A0A087XE65_POEFO Loading...

Potassium voltage-gated channel subfamily Q member 5

AlphaFold DB , UniProt , Accession A0A087XE65, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 556 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
1F84.4Confident86.8Confident145 Ų14559.2 Ų59.264%0.63631%0.311SS*.  0-76.30-171.8-87.3000110.3L3 V4 F5 M112F1-L3 PolarHBondContact O-N 2.71Å; F1-V4 WeakPolarHBondContact O-CB 3.16Å; F1-V4 PolarHBondContact O-N 3.26Å; F1-F5 HydrophobicContact CE1-CB 4.17Å; F1-F5 HydrophobicContact CE1-CG 4.33Å; F1-F5 PolarHBondContact O-N 3.44Å; F1-F5 VanDerWaalsContact O-N 3.09Å; F1-M112 VanDerWaalsContact CA-SD 3.55Å; F1-M112 HydrophobicContact CB-CE 4.3Å; F1-M112 HydrophobicContact CB-SD 3.88Å; F1-M112 HydrophobicContact CD2-CE 3.39Å; F1-M112 HydrophobicContact CD2-CG 4.02Å; F1-M112 HydrophobicContact CD2-SD 3.54Å; F1-M112 VanDerWaalsContact CD2-SD 3.54Å; F1-M112 HydrophobicContact CE2-CE 3.87Å; F1-M112 HydrophobicContact CE2-SD 4.47Å; F1-M112 HydrophobicContact CG-CE 4.05Å; F1-M112 HydrophobicContact CG-SD 4.12Å
2I89.6Confident86.7Confident140 Ų14061.3 Ų61.372%0.71833%0.328SS*.Hα-helixtrans-49.5-48.7-170.5-59.7170.7000113.1V4 F5 G6I2-V4 VanDerWaalsContact C-N 3.33Å; I2-V4 PolarHBondContact O-N 3.13Å; I2-F5 PolarHBondContact O-N 3.29Å; I2-F5 VanDerWaalsContact O-N 3.09Å; I2-G6 PolarHBondContact O-N 3.04Å
3L87Confident86.8Confident66 Ų6663.5 Ų63.535%0.34633%0.333SS..Hα-helixtrans-58.5-38.1178.5-125.5165000113.9F1 C7 L30 V33 M34F1-L3 PolarHBondContact O-N 2.71Å; L3-C7 WeakPolarHBondContact O-CB 3.26Å; L3-C7 PolarHBondContact O-N 3.03Å; L3-L30 HydrophobicContact CD2-CD2 3.75Å; L3-V33 HydrophobicContact CD1-CG1 4.46Å; L3-M34 HydrophobicContact CB-SD 3.96Å; L3-M34 HydrophobicContact CD2-CG 3.66Å; L3-M34 HydrophobicContact CD2-SD 3.54Å; L3-M34 VanDerWaalsContact CD2-SD 3.54Å; L3-M34 HydrophobicContact CG-SD 4.25Å
4V86.3Confident86.6Confident9 Ų959.6 Ų59.66%0.05531%0.313CS..Hα-helixtrans-68.9-43.6174.6-175.10000110.6F1 I2 C7 L8 M34 F38 R108 M112F1-V4 WeakPolarHBondContact O-CB 3.16Å; F1-V4 PolarHBondContact O-N 3.26Å; I2-V4 VanDerWaalsContact C-N 3.33Å; I2-V4 PolarHBondContact O-N 3.13Å; V4-C7 PolarHBondContact O-N 3.38Å; V4-L8 PolarHBondContact O-N 3.13Å; V4-L8 VanDerWaalsContact O-N 3.07Å; V4-M34 HydrophobicContact CB-CE 4.24Å; V4-M34 HydrophobicContact CG2-CE 4.01Å; V4-F38 HydrophobicContact CG2-CE2 4.18Å; V4-F38 HydrophobicContact CG2-CZ 3.65Å; V4-R108 HydrophobicContact CG1-CB 3.91Å; V4-M112 HydrophobicContact CB-CE 4.17Å; V4-M112 HydrophobicContact CG1-CE 4.38Å; V4-M112 HydrophobicContact CG2-CE 4.44Å
5F87.5Confident86.5Confident100 Ų10062.7 Ų62.744%0.43934%0.336SS..Hα-helixtrans-67.9-44.8-177.4-177.1-103.8000111.7F1 I2 C7 L8 V9F1-F5 HydrophobicContact CE1-CB 4.17Å; F1-F5 HydrophobicContact CE1-CG 4.33Å; F1-F5 PolarHBondContact O-N 3.44Å; F1-F5 VanDerWaalsContact O-N 3.09Å; I2-F5 PolarHBondContact O-N 3.29Å; I2-F5 VanDerWaalsContact O-N 3.09Å; F5-C7 PolarHBondContact O-N 3.01Å; F5-L8 WeakPolarHBondContact O-CB 3.47Å; F5-L8 PolarHBondContact O-N 3.17Å; F5-L8 VanDerWaalsContact O-N 3.13Å; F5-V9 HydrophobicContact CD1-CG2 4.16Å; F5-V9 HydrophobicContact CE1-CG2 3.78Å; F5-V9 HydrophobicContact CE2-CG2 4.31Å; F5-V9 HydrophobicContact CZ-CG2 3.86Å; F5-V9 WeakPolarHBondContact O-CG2 3.19Å; F5-V9 PolarHBondContact O-N 3.05Å
6G88.1Confident86.7Confident27 Ų2763.1 Ų63.128%0.27834%0.337SS..Hα-helixtrans-61.5-40.3174.800000112.9I2 L8 V9 L10I2-G6 PolarHBondContact O-N 3.04Å; G6-L8 VanDerWaalsContact C-N 3.34Å; G6-L8 PolarHBondContact O-N 3.28Å; G6-V9 PolarHBondContact O-N 3.29Å; G6-L10 WeakPolarHBondContact O-CB 3.46Å; G6-L10 WeakPolarHBondContact O-CG 3.31Å; G6-L10 PolarHBondContact O-N 3.38Å
7C85.6Confident86.8Confident2 Ų265.9 Ų65.91%0.01436%0.36CS..Hα-helixtrans-60-42.1172-173.30000112L3 V4 F5 S11 L27 M34 R108L3-C7 WeakPolarHBondContact O-CB 3.26Å; L3-C7 PolarHBondContact O-N 3.03Å; V4-C7 PolarHBondContact O-N 3.38Å; F5-C7 PolarHBondContact O-N 3.01Å; C7-S11 PolarHBondContact O-N 3.03Å; C7-L27 WeakPolarHBondContact O-CD2 3.22Å; C7-M34 HydrophobicContact CB-CE 4.17Å; C7-R108 PolarHBondContact SG-NH1 3.11Å; C7-R108 VanDerWaalsContact SG-NH1 3.44Å
8L85.9Confident87Confident51 Ų5167.1 Ų67.127%0.26738%0.379SS..Hα-helixtrans-66.9-44.6176.9-174.5154.4000111.6V4 F5 G6 S11 V12 I106V4-L8 PolarHBondContact O-N 3.13Å; V4-L8 VanDerWaalsContact O-N 3.07Å; F5-L8 WeakPolarHBondContact O-CB 3.47Å; F5-L8 PolarHBondContact O-N 3.17Å; F5-L8 VanDerWaalsContact O-N 3.13Å; G6-L8 VanDerWaalsContact C-N 3.34Å; G6-L8 PolarHBondContact O-N 3.28Å; L8-S11 WeakPolarHBondContact O-CB 3.36Å; L8-S11 PolarHBondContact O-N 2.72Å; L8-S11 VanDerWaalsContact O-N 3.13Å; L8-V12 PolarHBondContact O-N 3.43Å; L8-V12 VanDerWaalsContact O-N 3.12Å; L8-I106 HydrophobicContact CD1-CG1 4.46Å
9V88.3Confident87.1Confident49 Ų4968.8 Ų68.830%0.29738%0.384SS..Hα-helixtrans-60.1-46.6176.7169.50000110.8F5 G6 S11 V12 F13F5-V9 HydrophobicContact CD1-CG2 4.16Å; F5-V9 HydrophobicContact CE1-CG2 3.78Å; F5-V9 HydrophobicContact CE2-CG2 4.31Å; F5-V9 HydrophobicContact CZ-CG2 3.86Å; F5-V9 WeakPolarHBondContact O-CG2 3.19Å; F5-V9 PolarHBondContact O-N 3.05Å; G6-V9 PolarHBondContact O-N 3.29Å; V9-S11 VanDerWaalsContact C-N 3.28Å; V9-S11 PolarHBondContact O-N 3.24Å; V9-V12 WeakPolarHBondContact O-CB 3.2Å; V9-V12 PolarHBondContact O-N 2.96Å; V9-V12 VanDerWaalsContact O-N 3.09Å; V9-F13 HydrophobicContact CG1-CD2 3.77Å; V9-F13 HydrophobicContact CG1-CE2 3.58Å; V9-F13 VanDerWaalsContact O-CD2 3.31Å; V9-F13 WeakPolarHBondContact O-CD2 3.44Å; V9-F13 PolarHBondContact O-N 3.45Å
10L87.7Confident87Confident37 Ų3770 Ų7019%0.19439%0.386CS..Hα-helixtrans-65.2-30.2175.2-73.4166.4000112.8G6 V12 F13 S14 C26 L27 L30G6-L10 WeakPolarHBondContact O-CB 3.46Å; G6-L10 WeakPolarHBondContact O-CG 3.31Å; G6-L10 PolarHBondContact O-N 3.38Å; L10-V12 VanDerWaalsContact C-N 3.29Å; L10-V12 PolarHBondContact O-N 2.86Å; L10-F13 PolarHBondContact O-N 3.32Å; L10-S14 WeakPolarHBondContact O-CB 3.43Å; L10-S14 PolarHBondContact O-N 2.88Å; L10-C26 HydrophobicContact CD1-CB 4.31Å; L10-L27 HydrophobicContact CB-CD2 3.76Å; L10-L27 HydrophobicContact CB-CG 3.97Å; L10-L30 HydrophobicContact CD1-CD1 3.27Å
11S84.1Confident87Confident25 Ų2574 Ų7418%0.17540%0.402CS..Hα-helixtrans-63-37.1171.8-171.50000111.6C7 L8 V9 S14C7-S11 PolarHBondContact O-N 3.03Å; L8-S11 WeakPolarHBondContact O-CB 3.36Å; L8-S11 PolarHBondContact O-N 2.72Å; L8-S11 VanDerWaalsContact O-N 3.13Å; V9-S11 VanDerWaalsContact C-N 3.28Å; V9-S11 PolarHBondContact O-N 3.24Å; S11-S14 PolarHBondContact O-N 3.1Å; S11-S14 PolarHBondContact O-OG 2.87Å
12V86.5Confident87.2Confident85 Ų8574.5 Ų74.552%0.51540%0.404SS..Hα-helixtrans-70.3-43.4173.21790000111L8 V9 L10 S14 T15L8-V12 PolarHBondContact O-N 3.43Å; L8-V12 VanDerWaalsContact O-N 3.12Å; V9-V12 WeakPolarHBondContact O-CB 3.2Å; V9-V12 PolarHBondContact O-N 2.96Å; V9-V12 VanDerWaalsContact O-N 3.09Å; L10-V12 VanDerWaalsContact C-N 3.29Å; L10-V12 PolarHBondContact O-N 2.86Å; V12-S14 PolarHBondContact O-N 2.98Å; V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 VanDerWaalsContact O-N 3.07Å; V12-T15 PolarHBondContact O-OG1 3.07Å
13F87.9Confident87.1Confident90 Ų9068 Ų6840%0.39537%0.371SS..Hα-helixtrans-61.1-30.3173.9-79.2-74000112.9V9 L10 T15 I16 S23V9-F13 HydrophobicContact CG1-CD2 3.77Å; V9-F13 HydrophobicContact CG1-CE2 3.58Å; V9-F13 VanDerWaalsContact O-CD2 3.31Å; V9-F13 WeakPolarHBondContact O-CD2 3.44Å; V9-F13 PolarHBondContact O-N 3.45Å; L10-F13 PolarHBondContact O-N 3.32Å; F13-T15 PolarHBondContact O-N 2.88Å; F13-I16 HydrophobicContact CD1-CD1 4.05Å; F13-I16 HydrophobicContact CE1-CD1 4.47Å; F13-I16 PolarHBondContact O-N 3.24Å; F13-I16 VanDerWaalsContact O-N 3.1Å; F13-S23 WeakPolarHBondContact CB-OG 3.44Å
14S83.9Confident86.9Confident8 Ų866.3 Ų66.36%0.05637%0.365CS..THydrogen-bonded Turntrans-69.1-11175.882.40000115.1L10 S11 V12 R102L10-S14 WeakPolarHBondContact O-CB 3.43Å; L10-S14 PolarHBondContact O-N 2.88Å; S11-S14 PolarHBondContact O-N 3.1Å; S11-S14 PolarHBondContact O-OG 2.87Å; V12-S14 PolarHBondContact O-N 2.98Å; S14-R102 PolarHBondContact OG-NH1 3.43Å
15T85Confident86.9Confident106 Ų10672.3 Ų72.365%0.6539%0.392SS*.THydrogen-bonded Turntrans-90.8-5.7171.665.70000113.1V12 F13V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 VanDerWaalsContact O-N 3.07Å; V12-T15 PolarHBondContact O-OG1 3.07Å; F13-T15 PolarHBondContact O-N 2.88Å
