4 Ų59.41%0.00531%0.313CS..Hα-helixtrans-63.1-48.7177.8-53.2174.2000110.6F329 V354 A357 M358 L361 Y381 I383 V386 C387 Q391 K392 A393F329-I389 HydrophobicContact CE1-CD1 3.65Å; F329-I389 HydrophobicContact CZ-CD1 3.45Å; F329-I389 VanDerWaalsContact CZ-CD1 3.45Å; V354-I389 HydrophobicContact CG1-CG2 3.88Å; A357-I389 HydrophobicContact CB-CG2 4.45Å; M358-I389 HydrophobicContact CG-CD1 4.2Å; M358-I389 HydrophobicContact CG-CG2 3.54Å; L361-I389 HydrophobicContact CD1-CB 4.16Å; L361-I389 HydrophobicContact CD1-CG1 3.78Å; Y381-I389 HydrophobicContact CD1-CD1 4.5Å; Y381-I389 HydrophobicContact CE1-CD1 3.72Å; I383-I389 HydrophobicContact CG2-CD1 4.36Å; I383-I389 HydrophobicContact CG2-CG1 4.29Å; V386-I389 HydrophobicContact CG1-CD1 4.39Å; V386-I389 PolarHBondContact O-N 3.22Å; C387-I389 VanDerWaalsContact C-N 3.33Å; I389-Q391 PolarHBondContact O-N 3.25Å; I389-K392 PolarHBondContact O-N 3.41Å; I389-A393 WeakPolarHBondContact O-CB 3.33Å; I389-A393 PolarHBondContact O-N 2.92Å
390L97.4Very high92.5Very high6 Ų663.5 Ų63.53%0.03133%0.329CS..Hα-helixtrans-65-40-179.9-68.1169.5000112.1R336 I337 F350 V354 V386 C387 K392 A393 K394R336-L390 HydrophobicContact CG-CD1 4.34Å; I337-L390 HydrophobicContact CG1-CD1 4.5Å; F350-L390 HydrophobicContact CE1-CD2 4.17Å; F350-L390 HydrophobicContact CZ-CD2 4.47Å; V354-L390 HydrophobicContact CG2-CD2 4.15Å; V386-L390 VanDerWaalsContact O-CG 3.27Å; V386-L390 WeakPolarHBondContact O-CG 3.31Å; V386-L390 PolarHBondContact O-N 3.37Å; C387-L390 PolarHBondContact O-N 3.14Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-A393 PolarHBondContact O-N 3.33Å; L390-K394 WeakPolarHBondContact O-CB 3.2Å; L390-K394 PolarHBondContact O-N 3.34Å
391Q96.7Very high92.5Very high126 Ų12660.6 Ų60.659%0.58931%0.313SS*.Hα-helixtrans-61.5-45.2174.3-177.4174.71.700110.7C387 Q388 I389 A393 K394 E395C387-Q391 WeakPolarHBondContact O-CB 3.37Å; C387-Q391 PolarHBondContact O-N 3.14Å; Q388-Q391 PolarHBondContact O-N 3.42Å; I389-Q391 PolarHBondContact O-N 3.25Å; Q391-A393 VanDerWaalsContact C-N 3.34Å; Q391-A393 PolarHBondContact O-N 3.44Å; Q391-K394 PolarHBondContact O-N 3.3Å; Q391-E395 WeakPolarHBondContact O-CG 3.19Å; Q391-E395 PolarHBondContact O-N 3Å
392K96.9Very high92.4Very high57 Ų5762.9 Ų62.925%0.24833%0.326CS..Hα-helixtrans-64.2-40177.9-17358.3175.5-179.50112.1A357 L361 Q388 I389 L390 K394 E395 L396A357-K392 HydrophobicContact CB-CB 3.88Å; A357-K392 HydrophobicContact CB-CG 3.79Å; L361-K392 HydrophobicContact CD1-CB 4.27Å; L361-K392 HydrophobicContact CD2-CB 4.38Å; L361-K392 HydrophobicContact CD2-CG 4.36Å; L361-K392 HydrophobicContact CG-CB 4.37Å; L361-K392 HydrophobicContact CG-CG 4.28Å; Q388-K392 WeakPolarHBondContact O-CB 3.32Å; Q388-K392 PolarHBondContact O-N 3.08Å; I389-K392 PolarHBondContact O-N 3.41Å; L390-K392 VanDerWaalsContact C-N 3.34Å; K392-K394 VanDerWaalsContact C-N 3.3Å; K392-K394 PolarHBondContact O-N 3.44Å; K392-E395 VanDerWaalsContact CD-OE2 3.24Å; K392-E395 WeakPolarHBondContact CD-OE2 3.21Å; K392-E395 IonicContact NZ-OE2 2.75Å; K392-E395 PolarHBondContact NZ-OE2 3.12Å; K392-E395 WeakPolarHBondContact O-CB 3.33Å; K392-E395 PolarHBondContact O-N 3.43Å; K392-L396 WeakPolarHBondContact O-CG 3.23Å; K392-L396 PolarHBondContact O-N 3.04Å