16I89.7Confident86.9Confident70 Ų7069.2 Ų69.236%0.35938%0.382SS..SBendtrans-92.2117.6176.6-58.5174.9000108.1F13 A18 H19 Q20F13-I16 HydrophobicContact CD1-CD1 4.05Å; F13-I16 HydrophobicContact CE1-CD1 4.47Å; F13-I16 PolarHBondContact O-N 3.24Å; F13-I16 VanDerWaalsContact O-N 3.1Å; I16-A18 VanDerWaalsContact C-N 3.27Å; I16-A18 HydrophobicContact CG2-CB 4.35Å; I16-A18 PolarHBondContact O-N 3.04Å; I16-H19 PolarHBondContact O-N 3.41Å; I16-Q20 PolarHBondContact O-N 3.19Å; I16-Q20 VanDerWaalsContact O-N 3.13Å
17P88.1Confident86.8Confident111 Ų11168 Ų6872%0.72137%0.369SS*.G310 helixtrans-53.8-41.4-174.9-29.135.7000113.8H19 Q20P17-H19 PolarHBondContact O-N 3.04Å; P17-H19 VanDerWaalsContact O-N 3.13Å; P17-Q20 PolarHBondContact O-N 3.03Å
18A90.8Very high86.7Confident86 Ų8673.1 Ų73.171%0.71140%0.396SS*.G310 helixtrans-62.8-17.8-179.400000115.1I16I16-A18 VanDerWaalsContact C-N 3.27Å; I16-A18 HydrophobicContact CG2-CB 4.35Å; I16-A18 PolarHBondContact O-N 3.04Å
19H89.4Confident86.9Confident100 Ų10075.8 Ų75.846%0.46341%0.41SS..G310 helixtrans-125.510-179.2-59.7-42.3000112.9I16 P17 E21 S23I16-H19 PolarHBondContact O-N 3.41Å; P17-H19 PolarHBondContact O-N 3.04Å; P17-H19 VanDerWaalsContact O-N 3.13Å; H19-E21 PolarHBondContact O-N 3.35Å; H19-S23 WeakPolarHBondContact O-CB 3.36Å; H19-S23 PolarHBondContact O-N 2.76Å; H19-S23 PolarHBondContact O-OG 3.5Å
20Q85.2Confident86.8Confident93 Ų9375.8 Ų75.844%0.43541%0.408SS..Hα-helixtrans-62.4-44.8-169.2-175.4178.8-74.500113.1I16 P17 S24I16-Q20 PolarHBondContact O-N 3.19Å; I16-Q20 VanDerWaalsContact O-N 3.13Å; P17-Q20 PolarHBondContact O-N 3.03Å; Q20-S24 WeakPolarHBondContact O-CB 3.49Å; Q20-S24 PolarHBondContact O-N 3.38Å; Q20-S24 PolarHBondContact O-OG 2.75Å
21E85.7Confident86.8Confident155 Ų15574.5 Ų74.572%0.72440%0.401SS*.Hα-helixtrans-68.4-57.6-175.8-62.5-170.3157.200111.5H19 S23 S24 H25H19-E21 PolarHBondContact O-N 3.35Å; E21-S23 VanDerWaalsContact C-N 3.31Å; E21-S23 PolarHBondContact O-N 3.21Å; E21-S24 PolarHBondContact O-N 3.13Å; E21-H25 PolarHBondContact O-CD2 2.81Å; E21-H25 VanDerWaalsContact O-CD2 3.26Å; E21-H25 PolarHBondContact O-N 3.46Å
22F89.5Confident87Confident154 Ų15479.2 Ų79.268%0.67542%0.418SS*.Hα-helixtrans-54.6-46177-179.3-98.5000112S24 H25 C26F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.46Å; F22-H25 PolarHBondContact O-N 3.48Å; F22-C26 PolarHBondContact O-N 3.09Å
23S87.3Confident87.2Confident3 Ų377.9 Ų77.92%0.02141%0.41CS..Hα-helixtrans-64.7-37.3178.4-55.80000112F13 H19 E21 L27F13-S23 WeakPolarHBondContact CB-OG 3.44Å; H19-S23 WeakPolarHBondContact O-CB 3.36Å; H19-S23 PolarHBondContact O-N 2.76Å; H19-S23 PolarHBondContact O-OG 3.5Å; E21-S23 VanDerWaalsContact C-N 3.31Å; E21-S23 PolarHBondContact O-N 3.21Å; S23-L27 VanDerWaalsContact O-CB 3.26Å; S23-L27 WeakPolarHBondContact O-CB 3.31Å; S23-L27 WeakPolarHBondContact O-CG 3.47Å; S23-L27 PolarHBondContact O-N 2.97Å
24S82.3Confident87.2Confident32 Ų3273.7 Ų73.722%0.22439%0.392CS..Hα-helixtrans-68.6-37.9178.6-64.90000112.6Q20 E21 F22 L28Q20-S24 WeakPolarHBondContact O-CB 3.49Å; Q20-S24 PolarHBondContact O-N 3.38Å; Q20-S24 PolarHBondContact O-OG 2.75Å; E21-S24 PolarHBondContact O-N 3.13Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.46Å; S24-L28 PolarHBondContact O-N 3.31Å; S24-L28 VanDerWaalsContact O-N 3.11Å
25H85.9Confident87.6Confident135 Ų13574.6 Ų74.663%0.62540%0.396SS*.Hα-helixtrans-65.3-48.6172.6-76.2-72.3000112E21 F22 L27 L28 I29E21-H25 PolarHBondContact O-CD2 2.81Å; E21-H25 VanDerWaalsContact O-CD2 3.26Å; E21-H25 PolarHBondContact O-N 3.46Å; F22-H25 PolarHBondContact O-N 3.48Å; H25-L27 VanDerWaalsContact C-N 3.3Å; H25-L27 PolarHBondContact O-N 3.47Å; H25-L28 PolarHBondContact O-N 2.9Å; H25-I29 WeakPolarHBondContact O-CG1 3.43Å; H25-I29 PolarHBondContact O-N 3.38Å
26C89Confident88Confident34 Ų3472.7 Ų72.723%0.2338%0.384CS..Hα-helixtrans-61.3-37.2176.5-73.80000112.7L10 F22 L30L10-C26 HydrophobicContact CD1-CB 4.31Å; F22-C26 PolarHBondContact O-N 3.09Å; C26-L30 WeakPolarHBondContact O-CB 3.5Å; C26-L30 WeakPolarHBondContact O-CG 3.43Å; C26-L30 PolarHBondContact O-N 3.43Å
27L85.5Confident88.2Confident1 Ų172.5 Ų72.51%0.00539%0.386CS..Hα-helixtrans-62.2-48.3174.5-83.3169.6000112.2C7 L10 S23 H25 I29 L30 E31C7-L27 WeakPolarHBondContact O-CD2 3.22Å; L10-L27 HydrophobicContact CB-CD2 3.76Å; L10-L27 HydrophobicContact CB-CG 3.97Å; S23-L27 VanDerWaalsContact O-CB 3.26Å; S23-L27 WeakPolarHBondContact O-CB 3.31Å; S23-L27 WeakPolarHBondContact O-CG 3.47Å; S23-L27 PolarHBondContact O-N 2.97Å; H25-L27 VanDerWaalsContact C-N 3.3Å; H25-L27 PolarHBondContact O-N 3.47Å; L27-I29 VanDerWaalsContact C-N 3.3Å; L27-I29 PolarHBondContact O-N 3.19Å; L27-L30 PolarHBondContact O-N 3.4Å; L27-E31 WeakPolarHBondContact O-CB 3.33Å; L27-E31 VanDerWaalsContact O-CG 3.31Å; L27-E31 WeakPolarHBondContact O-CG 3.45Å; L27-E31 PolarHBondContact O-N 2.87Å
28L83.8Confident88.3Confident110 Ų11068.3 Ų68.358%0.57636%0.356SS*.Hα-helixtrans-58-45.5-178.9-168.4159.7000111S24 H25 E31 F32S24-L28 PolarHBondContact O-N 3.31Å; S24-L28 VanDerWaalsContact O-N 3.11Å; H25-L28 PolarHBondContact O-N 2.9Å; L28-E31 PolarHBondContact O-N 3.12Å; L28-F32 PolarHBondContact O-N 3.47Å
29I88.7Confident88.4Confident108 Ų10864.8 Ų64.855%0.55433%0.329SS*.Hα-helixtrans-60.4-49.3176.6-63167000110.7H25 L27 E31 F32 V33H25-I29 WeakPolarHBondContact O-CG1 3.43Å; H25-I29 PolarHBondContact O-N 3.38Å; L27-I29 VanDerWaalsContact C-N 3.3Å; L27-I29 PolarHBondContact O-N 3.19Å; I29-E31 PolarHBondContact O-N 3.2Å; I29-F32 PolarHBondContact O-N 3.46Å; I29-V33 WeakPolarHBondContact O-CG2 3.3Å; I29-V33 PolarHBondContact O-N 2.88Å
30L87.4Confident88.7Confident49 Ų4964.7 Ų64.726%0.25733%0.331SS..Hα-helixtrans-67.6-35.2-179.8-78.3167.5000112.9L3 L10 C26 L27 V33 M34L3-L30 HydrophobicContact CD2-CD2 3.75Å; L10-L30 HydrophobicContact CD1-CD1 3.27Å; C26-L30 WeakPolarHBondContact O-CB 3.5Å; C26-L30 WeakPolarHBondContact O-CG 3.43Å; C26-L30 PolarHBondContact O-N 3.43Å; L27-L30 PolarHBondContact O-N 3.4Å; L30-V33 PolarHBondContact O-N 2.82Å; L30-M34 VanDerWaalsContact O-CB 3.24Å; L30-M34 WeakPolarHBondContact O-CB 3.24Å; L30-M34 WeakPolarHBondContact O-CG 3.03Å; L30-M34 PolarHBondContact O-N 3.08Å
31E86.4Confident89.1Confident10 Ų1062.8 Ų62.85%0.04732%0.322CS..Hα-helixtrans-65.5-42.1175.6-75.3-163.9-125.600111.8L27 L28 I29 M34 I35 V84 Q105 R108L27-E31 WeakPolarHBondContact O-CB 3.33Å; L27-E31 VanDerWaalsContact O-CG 3.31Å; L27-E31 WeakPolarHBondContact O-CG 3.45Å; L27-E31 PolarHBondContact O-N 2.87Å; L28-E31 PolarHBondContact O-N 3.12Å; I29-E31 PolarHBondContact O-N 3.2Å; E31-M34 PolarHBondContact O-N 3.2Å; E31-I35 VanDerWaalsContact O-CG1 3.29Å; E31-I35 WeakPolarHBondContact O-CG1 3.43Å; E31-I35 PolarHBondContact O-N 3.33Å; E31-V84 HydrophobicContact CB-CG2 4.29Å; E31-Q105 PolarHBondContact OE1-NE2 3.34Å; E31-Q105 PolarHBondContact OE2-NE2 2.91Å; E31-R108 IonicContact OE2-NH1 3.3Å; E31-R108 IonicContact OE2-NH2 3.78Å; E31-R108 PolarHBondContact OE2-NH2 3.34Å
32F88.8Confident89.4Confident123 Ų12356.7 Ų56.754%0.53929%0.293SS..Hα-helixtrans-60.7-50.1173-179.1-99.1000111.6L28 I29 M34 I35 V36L28-F32 PolarHBondContact O-N 3.47Å; I29-F32 PolarHBondContact O-N 3.46Å; F32-M34 VanDerWaalsContact C-N 3.27Å; F32-M34 PolarHBondContact O-N 3.49Å; F32-I35 PolarHBondContact O-N 3.47Å; F32-V36 HydrophobicContact CE1-CG2 4.14Å; F32-V36 HydrophobicContact CZ-CG2 4.15Å; F32-V36 WeakPolarHBondContact O-CG2 3.37Å; F32-V36 PolarHBondContact O-N 3.03Å; F32-V36 VanDerWaalsContact O-N 3.08Å
33V91.6Very high89.7Confident58 Ų5854.6 Ų54.635%0.35229%0.287SS..Hα-helixtrans-57.2-41.5175.5170.80000111.2L3 I29 L30 V36 V37L3-V33 HydrophobicContact CD1-CG1 4.46Å; I29-V33 WeakPolarHBondContact O-CG2 3.3Å; I29-V33 PolarHBondContact O-N 2.88Å; L30-V33 PolarHBondContact O-N 2.82Å; V33-V36 PolarHBondContact O-N 3.4Å; V33-V37 HydrophobicContact CG1-CG2 4.19Å; V33-V37 WeakPolarHBondContact O-CB 3.07Å; V33-V37 VanDerWaalsContact O-CG2 3.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.13Å; V33-V37 PolarHBondContact O-N 3.16Å
34M88.1Confident90Very high1 Ų159.3 Ų59.31%0.00531%0.311CS..Hα-helixtrans-64.9-41.1178.2-73.8-89-84.200112.8L3 V4 C7 L30 E31 F32 F38L3-M34 HydrophobicContact CB-SD 3.96Å; L3-M34 HydrophobicContact CD2-CG 3.66Å; L3-M34 HydrophobicContact CD2-SD 3.54Å; L3-M34 VanDerWaalsContact CD2-SD 3.54Å; L3-M34 HydrophobicContact CG-SD 4.25Å; V4-M34 HydrophobicContact CB-CE 4.24Å; V4-M34 HydrophobicContact CG2-CE 4.01Å; C7-M34 HydrophobicContact CB-CE 4.17Å; L30-M34 VanDerWaalsContact O-CB 3.24Å; L30-M34 WeakPolarHBondContact O-CB 3.24Å; L30-M34 WeakPolarHBondContact O-CG 3.03Å; L30-M34 PolarHBondContact O-N 3.08Å; E31-M34 PolarHBondContact O-N 3.2Å; F32-M34 VanDerWaalsContact C-N 3.27Å; F32-M34 PolarHBondContact O-N 3.49Å; M34-F38 HydrophobicContact CB-CE2 4.43Å; M34-F38 HydrophobicContact CE-CE2 3.44Å; M34-F38 VanDerWaalsContact CE-CE2 3.44Å; M34-F38 HydrophobicContact CE-CZ 3.56Å; M34-F38 VanDerWaalsContact O-CB 3.23Å; M34-F38 WeakPolarHBondContact O-CB 3.4Å; M34-F38 WeakPolarHBondContact O-CG 3.24Å; M34-F38 PolarHBondContact O-N 3.38Å; M34-F38 HydrophobicContact SD-CE1 3.91Å; M34-F38 HydrophobicContact SD-CE2 3.59Å; M34-F38 VanDerWaalsContact SD-CE2 3.59Å; M34-F38 HydrophobicContact SD-CZ 3.19Å; M34-F38 WeakPolarHBondContact SD-CZ 2.96Å
35I91.2Very high90.5Very high28 Ų2859.8 Ų59.814%0.14431%0.308CS..Hα-helixtrans-61.4-47.1175.7-72.3162.2000110.3E31 F32 G39 L77 S80 V81 V84E31-I35 VanDerWaalsContact O-CG1 3.29Å; E31-I35 WeakPolarHBondContact O-CG1 3.43Å; E31-I35 PolarHBondContact O-N 3.33Å; F32-I35 PolarHBondContact O-N 3.47Å; I35-G39 PolarHBondContact O-N 3.32Å; I35-L77 HydrophobicContact CG2-CD1 4.42Å; I35-S80 WeakPolarHBondContact CD1-O 3.19Å; I35-V81 HydrophobicContact CG2-CG2 3.67Å; I35-V84 HydrophobicContact CD1-CB 3.99Å; I35-V84 HydrophobicContact CD1-CG2 3.5Å
36V93.6Very high90.8Very high65 Ų6555.2 Ų55.239%0.39429%0.288SS..Hα-helixtrans-62.6-52.4178.3175.70000110.8F32 V33 F38 G39 L40F32-V36 HydrophobicContact CE1-CG2 4.14Å; F32-V36 HydrophobicContact CZ-CG2 4.15Å; F32-V36 WeakPolarHBondContact O-CG2 3.37Å; F32-V36 PolarHBondContact O-N 3.03Å; F32-V36 VanDerWaalsContact O-N 3.08Å; V33-V36 PolarHBondContact O-N 3.4Å; V36-F38 VanDerWaalsContact C-N 3.35Å; V36-F38 PolarHBondContact O-N 3.49Å; V36-G39 PolarHBondContact O-N 2.79Å; V36-L40 HydrophobicContact CG1-CD1 3.94Å; V36-L40 WeakPolarHBondContact O-CB 3.36Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.48Å; V36-L40 PolarHBondContact O-N 3.06Å
37V93.3Very high91Very high67 Ų6762.1 Ų62.141%0.40631%0.309SS..Hα-helixtrans-62.4-40-178173.70000111.6V33 E41V33-V37 HydrophobicContact CG1-CG2 4.19Å; V33-V37 WeakPolarHBondContact O-CB 3.07Å; V33-V37 VanDerWaalsContact O-CG2 3.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.13Å; V33-V37 PolarHBondContact O-N 3.16Å; V37-E41 VanDerWaalsContact O-CB 3.31Å; V37-E41 WeakPolarHBondContact O-CB 3.16Å; V37-E41 PolarHBondContact O-N 3.5Å
38F91.1Very high91.3Very high22 Ų2264.5 Ų64.510%0.09633%0.326CS..Hα-helixtrans-82.2-31.8-178.1-62.2-7000112.9V4 M34 V36 E41 Y42 R111V4-F38 HydrophobicContact CG2-CE2 4.18Å; V4-F38 HydrophobicContact CG2-CZ 3.65Å; M34-F38 HydrophobicContact CB-CE2 4.43Å; M34-F38 HydrophobicContact CE-CE2 3.44Å; M34-F38 VanDerWaalsContact CE-CE2 3.44Å; M34-F38 HydrophobicContact CE-CZ 3.56Å; M34-F38 VanDerWaalsContact O-CB 3.23Å; M34-F38 WeakPolarHBondContact O-CB 3.4Å; M34-F38 WeakPolarHBondContact O-CG 3.24Å; M34-F38 PolarHBondContact O-N 3.38Å; M34-F38 HydrophobicContact SD-CE1 3.91Å; M34-F38 HydrophobicContact SD-CE2 3.59Å; M34-F38 VanDerWaalsContact SD-CE2 3.59Å; M34-F38 HydrophobicContact SD-CZ 3.19Å; M34-F38 WeakPolarHBondContact SD-CZ 2.96Å; V36-F38 VanDerWaalsContact C-N 3.35Å; V36-F38 PolarHBondContact O-N 3.49Å; F38-E41 PolarHBondContact O-N 2.84Å; F38-Y42 WeakPolarHBondContact O-CB 3.41Å; F38-Y42 PolarHBondContact O-N 3.03Å; F38-R111 VanDerWaalsContact CE2-NH2 3.35Å; F38-R111 VanDerWaalsContact CG-NH2 3.3Å
39G93.1Very high91.6Very high13 Ų1359.7 Ų59.713%0.13430%0.302CS..Hα-helixtrans-60.6-49.5169.300000111.3I35 V36 Y42 I43I35-G39 PolarHBondContact O-N 3.32Å; V36-G39 PolarHBondContact O-N 2.79Å; G39-Y42 PolarHBondContact O-N 2.74Å; G39-I43 WeakPolarHBondContact O-CD1 3.23Å; G39-I43 VanDerWaalsContact O-CG1 3.27Å; G39-I43 WeakPolarHBondContact O-CG1 3.42Å; G39-I43 PolarHBondContact O-N 3.18Å
40L95.3Very high91.6Very high97 Ų9755.9 Ų55.951%0.50829%0.29SS..Hα-helixtrans-61-47.4174.8-70.1173.3000111.9V36 Y42 I43 I44V36-L40 HydrophobicContact CG1-CD1 3.94Å; V36-L40 WeakPolarHBondContact O-CB 3.36Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.48Å; V36-L40 PolarHBondContact O-N 3.06Å; L40-Y42 VanDerWaalsContact C-N 3.31Å; L40-Y42 PolarHBondContact O-N 3.33Å; L40-I43 PolarHBondContact O-N 3.34Å; L40-I44 WeakPolarHBondContact O-CB 3.36Å; L40-I44 WeakPolarHBondContact O-CD1 3.22Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 3.3Å
41E93.9Very high91.7Very high53 Ų5358.9 Ų58.925%0.24831%0.314CS..Hα-helixtrans-61.6-39.2178.6-164.1-106.1142.100111.8V37 F38 R45 R111 R114V37-E41 VanDerWaalsContact O-CB 3.31Å; V37-E41 WeakPolarHBondContact O-CB 3.16Å; V37-E41 PolarHBondContact O-N 3.5Å; F38-E41 PolarHBondContact O-N 2.84Å; E41-R45 WeakPolarHBondContact O-CB 3.29Å; E41-R45 PolarHBondContact O-N 3.3Å; E41-R45 IonicContact OE1-CZ 3.03Å; E41-R45 IonicContact OE1-NE 3.16Å; E41-R45 PolarHBondContact OE1-NE 2.91Å; E41-R45 IonicContact OE1-NH2 3.88Å; E41-R45 PolarHBondContact OE1-NH2 3.45Å; E41-R45 IonicContact OE2-CZ 2.69Å; E41-R45 IonicContact OE2-NH2 2.89Å; E41-R45 PolarHBondContact OE2-NH2 2.93Å; E41-R111 IonicContact OE2-NH1 2.63Å; E41-R114 IonicContact OE1-NH1 2.72Å
42Y92.4Very high91.5Very high28 Ų2861.4 Ų61.411%0.1133%0.332CS..Hα-helixtrans-64.4-47.2176.1-176.8-96.5000112.4F38 G39 L40 R45 I46 C70 D73 I74F38-Y42 WeakPolarHBondContact O-CB 3.41Å; F38-Y42 PolarHBondContact O-N 3.03Å; G39-Y42 PolarHBondContact O-N 2.74Å; L40-Y42 VanDerWaalsContact C-N 3.31Å; L40-Y42 PolarHBondContact O-N 3.33Å; Y42-R45 PolarHBondContact O-N 3.12Å; Y42-I46 HydrophobicContact CD1-CD1 3.98Å; Y42-I46 HydrophobicContact CE1-CD1 3.32Å; Y42-I46 HydrophobicContact CE1-CG1 4.4Å; Y42-I46 HydrophobicContact CE2-CD1 4.25Å; Y42-I46 VanDerWaalsContact CZ-CD1 3.47Å; Y42-I46 PolarHBondContact O-N 3.35Å; Y42-C70 VanDerWaalsContact CE2-SG 3.58Å; Y42-D73 HydrophobicContact CD2-CB 4.18Å; Y42-D73 HydrophobicContact CE2-CB 4.36Å; Y42-I74 HydrophobicContact CD1-CD1 4.49Å; Y42-I74 HydrophobicContact CE1-CB 4.43Å; Y42-I74 HydrophobicContact CE1-CD1 3.91Å; Y42-I74 HydrophobicContact CE1-CG1 4.43Å; Y42-I74 HydrophobicContact CE2-CB 3.94Å
43I94Very high91.1Very high109 Ų10961.6 Ų61.656%0.55935%0.347SS*.Hα-helixtrans-61.8-50.1177.6-68164.3000110.4G39 L40 R45 I46 W47G39-I43 WeakPolarHBondContact O-CD1 3.23Å; G39-I43 VanDerWaalsContact O-CG1 3.27Å; G39-I43 WeakPolarHBondContact O-CG1 3.42Å; G39-I43 PolarHBondContact O-N 3.18Å; L40-I43 PolarHBondContact O-N 3.34Å; I43-R45 VanDerWaalsContact C-N 3.27Å; I43-R45 PolarHBondContact O-N 3.41Å; I43-I46 PolarHBondContact O-N 3.26Å; I43-W47 WeakPolarHBondContact O-CB 3.47Å; I43-W47 PolarHBondContact O-N 3.46Å
44I94.8Very high90.7Very high103 Ų10367.6 Ų67.653%0.52836%0.363SS..Hα-helixtrans-60.4-38.8178-67.6165.7000110.4L40 W47 S48L40-I44 WeakPolarHBondContact O-CB 3.36Å; L40-I44 WeakPolarHBondContact O-CD1 3.22Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 3.3Å; I44-W47 PolarHBondContact O-N 3.44Å; I44-S48 VanDerWaalsContact O-CB 3.24Å; I44-S48 WeakPolarHBondContact O-CB 3.27Å; I44-S48 PolarHBondContact O-N 3.22Å; I44-S48 PolarHBondContact O-OG 2.98Å
45R92.1Very high90.7Very high41 Ų4169.3 Ų69.316%0.15537%0.37CS..Hα-helixtrans-67.3-39.3177.7-159.6-164.9-55.3146.5-12.1112.7E41 Y42 I43 S48 A49 F64 D73E41-R45 WeakPolarHBondContact O-CB 3.29Å; E41-R45 PolarHBondContact O-N 3.3Å; E41-R45 IonicContact OE1-CZ 3.03Å; E41-R45 IonicContact OE1-NE 3.16Å; E41-R45 PolarHBondContact OE1-NE 2.91Å; E41-R45 IonicContact OE1-NH2 3.88Å; E41-R45 PolarHBondContact OE1-NH2 3.45Å; E41-R45 IonicContact OE2-CZ 2.69Å; E41-R45 IonicContact OE2-NH2 2.89Å; E41-R45 PolarHBondContact OE2-NH2 2.93Å; Y42-R45 PolarHBondContact O-N 3.12Å; I43-R45 VanDerWaalsContact C-N 3.27Å; I43-R45 PolarHBondContact O-N 3.41Å; R45-S48 WeakPolarHBondContact CA-OG 3.35Å; R45-S48 PolarHBondContact O-OG 2.92Å; R45-A49 WeakPolarHBondContact O-CB 3.44Å; R45-A49 PolarHBondContact O-N 3.13Å; R45-F64 HydrophobicContact CG-CE1 4.45Å; R45-F64 HydrophobicContact CG-CZ 4.46Å; R45-D73 IonicContact CZ-OD2 3.73Å; R45-D73 IonicContact NH1-OD2 2.7Å; R45-D73 PolarHBondContact NH1-OD2 3.38Å; R45-D73 IonicContact NH2-OD2 3.41Å; R45-D73 PolarHBondContact NH2-OD2 2.94Å
46I92.4Very high90.3Very high39 Ų3978.3 Ų78.320%0.240%0.402CS..Hα-helixtrans-69.1-40.7174.7-72.7-179.7000111.4Y42 I43 R61Y42-I46 HydrophobicContact CD1-CD1 3.98Å; Y42-I46 HydrophobicContact CE1-CD1 3.32Å; Y42-I46 HydrophobicContact CE1-CG1 4.4Å; Y42-I46 HydrophobicContact CE2-CD1 4.25Å; Y42-I46 VanDerWaalsContact CZ-CD1 3.47Å; Y42-I46 PolarHBondContact O-N 3.35Å; I43-I46 PolarHBondContact O-N 3.26Å; I46-R61 HydrophobicContact CG2-CB 4.34Å