393A97.6Very high92.3Very high0 Ų063.1 Ų63.10%032%0.322CS..Hα-helixtrans-62-39.3174.700000111.9F350 L353 V354 A357 I389 L390 Q391 L396 Q397F350-A393 HydrophobicContact CE2-CB 3.81Å; F350-A393 HydrophobicContact CZ-CB 3.85Å; L353-A393 HydrophobicContact CB-CB 4.42Å; V354-A393 HydrophobicContact CB-CB 4.3Å; V354-A393 HydrophobicContact CG2-CB 3.68Å; A357-A393 HydrophobicContact CB-CB 4.03Å; I389-A393 WeakPolarHBondContact O-CB 3.33Å; I389-A393 PolarHBondContact O-N 2.92Å; L390-A393 PolarHBondContact O-N 3.33Å; Q391-A393 VanDerWaalsContact C-N 3.34Å; Q391-A393 PolarHBondContact O-N 3.44Å; A393-L396 WeakPolarHBondContact O-CB 3.12Å; A393-L396 PolarHBondContact O-N 3.44Å; A393-Q397 PolarHBondContact O-N 3.04Å
394K96.3Very high92.7Very high68 Ų6865.1 Ų65.130%0.29633%0.333SS..Hα-helixtrans-66-43.1176-174.950.7173.5157.80112.1F31 L390 Q391 K392 L396 Q397 D398F31-K394 HydrophobicContact CE1-CB 4.31Å; F31-K394 HydrophobicContact CE1-CD 3.98Å; F31-K394 HydrophobicContact CE1-CG 4.07Å; F31-K394 HydrophobicContact CZ-CB 4.37Å; F31-K394 HydrophobicContact CZ-CD 3.93Å; F31-K394 HydrophobicContact CZ-CG 4.35Å; L390-K394 WeakPolarHBondContact O-CB 3.2Å; L390-K394 PolarHBondContact O-N 3.34Å; Q391-K394 PolarHBondContact O-N 3.3Å; K392-K394 VanDerWaalsContact C-N 3.3Å; K392-K394 PolarHBondContact O-N 3.44Å; K394-L396 VanDerWaalsContact C-N 3.26Å; K394-L396 PolarHBondContact O-N 3.17Å; K394-Q397 HydrophobicContact CD-CB 4.43Å; K394-Q397 VanDerWaalsContact CD-OE1 3.25Å; K394-Q397 WeakPolarHBondContact O-CB 3.46Å; K394-Q397 PolarHBondContact O-N 3.17Å; K394-D398 VanDerWaalsContact CE-OD1 3.31Å; K394-D398 WeakPolarHBondContact CE-OD1 3.46Å; K394-D398 WeakPolarHBondContact CE-OD2 3.5Å; K394-D398 IonicContact NZ-OD1 3.61Å; K394-D398 PolarHBondContact NZ-OD1 2.93Å; K394-D398 IonicContact NZ-OD2 2.8Å; K394-D398 PolarHBondContact O-N 2.86Å
395E96.5Very high93.2Very high89 Ų8961.9 Ų61.942%0.41631%0.309SS..Hα-helixtrans-57-39.3171.6-68.5170.8-168.700112.4Q391 K392 Q397 S399Q391-E395 WeakPolarHBondContact O-CG 3.19Å; Q391-E395 PolarHBondContact O-N 3Å; K392-E395 VanDerWaalsContact CD-OE2 3.24Å; K392-E395 WeakPolarHBondContact CD-OE2 3.21Å; K392-E395 IonicContact NZ-OE2 2.75Å; K392-E395 PolarHBondContact NZ-OE2 3.12Å; K392-E395 WeakPolarHBondContact O-CB 3.33Å; K392-E395 PolarHBondContact O-N 3.43Å; E395-Q397 VanDerWaalsContact C-N 3.34Å; E395-S399 WeakPolarHBondContact O-CB 3.29Å; E395-S399 PolarHBondContact O-N 3.17Å; E395-S399 PolarHBondContact O-OG 3.13Å
396L95.2Very high93.2Very high8 Ų860.3 Ų60.34%0.04230%0.299CS..Hα-helixtrans-68.5-33.9176-67.3177.5000112.4K298 L353 C356 A357 M360 K392 A393 K394 S399K298-L396 HydrophobicContact CB-CD2 4.28Å; K298-L396 HydrophobicContact CD-CD2 3.93Å; K298-L396 HydrophobicContact CG-CD2 3.97Å; L353-L396 HydrophobicContact CD2-CB 4.25Å; C356-L396 HydrophobicContact CB-CD1 4.27Å; A357-L396 HydrophobicContact CB-CD1 4.08Å; M360-L396 HydrophobicContact CE-CD2 4.33Å; M360-L396 HydrophobicContact SD-CD1 3.91Å; M360-L396 HydrophobicContact SD-CD2 3.87Å; M360-L396 HydrophobicContact SD-CG 4.46Å; K392-L396 WeakPolarHBondContact O-CG 3.23Å; K392-L396 PolarHBondContact O-N 3.04Å; A393-L396 WeakPolarHBondContact O-CB 3.12Å; A393-L396 PolarHBondContact O-N 3.44Å; K394-L396 VanDerWaalsContact C-N 3.26Å; K394-L396 PolarHBondContact O-N 3.17Å; L396-S399 WeakPolarHBondContact CA-OG 3.46Å; L396-S399 PolarHBondContact O-OG 2.97Å; L396-S399 VanDerWaalsContact O-OG 3.12Å
397Q93.6Very high93Very high41 Ų4164.4 Ų64.419%0.19232%0.319CS..Hα-helixtrans-67.9-44.8176-166.4-17647.700111.3D344 L353 A393 K394 E395 S399 K400D344-Q397 PolarHBondContact OD2-NE2 2.71Å; L353-Q397 HydrophobicContact CD1-CB 3.57Å; L353-Q397 HydrophobicContact CD1-CG 3.88Å; A393-Q397 PolarHBondContact O-N 3.04Å; K394-Q397 HydrophobicContact CD-CB 4.43Å; K394-Q397 VanDerWaalsContact CD-OE1 3.25Å; K394-Q397 WeakPolarHBondContact O-CB 3.46Å; K394-Q397 PolarHBondContact O-N 3.17Å; E395-Q397 VanDerWaalsContact C-N 3.34Å; Q397-S399 PolarHBondContact O-N 2.94Å; Q397-K400 PolarHBondContact O-N 2.96Å
398D91.3Very high92.8Very high105 Ų10564.6 Ų64.656%0.56131%0.311SS*.Hα-helixtrans-75.5-11.7-176.8-62.2-20.7000113K394K394-D398 VanDerWaalsContact CE-OD1 3.31Å; K394-D398 WeakPolarHBondContact CE-OD1 3.46Å; K394-D398 WeakPolarHBondContact CE-OD2 3.5Å; K394-D398 IonicContact NZ-OD1 3.61Å; K394-D398 PolarHBondContact NZ-OD1 2.93Å; K394-D398 IonicContact NZ-OD2 2.8Å; K394-D398 PolarHBondContact O-N 2.86Å
399S84.2Confident92.5Very high62 Ų6262.6 Ų62.643%0.43430%0.303SS..THydrogen-bonded Turntrans-100.213.5176.460.90000113.9K298 E395 L396 Q397K298-S399 PolarHBondContact NZ-O 3.18Å; K298-S399 PolarHBondContact NZ-OG 3.39Å; E395-S399 WeakPolarHBondContact O-CB 3.29Å; E395-S399 PolarHBondContact O-N 3.17Å; E395-S399 PolarHBondContact O-OG 3.13Å; L396-S399 WeakPolarHBondContact CA-OG 3.46Å; L396-S399 PolarHBondContact O-OG 2.97Å; L396-S399 VanDerWaalsContact O-OG 3.12Å; Q397-S399 PolarHBondContact O-N 2.94Å
400K67Low92.1Very high188 Ų18868.2 Ų68.282%0.81733%0.33SS*.  trans-80.10164.1-75.6-176.8177.7176.50109.7Q397Q397-K400 PolarHBondContact O-N 2.96Å

Retrieved 400 of 400 residues in 348.1 ms (Link to these results)

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