47W93.3Very high90.1Very high179 Ų17977.5 Ų77.568%0.67841%0.407SS*.Hα-helixtrans-64.1-52178.4-17988.6000111.2I43 I44 A49 G50 R61I43-W47 WeakPolarHBondContact O-CB 3.47Å; I43-W47 PolarHBondContact O-N 3.46Å; I44-W47 PolarHBondContact O-N 3.44Å; W47-A49 VanDerWaalsContact C-N 3.31Å; W47-A49 PolarHBondContact O-N 3.17Å; W47-G50 PolarHBondContact O-N 3.09Å; W47-G50 VanDerWaalsContact O-N 3.17Å; W47-R61 PolarHBondContact O-NH2 2.93Å
48S92.9Very high89.8Confident51 Ų5184.3 Ų84.336%0.35743%0.425SS..Hα-helixtrans-66-26.118058.70000113.9I44 R45 G50 C51I44-S48 VanDerWaalsContact O-CB 3.24Å; I44-S48 WeakPolarHBondContact O-CB 3.27Å; I44-S48 PolarHBondContact O-N 3.22Å; I44-S48 PolarHBondContact O-OG 2.98Å; R45-S48 WeakPolarHBondContact CA-OG 3.35Å; R45-S48 PolarHBondContact O-OG 2.92Å; S48-G50 PolarHBondContact O-N 3.31Å; S48-C51 WeakPolarHBondContact O-CB 3.47Å; S48-C51 PolarHBondContact O-N 3.09Å; S48-C51 PolarHBondContact O-SG 2.63Å
49A89.6Confident89.7Confident10 Ų1090.8 Ų90.88%0.08346%0.456CS..G310 helixtrans-56-20.9172.500000113.5R45 W47 C51 C52 F64R45-A49 WeakPolarHBondContact O-CB 3.44Å; R45-A49 PolarHBondContact O-N 3.13Å; W47-A49 VanDerWaalsContact C-N 3.31Å; W47-A49 PolarHBondContact O-N 3.17Å; A49-C51 PolarHBondContact O-N 3.07Å; A49-C52 PolarHBondContact O-N 2.79Å; A49-F64 HydrophobicContact CB-CB 4.47Å; A49-F64 HydrophobicContact CB-CD1 3.94Å; A49-F64 HydrophobicContact CB-CD2 3.78Å; A49-F64 HydrophobicContact CB-CE1 4.06Å; A49-F64 HydrophobicContact CB-CE2 3.91Å; A49-F64 HydrophobicContact CB-CG 3.81Å; A49-F64 HydrophobicContact CB-CZ 4.05Å
50G88.4Confident89.6Confident28 Ų2890.4 Ų90.429%0.28945%0.452SS..G310 helixtrans-63.7-14.7172.400000115.4W47 S48 C52W47-G50 PolarHBondContact O-N 3.09Å; W47-G50 VanDerWaalsContact O-N 3.17Å; S48-G50 PolarHBondContact O-N 3.31Å; G50-C52 PolarHBondContact O-N 3.37Å
51C88.6Confident89.4Confident112 Ų11289.6 Ų89.676%0.75744%0.442SS*.G310 helixtrans-63.8-25.8175.172.30000112.8S48 A49S48-C51 WeakPolarHBondContact O-CB 3.47Å; S48-C51 PolarHBondContact O-N 3.09Å; S48-C51 PolarHBondContact O-SG 2.63Å; A49-C51 PolarHBondContact O-N 3.07Å
52C82.8Confident89.2Confident63 Ų6390.9 Ų90.943%0.42645%0.45SS..SBendtrans-88.4123.4179-78.10000110.5A49 G50 R54 Y55A49-C52 PolarHBondContact O-N 2.79Å; G50-C52 PolarHBondContact O-N 3.37Å; C52-R54 PolarHBondContact O-N 3.15Å; C52-Y55 HydrophobicContact CB-CD2 3.75Å; C52-Y55 HydrophobicContact CB-CE2 4.25Å; C52-Y55 PolarHBondContact O-N 2.93Å
53C80.4Confident89.1Confident126 Ų12696.8 Ų96.885%0.85147%0.472SS*.G310 helixtrans-51.3-25.2179.3-52.80000114.4Y55C53-Y55 VanDerWaalsContact C-N 3.35Å; C53-Y55 PolarHBondContact O-N 3.21Å
54R83.7Confident89Confident185 Ų18593.1 Ų93.170%0.69845%0.452SS*.G310 helixtrans-70.8-20.6177-175169-178.8147.82.5114.9C52C52-R54 PolarHBondContact O-N 3.15Å
55Y87.6Confident88.8Confident37 Ų3789.1 Ų89.115%0.14544%0.435CS..G310 helixtrans-122.521.8-175.5-48.6-70.9000112.9C52 C53 G60 R61 F64 K67C52-Y55 HydrophobicContact CB-CD2 3.75Å; C52-Y55 HydrophobicContact CB-CE2 4.25Å; C52-Y55 PolarHBondContact O-N 2.93Å; C53-Y55 VanDerWaalsContact C-N 3.35Å; C53-Y55 PolarHBondContact O-N 3.21Å; Y55-G60 CarbonylContact O-C 3.59Å; Y55-R61 PolarHBondContact O-N 2.8Å; Y55-F64 HydrophobicContact CD1-CB 3.93Å; Y55-F64 HydrophobicContact CD1-CD2 4.41Å; Y55-F64 HydrophobicContact CD2-CD2 4.21Å; Y55-F64 HydrophobicContact CE1-CB 4.35Å; Y55-F64 HydrophobicContact CE1-CD2 4.34Å; Y55-F64 HydrophobicContact CE2-CD2 4.18Å; Y55-F64 HydrophobicContact CG-CB 4.26Å; Y55-F64 HydrophobicContact CG-CD2 4.36Å; Y55-K67 PolarHBondContact OH-NZ 3.23Å
56R83.1Confident88.8Confident216 Ų21696.1 Ų96.182%0.81546%0.461SS*.  trans-66.4143.4175.7-165.5170.3-179.3160.4-0.2111.1
57G89Confident88.7Confident48 Ų4897.9 Ų97.950%0.49547%0.467SS..Hα-helixtrans75171.9-178.800000114.7Q59 G60 R61G57-Q59 PolarHBondContact O-N 3.02Å; G57-G60 PolarHBondContact O-N 2.86Å; G57-G60 VanDerWaalsContact O-N 3.11Å; G57-R61 PolarHBondContact O-N 2.99Å
58W87.7Confident88.4Confident210 Ų21093.8 Ų93.880%0.79546%0.464SS*.Hα-helixtrans-58.6-47-176.9-177.8-106000113G60 R61 L62W58-G60 VanDerWaalsContact C-N 3.25Å; W58-G60 PolarHBondContact O-N 3.04Å; W58-R61 PolarHBondContact O-N 3.19Å; W58-L62 PolarHBondContact O-N 3.29Å
59Q89.5Confident88Confident159 Ų15994.2 Ų94.274%0.74346%0.459SS*.Hα-helixtrans-61-34.3176.1-63.2-177.8-2.200112.5G57 R63G57-Q59 PolarHBondContact O-N 3.02Å; Q59-R63 WeakPolarHBondContact O-CB 3.49Å; Q59-R63 PolarHBondContact O-N 3.24Å
60G89.8Confident88Confident5 Ų594 Ų945%0.05246%0.457CS..Hα-helixtrans-67.1-43.8175.100000112.6Y55 G57 W58 R63 F64Y55-G60 CarbonylContact O-C 3.59Å; G57-G60 PolarHBondContact O-N 2.86Å; G57-G60 VanDerWaalsContact O-N 3.11Å; W58-G60 VanDerWaalsContact C-N 3.25Å; W58-G60 PolarHBondContact O-N 3.04Å; G60-R63 WeakPolarHBondContact O-CB 3.3Å; G60-R63 PolarHBondContact O-N 2.95Å; G60-F64 PolarHBondContact O-N 2.81Å; G60-F64 VanDerWaalsContact O-N 3.12Å
61R91.6Very high88.1Confident80 Ų8095.4 Ų95.430%0.30246%0.46SS..Hα-helixtrans-64.7-43.6174.3-71.6-179.2170177.5-3112.2I46 W47 Y55 G57 W58 R63 F64 A65I46-R61 HydrophobicContact CG2-CB 4.34Å; W47-R61 PolarHBondContact O-NH2 2.93Å; Y55-R61 PolarHBondContact O-N 2.8Å; G57-R61 PolarHBondContact O-N 2.99Å; W58-R61 PolarHBondContact O-N 3.19Å; R61-R63 VanDerWaalsContact C-N 3.31Å; R61-R63 PolarHBondContact O-N 2.57Å; R61-F64 WeakPolarHBondContact O-CA 3.24Å; R61-F64 WeakPolarHBondContact O-CB 3.29Å; R61-F64 PolarHBondContact O-N 2.85Å; R61-A65 PolarHBondContact O-N 3.47Å
62L89.9Confident88.1Confident79 Ų7992.7 Ų92.741%0.41444%0.437SS..Hα-helixtrans-61.9-38.3175.2-175.462.1000112.2W58 F64 A65 R66W58-L62 PolarHBondContact O-N 3.29Å; L62-F64 VanDerWaalsContact C-N 3.26Å; L62-F64 PolarHBondContact O-N 3.34Å; L62-A65 PolarHBondContact O-N 3.4Å; L62-R66 WeakPolarHBondContact O-CG 3.39Å; L62-R66 PolarHBondContact O-N 2.92Å
63R90.6Very high88.4Confident152 Ų15290 Ų9057%0.57442%0.418SS*.Hα-helixtrans-64.1-29.1172.4-175.6-174.5-68.2165.3-4.2112.7Q59 G60 R61Q59-R63 WeakPolarHBondContact O-CB 3.49Å; Q59-R63 PolarHBondContact O-N 3.24Å; G60-R63 WeakPolarHBondContact O-CB 3.3Å; G60-R63 PolarHBondContact O-N 2.95Å; R61-R63 VanDerWaalsContact C-N 3.31Å; R61-R63 PolarHBondContact O-N 2.57Å
64F91.3Very high88.8Confident33 Ų3386.3 Ų86.315%0.14539%0.39CS..Hα-helixtrans-74-43.3172.3-177.5-88.2000111.6R45 A49 Y55 G60 R61 L62 R66 K67R45-F64 HydrophobicContact CG-CE1 4.45Å; R45-F64 HydrophobicContact CG-CZ 4.46Å; A49-F64 HydrophobicContact CB-CB 4.47Å; A49-F64 HydrophobicContact CB-CD1 3.94Å; A49-F64 HydrophobicContact CB-CD2 3.78Å; A49-F64 HydrophobicContact CB-CE1 4.06Å; A49-F64 HydrophobicContact CB-CE2 3.91Å; A49-F64 HydrophobicContact CB-CG 3.81Å; A49-F64 HydrophobicContact CB-CZ 4.05Å; Y55-F64 HydrophobicContact CD1-CB 3.93Å; Y55-F64 HydrophobicContact CD1-CD2 4.41Å; Y55-F64 HydrophobicContact CD2-CD2 4.21Å; Y55-F64 HydrophobicContact CE1-CB 4.35Å; Y55-F64 HydrophobicContact CE1-CD2 4.34Å; Y55-F64 HydrophobicContact CE2-CD2 4.18Å; Y55-F64 HydrophobicContact CG-CB 4.26Å; Y55-F64 HydrophobicContact CG-CD2 4.36Å; G60-F64 PolarHBondContact O-N 2.81Å; G60-F64 VanDerWaalsContact O-N 3.12Å; R61-F64 WeakPolarHBondContact O-CA 3.24Å; R61-F64 WeakPolarHBondContact O-CB 3.29Å; R61-F64 PolarHBondContact O-N 2.85Å; L62-F64 VanDerWaalsContact C-N 3.26Å; L62-F64 PolarHBondContact O-N 3.34Å; F64-R66 VanDerWaalsContact C-N 3.31Å; F64-R66 PolarHBondContact O-N 3.09Å; F64-K67 HydrophobicContact CD2-CD 4.33Å; F64-K67 VanDerWaalsContact CD2-NZ 3.33Å; F64-K67 WeakPolarHBondContact O-CB 3.29Å; F64-K67 WeakPolarHBondContact O-CG 3.26Å; F64-K67 PolarHBondContact O-N 3.48Å
65A90.3Very high89.1Confident19 Ų1981.7 Ų81.716%0.15738%0.378CS..Hα-helixtrans-61.5-34178.100000113.3R61 L62 K67 C70 V71R61-A65 PolarHBondContact O-N 3.47Å; L62-A65 PolarHBondContact O-N 3.4Å; A65-K67 PolarHBondContact O-N 3.26Å; A65-K67 VanDerWaalsContact O-N 3.08Å; A65-C70 WeakPolarHBondContact O-CB 3.31Å; A65-V71 WeakPolarHBondContact O-CG2 3.4Å
66R91.9Very high89.1Confident188 Ų18880.4 Ų80.471%0.70937%0.374SS*.THydrogen-bonded Turntrans-70.86.8176-70.9179.9-179.5-179.20115.5L62 F64L62-R66 WeakPolarHBondContact O-CG 3.39Å; L62-R66 PolarHBondContact O-N 2.92Å; F64-R66 VanDerWaalsContact C-N 3.31Å; F64-R66 PolarHBondContact O-N 3.09Å
67K89.8Confident89.4Confident75 Ų7571.5 Ų71.533%0.32634%0.343SS..SBendtrans-75.4142.1172.6-72.2175.8-179.5172.40110.4Y55 F64 A65 F69 C70 V71Y55-K67 PolarHBondContact OH-NZ 3.23Å; F64-K67 HydrophobicContact CD2-CD 4.33Å; F64-K67 VanDerWaalsContact CD2-NZ 3.33Å; F64-K67 WeakPolarHBondContact O-CB 3.29Å; F64-K67 WeakPolarHBondContact O-CG 3.26Å; F64-K67 PolarHBondContact O-N 3.48Å; A65-K67 PolarHBondContact O-N 3.26Å; A65-K67 VanDerWaalsContact O-N 3.08Å; K67-F69 PolarHBondContact O-N 3.16Å; K67-C70 HydrophobicContact CB-CB 4.31Å; K67-C70 WeakPolarHBondContact O-CA 3.47Å; K67-C70 WeakPolarHBondContact O-CB 3.31Å; K67-C70 PolarHBondContact O-N 2.94Å; K67-V71 WeakPolarHBondContact O-CG2 3.23Å; K67-V71 PolarHBondContact O-N 3.4Å
68P87.3Confident89.4Confident93 Ų9374.1 Ų74.160%0.60434%0.344SS*.Hα-helixtrans-55.4-45.8-172.120.2-33000113.4C70 V71 I72P68-C70 VanDerWaalsContact C-N 3.3Å; P68-C70 PolarHBondContact O-N 3.47Å; P68-V71 PolarHBondContact O-N 3.32Å; P68-I72 WeakPolarHBondContact O-CG1 3.2Å; P68-I72 PolarHBondContact O-N 3.17Å
69F85.6Confident89.2Confident60 Ų6066 Ų6626%0.26332%0.318SS..Hα-helixtrans-63.6-30.8176-66.1-75.5000114.2K67 D73 D113K67-F69 PolarHBondContact O-N 3.16Å; F69-D73 WeakPolarHBondContact O-CB 3.32Å; F69-D73 PolarHBondContact O-N 3.43Å; F69-D73 VanDerWaalsContact O-N 3.16Å; F69-D113 WeakPolarHBondContact CE1-O 3.27Å
70C88.8Confident89Confident6 Ų658.9 Ų58.94%0.04129%0.286CS..Hα-helixtrans-78.1-33177.1-154.80000111.1Y42 A65 K67 P68 D73 I74Y42-C70 VanDerWaalsContact CE2-SG 3.58Å; A65-C70 WeakPolarHBondContact O-CB 3.31Å; K67-C70 HydrophobicContact CB-CB 4.31Å; K67-C70 WeakPolarHBondContact O-CA 3.47Å; K67-C70 WeakPolarHBondContact O-CB 3.31Å; K67-C70 PolarHBondContact O-N 2.94Å; P68-C70 VanDerWaalsContact C-N 3.3Å; P68-C70 PolarHBondContact O-N 3.47Å; C70-D73 PolarHBondContact O-N 3.43Å; C70-I74 WeakPolarHBondContact O-CG2 3.39Å; C70-I74 PolarHBondContact O-N 3.3Å; C70-I74 VanDerWaalsContact O-N 3.15Å
71V89.8Confident89Confident57 Ų5762 Ų6235%0.34530%0.303SS..Hα-helixtrans-66.2-43.7171.4174.80000111.1A65 K67 P68 D73 I74 I75A65-V71 WeakPolarHBondContact O-CG2 3.4Å; K67-V71 WeakPolarHBondContact O-CG2 3.23Å; K67-V71 PolarHBondContact O-N 3.4Å; P68-V71 PolarHBondContact O-N 3.32Å; V71-D73 VanDerWaalsContact C-N 3.32Å; V71-D73 PolarHBondContact O-N 2.99Å; V71-I74 VanDerWaalsContact O-CG2 3.23Å; V71-I74 WeakPolarHBondContact O-CG2 3.24Å; V71-I74 PolarHBondContact O-N 2.94Å; V71-I75 HydrophobicContact CG1-CD1 3.75Å; V71-I75 HydrophobicContact CG1-CG1 4.45Å; V71-I75 VanDerWaalsContact O-CG1 3.26Å; V71-I75 WeakPolarHBondContact O-CG1 3.13Å; V71-I75 PolarHBondContact O-N 3.15Å
72I88.8Confident88.6Confident56 Ų5660.5 Ų60.529%0.28731%0.309SS..Hα-helixtrans-59.7-44.3174.1-68.2163.8000110.4P68 I74 I75 V76P68-I72 WeakPolarHBondContact O-CG1 3.2Å; P68-I72 PolarHBondContact O-N 3.17Å; I72-I74 PolarHBondContact O-N 2.95Å; I72-I75 PolarHBondContact O-N 3.42Å; I72-V76 HydrophobicContact CG2-CG2 4.25Å; I72-V76 WeakPolarHBondContact O-CB 3.44Å; I72-V76 VanDerWaalsContact O-CG2 3.26Å; I72-V76 WeakPolarHBondContact O-CG2 3.48Å; I72-V76 PolarHBondContact O-N 2.97Å
73D89.3Confident88.1Confident5 Ų557.4 Ų57.43%0.02729%0.293CS..Hα-helixtrans-63.5-41.5-178.1-149.216.5000112.7Y42 R45 F69 C70 V71 L77 R111Y42-D73 HydrophobicContact CD2-CB 4.18Å; Y42-D73 HydrophobicContact CE2-CB 4.36Å; R45-D73 IonicContact CZ-OD2 3.73Å; R45-D73 IonicContact NH1-OD2 2.7Å; R45-D73 PolarHBondContact NH1-OD2 3.38Å; R45-D73 IonicContact NH2-OD2 3.41Å; R45-D73 PolarHBondContact NH2-OD2 2.94Å; F69-D73 WeakPolarHBondContact O-CB 3.32Å; F69-D73 PolarHBondContact O-N 3.43Å; F69-D73 VanDerWaalsContact O-N 3.16Å; C70-D73 PolarHBondContact O-N 3.43Å; V71-D73 VanDerWaalsContact C-N 3.32Å; V71-D73 PolarHBondContact O-N 2.99Å; D73-L77 WeakPolarHBondContact O-CB 3.24Å; D73-L77 PolarHBondContact O-N 2.98Å; D73-R111 WeakPolarHBondContact OD1-CD 3.38Å; D73-R111 IonicContact OD1-CZ 3.95Å; D73-R111 IonicContact OD1-NE 2.84Å; D73-R111 IonicContact OD1-NH1 3.2Å; D73-R111 PolarHBondContact OD1-NH1 2.98Å; D73-R111 IonicContact OD2-NH1 3.67Å; D73-R111 PolarHBondContact OD2-NH1 2.94Å
74I90.4Very high87.7Confident49 Ų4952.1 Ų52.125%0.25128%0.277SS..Hα-helixtrans-72.9-36.2176.7-170.957.6000112.8Y42 C70 V71 I72 L77 I78Y42-I74 HydrophobicContact CD1-CD1 4.49Å; Y42-I74 HydrophobicContact CE1-CB 4.43Å; Y42-I74 HydrophobicContact CE1-CD1 3.91Å; Y42-I74 HydrophobicContact CE1-CG1 4.43Å; Y42-I74 HydrophobicContact CE2-CB 3.94Å; C70-I74 WeakPolarHBondContact O-CG2 3.39Å; C70-I74 PolarHBondContact O-N 3.3Å; C70-I74 VanDerWaalsContact O-N 3.15Å; V71-I74 VanDerWaalsContact O-CG2 3.23Å; V71-I74 WeakPolarHBondContact O-CG2 3.24Å; V71-I74 PolarHBondContact O-N 2.94Å; I72-I74 PolarHBondContact O-N 2.95Å; I74-L77 HydrophobicContact CD1-CD2 4.18Å; I74-L77 PolarHBondContact O-N 3.45Å; I74-I78 HydrophobicContact CD1-CD1 4.18Å; I74-I78 HydrophobicContact CD1-CG1 4.17Å; I74-I78 HydrophobicContact CG1-CD1 3.86Å; I74-I78 HydrophobicContact CG1-CG1 4.33Å; I74-I78 WeakPolarHBondContact O-CB 3.41Å; I74-I78 VanDerWaalsContact O-CG1 3.25Å; I74-I78 WeakPolarHBondContact O-CG1 3.3Å; I74-I78 PolarHBondContact O-N 2.83Å
75I88.7Confident87.2Confident89 Ų8954 Ų5446%0.45629%0.294SS..Hα-helixtrans-60.4-50.8172.7-70.7167.5000109.4V71 I72 L77 I78 T79V71-I75 HydrophobicContact CG1-CD1 3.75Å; V71-I75 HydrophobicContact CG1-CG1 4.45Å; V71-I75 VanDerWaalsContact O-CG1 3.26Å; V71-I75 WeakPolarHBondContact O-CG1 3.13Å; V71-I75 PolarHBondContact O-N 3.15Å; I72-I75 PolarHBondContact O-N 3.42Å; I75-L77 VanDerWaalsContact C-N 3.3Å; I75-L77 PolarHBondContact O-N 3.38Å; I75-I78 PolarHBondContact O-N 2.87Å; I75-T79 WeakPolarHBondContact O-CB 3.26Å; I75-T79 PolarHBondContact O-N 3.35Å; I75-T79 PolarHBondContact O-OG1 2.99Å; I75-T79 VanDerWaalsContact O-OG1 3.07Å
76V87.1Confident86.6Confident9 Ų954.9 Ų54.96%0.05530%0.302CS..Hα-helixtrans-60.6-38.3178.9168.10000111.8I72 S80 L107 R108I72-V76 HydrophobicContact CG2-CG2 4.25Å; I72-V76 WeakPolarHBondContact O-CB 3.44Å; I72-V76 VanDerWaalsContact O-CG2 3.26Å; I72-V76 WeakPolarHBondContact O-CG2 3.48Å; I72-V76 PolarHBondContact O-N 2.97Å; V76-S80 VanDerWaalsContact O-CB 3.32Å; V76-S80 WeakPolarHBondContact O-CB 3.49Å; V76-S80 PolarHBondContact O-N 3.06Å; V76-S80 PolarHBondContact O-OG 3.3Å; V76-L107 HydrophobicContact CG2-CB 3.83Å; V76-R108 HydrophobicContact CG1-CB 4.36Å; V76-R108 HydrophobicContact CG1-CG 3.43Å; V76-R108 VanDerWaalsContact CG1-CG 3.43Å
77L89.3Confident85.4Confident30 Ų3047.9 Ų47.916%0.15729%0.289CS..Hα-helixtrans-65.9-48.7175-175.565.2000111.8I35 D73 I74 I75 S80 V81I35-L77 HydrophobicContact CG2-CD1 4.42Å; D73-L77 WeakPolarHBondContact O-CB 3.24Å; D73-L77 PolarHBondContact O-N 2.98Å; I74-L77 HydrophobicContact CD1-CD2 4.18Å; I74-L77 PolarHBondContact O-N 3.45Å; I75-L77 VanDerWaalsContact C-N 3.3Å; I75-L77 PolarHBondContact O-N 3.38Å; L77-S80 PolarHBondContact O-N 2.89Å; L77-S80 VanDerWaalsContact O-N 3.17Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 2.91Å
78I89.4Confident84.4Confident103 Ų10349.4 Ų49.453%0.52831%0.309SS..Hα-helixtrans-59.7-48.3178.3-70.6167000110.7I74 I75 S80 V81 A82I74-I78 HydrophobicContact CD1-CD1 4.18Å; I74-I78 HydrophobicContact CD1-CG1 4.17Å; I74-I78 HydrophobicContact CG1-CD1 3.86Å; I74-I78 HydrophobicContact CG1-CG1 4.33Å; I74-I78 WeakPolarHBondContact O-CB 3.41Å; I74-I78 VanDerWaalsContact O-CG1 3.25Å; I74-I78 WeakPolarHBondContact O-CG1 3.3Å; I74-I78 PolarHBondContact O-N 2.83Å; I75-I78 PolarHBondContact O-N 2.87Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 2.66Å; I78-V81 PolarHBondContact O-N 3.23Å; I78-A82 WeakPolarHBondContact O-CB 3.43Å; I78-A82 PolarHBondContact O-N 3.34Å
79T85.1Confident83.3Confident38 Ų3852.6 Ų52.623%0.23332%0.315CS..Hα-helixtrans-57.6-43175.1-60.50000111.4I75 A82 V83 L104I75-T79 WeakPolarHBondContact O-CB 3.26Å; I75-T79 PolarHBondContact O-N 3.35Å; I75-T79 PolarHBondContact O-OG1 2.99Å; I75-T79 VanDerWaalsContact O-OG1 3.07Å; T79-A82 PolarHBondContact O-N 3.1Å; T79-V83 VanDerWaalsContact O-CG2 3.26Å; T79-V83 WeakPolarHBondContact O-CG2 3.5Å; T79-V83 PolarHBondContact O-N 3.27Å; T79-L104 HydrophobicContact CG2-CB 4.21Å; T79-L104 HydrophobicContact CG2-CD1 3.57Å
80S85.3Confident82.1Confident11 Ų1152.8 Ų52.88%0.07734%0.335CS..Hα-helixtrans-64.9-42.5179.6-58.70000112.3I35 V76 L77 I78 V83 V84 R108I35-S80 WeakPolarHBondContact CD1-O 3.19Å; V76-S80 VanDerWaalsContact O-CB 3.32Å; V76-S80 WeakPolarHBondContact O-CB 3.49Å; V76-S80 PolarHBondContact O-N 3.06Å; V76-S80 PolarHBondContact O-OG 3.3Å; L77-S80 PolarHBondContact O-N 2.89Å; L77-S80 VanDerWaalsContact O-N 3.17Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 2.66Å; S80-V83 PolarHBondContact O-N 3.09Å; S80-V84 PolarHBondContact O-N 2.94Å; S80-V84 VanDerWaalsContact O-N 3.17Å; S80-R108 PolarHBondContact OG-NE 3.09Å; S80-R108 PolarHBondContact OG-NH2 3.38Å
81V88Confident80.8Confident69 Ų6957.3 Ų57.342%0.41836%0.358SS..Hα-helixtrans-63.5-44.7175.9172.90000110.9I35 L77 I78 V83 V84 S85I35-V81 HydrophobicContact CG2-CG2 3.67Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 2.91Å; I78-V81 PolarHBondContact O-N 3.23Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 3.13Å; V81-V84 PolarHBondContact O-N 3.29Å; V81-S85 PolarHBondContact O-N 3.3Å; V81-S85 PolarHBondContact O-OG 3.28Å
82A84.4Confident79.4Confident50 Ų5060 Ų6041%0.41338%0.375SS..Hα-helixtrans-63.7-35.1178.900000113.2I78 T79 S85 A86I78-A82 WeakPolarHBondContact O-CB 3.43Å; I78-A82 PolarHBondContact O-N 3.34Å; T79-A82 PolarHBondContact O-N 3.1Å; A82-S85 PolarHBondContact O-OG 3.33Å; A82-A86 VanDerWaalsContact O-CB 3.24Å; A82-A86 WeakPolarHBondContact O-CB 3.3Å; A82-A86 PolarHBondContact O-N 2.95Å; A82-A86 VanDerWaalsContact O-N 3.09Å
83V79.9Confident77.8Confident13 Ų1366.1 Ų66.18%0.07940%0.399CS..Hα-helixtrans-63.4-52.2173.3165.60000110.7T79 S80 V81 S85 A86 G87 L98 L101T79-V83 VanDerWaalsContact O-CG2 3.26Å; T79-V83 WeakPolarHBondContact O-CG2 3.5Å; T79-V83 PolarHBondContact O-N 3.27Å; S80-V83 PolarHBondContact O-N 3.09Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 3.13Å; V83-S85 PolarHBondContact O-N 2.57Å; V83-A86 PolarHBondContact O-N 3.42Å; V83-G87 PolarHBondContact O-N 2.99Å; V83-L98 HydrophobicContact CB-CD2 4.02Å; V83-L98 HydrophobicContact CG1-CD2 3.7Å; V83-L98 HydrophobicContact CG2-CD2 4.3Å; V83-L98 WeakPolarHBondContact O-CD2 3.39Å; V83-L101 HydrophobicContact CG2-CB 3.46Å; V83-L101 VanDerWaalsContact CG2-CB 3.46Å; V83-L101 HydrophobicContact CG2-CD1 3.69Å; V83-L101 HydrophobicContact CG2-CG 4.13Å
84V81.8Confident76.3Confident42 Ų4266.8 Ų66.826%0.25541%0.406SS..Hα-helixtrans-67.7-37.7-176.8174.30000111.9E31 I35 S80 V81 G87 S88E31-V84 HydrophobicContact CB-CG2 4.29Å; I35-V84 HydrophobicContact CD1-CB 3.99Å; I35-V84 HydrophobicContact CD1-CG2 3.5Å; S80-V84 PolarHBondContact O-N 2.94Å; S80-V84 VanDerWaalsContact O-N 3.17Å; V81-V84 PolarHBondContact O-N 3.29Å; V84-G87 PolarHBondContact O-N 3.09Å; V84-S88 PolarHBondContact O-N 3.1Å
85S80.4Confident74.9Confident71 Ų7168.4 Ų68.450%0.49742%0.418SS..Hα-helixtrans-69.1-41.2177.764.30000113.1V81 A82 V83 G87 S88V81-S85 PolarHBondContact O-N 3.3Å; V81-S85 PolarHBondContact O-OG 3.28Å; A82-S85 PolarHBondContact O-OG 3.33Å; V83-S85 PolarHBondContact O-N 2.57Å; S85-G87 VanDerWaalsContact C-N 3.33Å; S85-G87 PolarHBondContact O-N 3.11Å; S85-S88 PolarHBondContact O-N 3.36Å
86A76.7Confident73.7Confident38 Ų3867.5 Ų67.531%0.31442%0.419SS..Hα-helixtrans-68.4-31.7176.400000112.5A82 V83 S88 Q89 L98A82-A86 VanDerWaalsContact O-CB 3.24Å; A82-A86 WeakPolarHBondContact O-CB 3.3Å; A82-A86 PolarHBondContact O-N 2.95Å; A82-A86 VanDerWaalsContact O-N 3.09Å; V83-A86 PolarHBondContact O-N 3.42Å; A86-S88 VanDerWaalsContact C-N 3.31Å; A86-S88 PolarHBondContact O-N 3.39Å; A86-Q89 PolarHBondContact O-N 3.4Å; A86-L98 HydrophobicContact CB-CD2 4.28Å
87G68.8Low72.5Confident42 Ų4269.4 Ų69.443%0.43344%0.436SS..Hα-helixtrans-65-30.617400000114.3V83 V84 S85 Q89 L98V83-G87 PolarHBondContact O-N 2.99Å; V84-G87 PolarHBondContact O-N 3.09Å; S85-G87 VanDerWaalsContact C-N 3.33Å; S85-G87 PolarHBondContact O-N 3.11Å; G87-Q89 VanDerWaalsContact C-N 3.29Å; G87-Q89 PolarHBondContact O-N 3.43Å; G87-L98 VanDerWaalsContact CA-CD1 3.41Å
88S68.8Low71.3Confident107 Ų10769 Ų6975%0.74843%0.434SS*.THydrogen-bonded Turntrans-73.9-15.4179.8-170.50000114.4V84 S85 A86V84-S88 PolarHBondContact O-N 3.1Å; S85-S88 PolarHBondContact O-N 3.36Å; A86-S88 VanDerWaalsContact C-N 3.31Å; A86-S88 PolarHBondContact O-N 3.39Å
89Q63.5Low70.2Confident159 Ų15971.5 Ų71.574%0.74344%0.437SS*.THydrogen-bonded Turntrans-89.73.6-173.8-75.5-93.3-36.500113.7A86 G87 N91A86-Q89 PolarHBondContact O-N 3.4Å; G87-Q89 VanDerWaalsContact C-N 3.29Å; G87-Q89 PolarHBondContact O-N 3.43Å; Q89-N91 PolarHBondContact O-N 3.03Å
90G59.4Low69.3Low65 Ų6573.8 Ų73.867%0.6745%0.454SS*.  trans63.12.317500000116.1V92G90-V92 PolarHBondContact O-N 2.63Å
91N62.8Low68.5Low101 Ų10176.1 Ų76.154%0.5447%0.466SS..  trans-76123.1-167.8-157-10.3000110.8Q89 F93 A94Q89-N91 PolarHBondContact O-N 3.03Å; N91-F93 PolarHBondContact O-N 3.38Å; N91-F93 VanDerWaalsContact O-N 3.16Å; N91-A94 HydrophobicContact CB-CB 4.44Å; N91-A94 WeakPolarHBondContact O-CA 3.49Å; N91-A94 WeakPolarHBondContact O-CB 3.44Å; N91-A94 PolarHBondContact O-N 3.06Å
92V59.9Low67.6Low113 Ų11376 Ų7669%0.68546%0.458SS*.Hα-helixtrans-66.9-23.3-165-157.10000113.4G90 T95G90-V92 PolarHBondContact O-N 2.63Å; V92-T95 PolarHBondContact O-OG1 3.43Å
93F55Low66.8Low184 Ų18480.8 Ų80.881%0.80747%0.47SS*.Hα-helixtrans-72.3-28.8170.1-83.3-87.3000113N91N91-F93 PolarHBondContact O-N 3.38Å; N91-F93 VanDerWaalsContact O-N 3.16Å
94A56.8Low66.2Low20 Ų2083.2 Ų83.217%0.16548%0.481CS..Hα-helixtrans-68.9-41177.700000111.1N91 S96 A97 L98N91-A94 HydrophobicContact CB-CB 4.44Å; N91-A94 WeakPolarHBondContact O-CA 3.49Å; N91-A94 WeakPolarHBondContact O-CB 3.44Å; N91-A94 PolarHBondContact O-N 3.06Å; A94-S96 VanDerWaalsContact C-N 3.28Å; A94-S96 PolarHBondContact O-N 2.88Å; A94-A97 PolarHBondContact O-N 3.26Å; A94-L98 HydrophobicContact CB-CD1 4Å; A94-L98 VanDerWaalsContact O-CB 3.3Å; A94-L98 WeakPolarHBondContact O-CB 3.46Å; A94-L98 WeakPolarHBondContact O-CD1 3.34Å; A94-L98 WeakPolarHBondContact O-CG 3.19Å; A94-L98 PolarHBondContact O-N 3.39Å
95T61.7Low65.6Low82 Ų8281.9 Ų81.950%0.50347%0.472SS..Hα-helixtrans-56-37.2-177.826.20000113.8V92 R99V92-T95 PolarHBondContact O-OG1 3.43Å; T95-R99 PolarHBondContact O-N 2.9Å
96S63.6Low65.5Low70 Ų7082.2 Ų82.249%0.4947%0.468SS..Hα-helixtrans-72.8-42.9174.2-70.80000113A94 L98 R99 S100A94-S96 VanDerWaalsContact C-N 3.28Å; A94-S96 PolarHBondContact O-N 2.88Å; S96-L98 PolarHBondContact O-N 2.82Å; S96-R99 PolarHBondContact O-N 3.24Å; S96-S100 PolarHBondContact O-N 2.81Å
97A61.6Low65.3Low49 Ų4984 Ų8441%0.40547%0.472SS..Hα-helixtrans-64.3-39.5176.400000112.3A94 R99 S100 L101A94-A97 PolarHBondContact O-N 3.26Å; A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 2.86Å; A97-S100 WeakPolarHBondContact O-CB 3.46Å; A97-S100 PolarHBondContact O-N 3.14Å; A97-S100 VanDerWaalsContact O-N 3.15Å; A97-L101 VanDerWaalsContact O-CG 3.31Å; A97-L101 WeakPolarHBondContact O-CG 3.46Å; A97-L101 PolarHBondContact O-N 2.94Å
98L64.6Low65.7Low21 Ų2182.3 Ų82.311%0.1145%0.452CS..Hα-helixtrans-62.4-37.4178.3-69.5165.5000112.1V83 A86 G87 A94 S96 S100 L101 R102V83-L98 HydrophobicContact CB-CD2 4.02Å; V83-L98 HydrophobicContact CG1-CD2 3.7Å; V83-L98 HydrophobicContact CG2-CD2 4.3Å; V83-L98 WeakPolarHBondContact O-CD2 3.39Å; A86-L98 HydrophobicContact CB-CD2 4.28Å; G87-L98 VanDerWaalsContact CA-CD1 3.41Å; A94-L98 HydrophobicContact CB-CD1 4Å; A94-L98 VanDerWaalsContact O-CB 3.3Å; A94-L98 WeakPolarHBondContact O-CB 3.46Å; A94-L98 WeakPolarHBondContact O-CD1 3.34Å; A94-L98 WeakPolarHBondContact O-CG 3.19Å; A94-L98 PolarHBondContact O-N 3.39Å; S96-L98 PolarHBondContact O-N 2.82Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3.5Å; L98-L101 PolarHBondContact O-N 2.65Å; L98-R102 PolarHBondContact O-N 2.88Å; L98-R102 VanDerWaalsContact O-N 3.12Å
99R66.4Low66.2Low157 Ų15781.7 Ų81.759%0.59244%0.439SS*.Hα-helixtrans-59.2-43.8173.5-169.9-177.3-70.8114.2-5.5111.2T95 S96 A97 R102T95-R99 PolarHBondContact O-N 2.9Å; S96-R99 PolarHBondContact O-N 3.24Å; A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 2.86Å; R99-R102 WeakPolarHBondContact O-CB 3.31Å; R99-R102 PolarHBondContact O-N 3.24Å
100S67Low66.8Low85 Ų8577 Ų7759%0.59442%0.421SS*.Hα-helixtrans-68.8-36.8176.3-52.20000112.7S96 A97 L98 R102 F103S96-S100 PolarHBondContact O-N 2.81Å; A97-S100 WeakPolarHBondContact O-CB 3.46Å; A97-S100 PolarHBondContact O-N 3.14Å; A97-S100 VanDerWaalsContact O-N 3.15Å; L98-S100 VanDerWaalsContact C-N 3.33Å; L98-S100 PolarHBondContact O-N 3.5Å; S100-R102 VanDerWaalsContact C-N 3.26Å; S100-R102 PolarHBondContact O-N 3.31Å; S100-F103 VanDerWaalsContact O-CB 3.24Å; S100-F103 WeakPolarHBondContact O-CB 3.3Å; S100-F103 PolarHBondContact O-N 2.89Å; S100-F103 VanDerWaalsContact O-N 3.09Å
101L67.8Low67.5Low61 Ų6175.8 Ų75.832%0.31940%0.396SS..Hα-helixtrans-70.1-18.8178.2-65.2168.2000113.1V83 A97 L98 F103 L104V83-L101 HydrophobicContact CG2-CB 3.46Å; V83-L101 VanDerWaalsContact CG2-CB 3.46Å; V83-L101 HydrophobicContact CG2-CD1 3.69Å; V83-L101 HydrophobicContact CG2-CG 4.13Å; A97-L101 VanDerWaalsContact O-CG 3.31Å; A97-L101 WeakPolarHBondContact O-CG 3.46Å; A97-L101 PolarHBondContact O-N 2.94Å; L98-L101 PolarHBondContact O-N 2.65Å; L101-F103 PolarHBondContact O-N 3.35Å; L101-L104 HydrophobicContact CD2-CD1 3.51Å; L101-L104 HydrophobicContact CD2-CG 4.47Å; L101-L104 WeakPolarHBondContact O-CB 3.29Å; L101-L104 PolarHBondContact O-N 3.44Å
102R67.9Low68Low67 Ų6774.4 Ų74.425%0.25339%0.387SS..G310 helixtrans-58-31.4167.1-66.6178.2-174-174.92.1112S14 L98 R99 S100 L104 Q105S14-R102 PolarHBondContact OG-NH1 3.43Å; L98-R102 PolarHBondContact O-N 2.88Å; L98-R102 VanDerWaalsContact O-N 3.12Å; R99-R102 WeakPolarHBondContact O-CB 3.31Å; R99-R102 PolarHBondContact O-N 3.24Å; S100-R102 VanDerWaalsContact C-N 3.26Å; S100-R102 PolarHBondContact O-N 3.31Å; R102-L104 VanDerWaalsContact C-N 3.25Å; R102-L104 PolarHBondContact O-N 3.1Å; R102-Q105 WeakPolarHBondContact O-CB 3.5Å; R102-Q105 WeakPolarHBondContact O-CG 3.38Å; R102-Q105 PolarHBondContact O-N 3.22Å
103F68.4Low68.7Low150 Ų15070.4 Ų70.466%0.65836%0.362SS*.G310 helixtrans-62-32.7175-172.7-102000112.5S100 L101 Q105 I106S100-F103 VanDerWaalsContact O-CB 3.24Å; S100-F103 WeakPolarHBondContact O-CB 3.3Å; S100-F103 PolarHBondContact O-N 2.89Å; S100-F103 VanDerWaalsContact O-N 3.09Å; L101-F103 PolarHBondContact O-N 3.35Å; F103-Q105 PolarHBondContact O-N 3.48Å; F103-Q105 VanDerWaalsContact O-N 3.13Å; F103-I106 HydrophobicContact CD2-CD1 3.67Å; F103-I106 HydrophobicContact CE2-CD1 3.62Å; F103-I106 HydrophobicContact CG-CD1 4.36Å; F103-I106 HydrophobicContact CZ-CD1 4.27Å; F103-I106 WeakPolarHBondContact O-CB 3.45Å; F103-I106 PolarHBondContact O-N 2.89Å; F103-I106 VanDerWaalsContact O-N 3.1Å
104L67.7Low69.4Low63 Ų6369.1 Ų69.133%0.3335%0.352SS..G310 helixtrans-67-11.7175.1-59178.8000112.9T79 L101 R102 I106 L107T79-L104 HydrophobicContact CG2-CB 4.21Å; T79-L104 HydrophobicContact CG2-CD1 3.57Å; L101-L104 HydrophobicContact CD2-CD1 3.51Å; L101-L104 HydrophobicContact CD2-CG 4.47Å; L101-L104 WeakPolarHBondContact O-CB 3.29Å; L101-L104 PolarHBondContact O-N 3.44Å; R102-L104 VanDerWaalsContact C-N 3.25Å; R102-L104 PolarHBondContact O-N 3.1Å; L104-I106 PolarHBondContact O-N 3.24Å; L104-L107 HydrophobicContact CB-CD1 4.31Å; L104-L107 HydrophobicContact CD2-CD1 3.87Å; L104-L107 VanDerWaalsContact O-CB 3.24Å; L104-L107 WeakPolarHBondContact O-CB 3.35Å; L104-L107 PolarHBondContact O-N 2.88Å; L104-L107 VanDerWaalsContact O-N 3.09Å
105Q69.4Low70.1Confident14 Ų1477.7 Ų77.77%0.06538%0.38CS..G310 helixtrans-66-23.9171.6-57.8177.111.300112.2E31 R102 F103 L107 R108E31-Q105 PolarHBondContact OE1-NE2 3.34Å; E31-Q105 PolarHBondContact OE2-NE2 2.91Å; R102-Q105 WeakPolarHBondContact O-CB 3.5Å; R102-Q105 WeakPolarHBondContact O-CG 3.38Å; R102-Q105 PolarHBondContact O-N 3.22Å; F103-Q105 PolarHBondContact O-N 3.48Å; F103-Q105 VanDerWaalsContact O-N 3.13Å; Q105-L107 PolarHBondContact O-N 2.97Å; Q105-R108 WeakPolarHBondContact O-CA 3.13Å; Q105-R108 WeakPolarHBondContact O-CB 3.13Å; Q105-R108 WeakPolarHBondContact O-CG 3.36Å; Q105-R108 PolarHBondContact O-N 3.17Å
106I77.1Confident71Confident79 Ų7973.9 Ų73.941%0.40536%0.357SS..G310 helixtrans-61.2-30.2172.5-63.4165.1000110.6L8 F103 L104 R108 M109L8-I106 HydrophobicContact CD1-CG1 4.46Å; F103-I106 HydrophobicContact CD2-CD1 3.67Å; F103-I106 HydrophobicContact CE2-CD1 3.62Å; F103-I106 HydrophobicContact CG-CD1 4.36Å; F103-I106 HydrophobicContact CZ-CD1 4.27Å; F103-I106 WeakPolarHBondContact O-CB 3.45Å; F103-I106 PolarHBondContact O-N 2.89Å; F103-I106 VanDerWaalsContact O-N 3.1Å; L104-I106 PolarHBondContact O-N 3.24Å; I106-R108 PolarHBondContact O-N 2.89Å; I106-M109 VanDerWaalsContact O-CB 3.26Å; I106-M109 WeakPolarHBondContact O-CB 3.2Å; I106-M109 PolarHBondContact O-N 3.37Å
107L74.1Confident71.9Confident76 Ų7672.2 Ų72.240%0.39835%0.352SS..Hα-helixtrans-63.3-24.4172.7-56.3175.7000112.7V76 L104 Q105 M109 V110V76-L107 HydrophobicContact CG2-CB 3.83Å; L104-L107 HydrophobicContact CB-CD1 4.31Å; L104-L107 HydrophobicContact CD2-CD1 3.87Å; L104-L107 VanDerWaalsContact O-CB 3.24Å; L104-L107 WeakPolarHBondContact O-CB 3.35Å; L104-L107 PolarHBondContact O-N 2.88Å; L104-L107 VanDerWaalsContact O-N 3.09Å; Q105-L107 PolarHBondContact O-N 2.97Å; L107-M109 PolarHBondContact O-N 3.35Å; L107-V110 WeakPolarHBondContact O-CB 3.42Å; L107-V110 PolarHBondContact O-N 2.87Å; L107-V110 VanDerWaalsContact O-N 3.17Å
108R75.4Confident73.1Confident5 Ų574.5 Ų74.52%0.01936%0.361CS..Hα-helixtrans-63-26171.5-59.7169.6175.9168.24.5111.5V4 C7 E31 V76 S80 Q105 I106 R111V4-R108 HydrophobicContact CG1-CB 3.91Å; C7-R108 PolarHBondContact SG-NH1 3.11Å; C7-R108 VanDerWaalsContact SG-NH1 3.44Å; E31-R108 IonicContact OE2-NH1 3.3Å; E31-R108 IonicContact OE2-NH2 3.78Å; E31-R108 PolarHBondContact OE2-NH2 3.34Å; V76-R108 HydrophobicContact CG1-CB 4.36Å; V76-R108 HydrophobicContact CG1-CG 3.43Å; V76-R108 VanDerWaalsContact CG1-CG 3.43Å; S80-R108 PolarHBondContact OG-NE 3.09Å; S80-R108 PolarHBondContact OG-NH2 3.38Å; Q105-R108 WeakPolarHBondContact O-CA 3.13Å; Q105-R108 WeakPolarHBondContact O-CB 3.13Å; Q105-R108 WeakPolarHBondContact O-CG 3.36Å; Q105-R108 PolarHBondContact O-N 3.17Å; I106-R108 PolarHBondContact O-N 2.89Å; R108-R111 VanDerWaalsContact O-CG 3.3Å; R108-R111 WeakPolarHBondContact O-CG 3.17Å
109M79.4Confident74.2Confident94 Ų9481 Ų8146%0.46338%0.384SS..Hα-helixtrans-75.1-34.4175.2-160.3-170.9-168.500111.9I106 L107 R111 M112I106-M109 VanDerWaalsContact O-CB 3.26Å; I106-M109 WeakPolarHBondContact O-CB 3.2Å; I106-M109 PolarHBondContact O-N 3.37Å; L107-M109 PolarHBondContact O-N 3.35Å; M109-R111 PolarHBondContact O-N 3.48Å; M109-M112 HydrophobicContact CG-CE 4.5Å; M109-M112 WeakPolarHBondContact O-CB 3.38Å; M109-M112 PolarHBondContact O-N 3.36Å
110V77Confident75.2Confident62 Ų6280.1 Ų80.138%0.37638%0.384SS..Hα-helixtrans-59.6-34.4177.9-178.50000111.6L107 M112L107-V110 WeakPolarHBondContact O-CB 3.42Å; L107-V110 PolarHBondContact O-N 2.87Å; L107-V110 VanDerWaalsContact O-N 3.17Å; V110-M112 PolarHBondContact O-N 3.35Å; V110-M112 VanDerWaalsContact O-N 3.15Å
111R74.1Confident76.2Confident38 Ų3879 Ų7914%0.14337%0.371CS..THydrogen-bonded Turntrans-67.3-10.5177.899.2-160.8-17190.717.4114.1F38 E41 D73 R108 M109 D113 R114F38-R111 VanDerWaalsContact CE2-NH2 3.35Å; F38-R111 VanDerWaalsContact CG-NH2 3.3Å; E41-R111 IonicContact OE2-NH1 2.63Å; D73-R111 WeakPolarHBondContact OD1-CD 3.38Å; D73-R111 IonicContact OD1-CZ 3.95Å; D73-R111 IonicContact OD1-NE 2.84Å; D73-R111 IonicContact OD1-NH1 3.2Å; D73-R111 PolarHBondContact OD1-NH1 2.98Å; D73-R111 IonicContact OD2-NH1 3.67Å; D73-R111 PolarHBondContact OD2-NH1 2.94Å; R108-R111 VanDerWaalsContact O-CG 3.3Å; R108-R111 WeakPolarHBondContact O-CG 3.17Å; M109-R111 PolarHBondContact O-N 3.48Å; R111-D113 VanDerWaalsContact C-N 3.29Å; R111-D113 PolarHBondContact O-N 2.9Å; R111-R114 PolarHBondContact O-N 3.32Å
112M74.1Confident77.2Confident72 Ų7278.8 Ų78.836%0.35537%0.37SS..THydrogen-bonded Turntrans-62.7-33.8179.7-153.685.671.300112F1 V4 M109 V110 R114F1-M112 VanDerWaalsContact CA-SD 3.55Å; F1-M112 HydrophobicContact CB-CE 4.3Å; F1-M112 HydrophobicContact CB-SD 3.88Å; F1-M112 HydrophobicContact CD2-CE 3.39Å; F1-M112 HydrophobicContact CD2-CG 4.02Å; F1-M112 HydrophobicContact CD2-SD 3.54Å; F1-M112 VanDerWaalsContact CD2-SD 3.54Å; F1-M112 HydrophobicContact CE2-CE 3.87Å; F1-M112 HydrophobicContact CE2-SD 4.47Å; F1-M112 HydrophobicContact CG-CE 4.05Å; F1-M112 HydrophobicContact CG-SD 4.12Å; V4-M112 HydrophobicContact CB-CE 4.17Å; V4-M112 HydrophobicContact CG1-CE 4.38Å; V4-M112 HydrophobicContact CG2-CE 4.44Å; M109-M112 HydrophobicContact CG-CE 4.5Å; M109-M112 WeakPolarHBondContact O-CB 3.38Å; M109-M112 PolarHBondContact O-N 3.36Å; V110-M112 PolarHBondContact O-N 3.35Å; V110-M112 VanDerWaalsContact O-N 3.15Å; M112-R114 PolarHBondContact O-N 3.07Å
113D74.1Confident78.4Confident30 Ų3077.5 Ų77.516%0.1638%0.377CS..  trans-79.667.2168.8-171.81.9000111.4F69 R111 R115 G116 G117 T118F69-D113 WeakPolarHBondContact CE1-O 3.27Å; R111-D113 VanDerWaalsContact C-N 3.29Å; R111-D113 PolarHBondContact O-N 2.9Å; D113-R115 PolarHBondContact O-N 2.84Å; D113-R115 PolarHBondContact OD1-N 2.85Å; D113-G116 PolarHBondContact O-N 2.69Å; D113-G116 WeakPolarHBondContact OD1-CA 3.42Å; D113-G116 PolarHBondContact OD1-N 2.71Å; D113-G116 VanDerWaalsContact OD2-C 3.27Å; D113-G116 VanDerWaalsContact OD2-CA 3.27Å; D113-G116 WeakPolarHBondContact OD2-CA 3.43Å; D113-G117 PolarHBondContact OD1-N 2.92Å; D113-G117 PolarHBondContact OD2-N 3.15Å; D113-G117 VanDerWaalsContact OD2-N 3.14Å; D113-T118 WeakPolarHBondContact OD2-CB 3.36Å; D113-T118 PolarHBondContact OD2-N 3.39Å; D113-T118 VanDerWaalsContact OD2-N 3.13Å
114R70Confident79.4Confident156 Ų15673.3 Ų73.359%0.58937%0.367SS*.THydrogen-bonded Turntrans-57.1-17.4-179.5-173.2168.366.4158.7-0.5114.2E41 R111 M112E41-R114 IonicContact OE1-NH1 2.72Å; R111-R114 PolarHBondContact O-N 3.32Å; M112-R114 PolarHBondContact O-N 3.07Å
115R71.3Confident80.6Confident200 Ų20070.4 Ų70.476%0.75535%0.351SS*.THydrogen-bonded Turntrans-104.6-10.7-178.7-64.6-178.2-178.2171.83112.7D113 G117 K120D113-R115 PolarHBondContact O-N 2.84Å; D113-R115 PolarHBondContact OD1-N 2.85Å; R115-G117 PolarHBondContact O-N 3.38Å; R115-K120 PolarHBondContact O-NZ 2.72Å
116G79.9Confident81.8Confident2 Ų272.4 Ų72.42%0.02136%0.364CS..  trans54.831.3-164.800000111.7D113 K120D113-G116 PolarHBondContact O-N 2.69Å; D113-G116 WeakPolarHBondContact OD1-CA 3.42Å; D113-G116 PolarHBondContact OD1-N 2.71Å; D113-G116 VanDerWaalsContact OD2-C 3.27Å; D113-G116 VanDerWaalsContact OD2-CA 3.27Å; D113-G116 WeakPolarHBondContact OD2-CA 3.43Å; G116-K120 WeakPolarHBondContact O-CB 3.49Å; G116-K120 VanDerWaalsContact O-CD 3.23Å; G116-K120 WeakPolarHBondContact O-CD 3.48Å; G116-K120 WeakPolarHBondContact O-CG 3.41Å; G116-K120 PolarHBondContact O-N 3.36Å
117G83.6Confident82.7Confident36 Ų3677.4 Ų77.437%0.37138%0.38SS..Hα-helixtrans-70.6-46.7-172.600000110.6D113 R115 K120 L121D113-G117 PolarHBondContact OD1-N 2.92Å; D113-G117 PolarHBondContact OD2-N 3.15Å; D113-G117 VanDerWaalsContact OD2-N 3.14Å; R115-G117 PolarHBondContact O-N 3.38Å; G117-K120 PolarHBondContact O-N 2.93Å; G117-L121 WeakPolarHBondContact O-CB 3.38Å; G117-L121 PolarHBondContact O-N 3.01Å
118T85.4Confident83.5Confident97 Ų9777.1 Ų77.160%0.59539%0.388SS*.Hα-helixtrans-64.2-47.8177.6-49.10000110.2D113 K120 L121 L122D113-T118 WeakPolarHBondContact OD2-CB 3.36Å; D113-T118 PolarHBondContact OD2-N 3.39Å; D113-T118 VanDerWaalsContact OD2-N 3.13Å; T118-K120 PolarHBondContact O-N 3.49Å; T118-L121 PolarHBondContact O-N 3.24Å; T118-L121 VanDerWaalsContact O-N 3.14Å; T118-L122 VanDerWaalsContact O-CB 3.29Å; T118-L122 WeakPolarHBondContact O-CB 3.49Å; T118-L122 PolarHBondContact O-N 3.17Å
119W87.4Confident84.5Confident157 Ų15778.7 Ų78.760%0.59540%0.396SS*.Hα-helixtrans-61.1-39177.3-65.9103.6000113.6L122 G123W119-L122 HydrophobicContact CE3-CD2 4.37Å; W119-L122 HydrophobicContact CZ3-CD2 4.41Å; W119-G123 PolarHBondContact O-N 2.94Å
120K88.4Confident85.2Confident139 Ų13976.4 Ų76.460%0.60439%0.389SS*.Hα-helixtrans-68.9-39.3173.4-73.7163.2-167.4152.70112.2R115 G116 G117 T118 S124R115-K120 PolarHBondContact O-NZ 2.72Å; G116-K120 WeakPolarHBondContact O-CB 3.49Å; G116-K120 VanDerWaalsContact O-CD 3.23Å; G116-K120 WeakPolarHBondContact O-CD 3.48Å; G116-K120 WeakPolarHBondContact O-CG 3.41Å; G116-K120 PolarHBondContact O-N 3.36Å; G117-K120 PolarHBondContact O-N 2.93Å; T118-K120 PolarHBondContact O-N 3.49Å; K120-S124 WeakPolarHBondContact O-CB 3.4Å; K120-S124 PolarHBondContact O-N 3.22Å
121L87.6Confident86.1Confident62 Ų6281.8 Ų81.833%0.32541%0.407SS..Hα-helixtrans-63.9-54.7179-175.770.3000110.1G117 T118 S124 V125 F217 K220G117-L121 WeakPolarHBondContact O-CB 3.38Å; G117-L121 PolarHBondContact O-N 3.01Å; T118-L121 PolarHBondContact O-N 3.24Å; T118-L121 VanDerWaalsContact O-N 3.14Å; L121-S124 PolarHBondContact O-N 3.48Å; L121-V125 WeakPolarHBondContact O-CG2 3.23Å; L121-V125 PolarHBondContact O-N 3.36Å; L121-F217 HydrophobicContact CD2-CD1 4.21Å; L121-F217 HydrophobicContact CD2-CE1 4.03Å; L121-F217 HydrophobicContact CG-CD1 4.34Å; L121-F217 HydrophobicContact CG-CE1 3.99Å; L121-K220 HydrophobicContact CD1-CD 3.72Å; L121-K220 HydrophobicContact CD1-CG 4.29Å; L121-K220 PolarHBondContact O-NZ 2.97Å; L121-K220 VanDerWaalsContact O-NZ 3.15Å
122L89.9Confident87.1Confident56 Ų5684.6 Ų84.629%0.29342%0.422SS..Hα-helixtrans-55.7-57.6176.1174.164.9000110.9T118 W119 S124 V125 V126 F217T118-L122 VanDerWaalsContact O-CB 3.29Å; T118-L122 WeakPolarHBondContact O-CB 3.49Å; T118-L122 PolarHBondContact O-N 3.17Å; W119-L122 HydrophobicContact CE3-CD2 4.37Å; W119-L122 HydrophobicContact CZ3-CD2 4.41Å; L122-S124 PolarHBondContact O-N 2.85Å; L122-S124 VanDerWaalsContact O-N 3.15Å; L122-V125 PolarHBondContact O-N 3.05Å; L122-V126 HydrophobicContact CD1-CG2 3.93Å; L122-V126 HydrophobicContact CG-CG2 4.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.36Å; L122-V126 PolarHBondContact O-N 3.4Å; L122-F217 HydrophobicContact CB-CZ 4.29Å; L122-F217 HydrophobicContact CD1-CE2 4.29Å; L122-F217 HydrophobicContact CD1-CZ 3.77Å
123G92.5Very high88.1Confident39 Ų3982.2 Ų82.240%0.40241%0.411SS..Hα-helixtrans-58-32.3179.900000113.1W119 Y127W119-G123 PolarHBondContact O-N 2.94Å; G123-Y127 WeakPolarHBondContact O-CB 3.34Å; G123-Y127 PolarHBondContact O-N 2.94Å
124S89.4Confident89.1Confident62 Ų6285.6 Ų85.643%0.43443%0.432SS..Hα-helixtrans-80-21.2174.9169.70000114.1K120 L121 L122 A128 K220K120-S124 WeakPolarHBondContact O-CB 3.4Å; K120-S124 PolarHBondContact O-N 3.22Å; L121-S124 PolarHBondContact O-N 3.48Å; L122-S124 PolarHBondContact O-N 2.85Å; L122-S124 VanDerWaalsContact O-N 3.15Å; S124-A128 WeakPolarHBondContact O-CB 3.46Å; S124-A128 PolarHBondContact O-N 3.02Å; S124-K220 VanDerWaalsContact C-NZ 3.33Å; S124-K220 PolarHBondContact OG-NZ 2.95Å
125V93.1Very high90.4Very high2 Ų282 Ų821%0.01243%0.427CS..Hα-helixtrans-77.1-50.8167.7174.80000109.4L121 L122 Y127 A128 H129 L213 F217 K220L121-V125 WeakPolarHBondContact O-CG2 3.23Å; L121-V125 PolarHBondContact O-N 3.36Å; L122-V125 PolarHBondContact O-N 3.05Å; V125-Y127 VanDerWaalsContact C-N 3.27Å; V125-Y127 PolarHBondContact O-N 2.98Å; V125-A128 WeakPolarHBondContact O-CB 3.19Å; V125-A128 PolarHBondContact O-N 3.38Å; V125-H129 PolarHBondContact O-CD2 3Å; V125-H129 PolarHBondContact O-N 2.67Å; V125-L213 HydrophobicContact CG1-CD2 4Å; V125-F217 HydrophobicContact CB-CE1 4.49Å; V125-F217 HydrophobicContact CG2-CD1 3.87Å; V125-F217 HydrophobicContact CG2-CE1 3.91Å; V125-F217 HydrophobicContact CG2-CG 4.46Å; V125-K220 HydrophobicContact CG2-CD 3.5Å
126V94.9Very high91.5Very high56 Ų5672.7 Ų72.734%0.33939%0.393SS..Hα-helixtrans-53.9-43.3175.8173.40000111.3L122 H129 S130 L133 L213L122-V126 HydrophobicContact CD1-CG2 3.93Å; L122-V126 HydrophobicContact CG-CG2 4.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.36Å; L122-V126 PolarHBondContact O-N 3.4Å; V126-H129 CarbonylContact O-C 3.59Å; V126-S130 WeakPolarHBondContact O-CA 3.4Å; V126-S130 VanDerWaalsContact O-CB 3.31Å; V126-S130 WeakPolarHBondContact O-CB 3.26Å; V126-S130 PolarHBondContact O-N 3.5Å; V126-L133 HydrophobicContact CB-CD1 4.4Å; V126-L133 HydrophobicContact CG1-CD1 4.11Å; V126-L133 HydrophobicContact CG2-CD1 4.5Å; V126-L213 HydrophobicContact CG2-CD2 3.77Å
127Y94.8Very high92.3Very high185 Ų18581.9 Ų81.973%0.72543%0.427SS*.Hα-helixtrans-66.9-39.4177.5-176.1-97.5000112.8G123 V125 S130G123-Y127 WeakPolarHBondContact O-CB 3.34Å; G123-Y127 PolarHBondContact O-N 2.94Å; V125-Y127 VanDerWaalsContact C-N 3.27Å; V125-Y127 PolarHBondContact O-N 2.98Å; Y127-S130 VanDerWaalsContact O-CB 3.31Å; Y127-S130 WeakPolarHBondContact O-CB 3.36Å; Y127-S130 PolarHBondContact O-N 3.23Å; Y127-S130 PolarHBondContact O-OG 3.44Å
128A92.1Very high93Very high69 Ų6987.7 Ų87.757%0.5744%0.44SS*.Hα-helixtrans-64.1-45.3178.300000111.6S124 V125 S130S124-A128 WeakPolarHBondContact O-CB 3.46Å; S124-A128 PolarHBondContact O-N 3.02Å; V125-A128 WeakPolarHBondContact O-CB 3.19Å; V125-A128 PolarHBondContact O-N 3.38Å; A128-S130 VanDerWaalsContact C-N 3.33Å
129H94.9Very high93.5Very high39 Ų3986.1 Ų86.118%0.18143%0.427CS..THydrogen-bonded Turntrans-95.321.1179.3-61.8-82.5000113.1V125 V126 K131 E132 L133 I212V125-H129 PolarHBondContact O-CD2 3Å; V125-H129 PolarHBondContact O-N 2.67Å; V126-H129 CarbonylContact O-C 3.59Å; H129-K131 VanDerWaalsContact C-N 3.3Å; H129-K131 PolarHBondContact O-N 3.4Å; H129-E132 IonicContact CE1-OE2 2.85Å; H129-E132 IonicContact CG-OE2 3.7Å; H129-E132 IonicContact ND1-OE1 3.63Å; H129-E132 IonicContact ND1-OE2 3.54Å; H129-E132 PolarHBondContact ND1-OE2 2.97Å; H129-E132 PolarHBondContact O-N 3Å; H129-L133 HydrophobicContact CB-CD1 4.48Å; H129-L133 WeakPolarHBondContact O-CG 3.4Å; H129-L133 PolarHBondContact O-N 3.46Å; H129-I212 HydrophobicContact CB-CG2 3.6Å
130S94.7Very high93.9Very high46 Ų4678.8 Ų78.832%0.32240%0.399SS..Hα-helixtrans-61.6-36.2-171.349.20000113.2V126 Y127 A128 V134V126-S130 WeakPolarHBondContact O-CA 3.4Å; V126-S130 VanDerWaalsContact O-CB 3.31Å; V126-S130 WeakPolarHBondContact O-CB 3.26Å; V126-S130 PolarHBondContact O-N 3.5Å; Y127-S130 VanDerWaalsContact O-CB 3.31Å; Y127-S130 WeakPolarHBondContact O-CB 3.36Å; Y127-S130 PolarHBondContact O-N 3.23Å; Y127-S130 PolarHBondContact O-OG 3.44Å; A128-S130 VanDerWaalsContact C-N 3.33Å; S130-V134 WeakPolarHBondContact O-CB 3.46Å; S130-V134 WeakPolarHBondContact O-CG2 3.41Å; S130-V134 PolarHBondContact O-N 2.92Å
131K95.3Very high94.3Very high175 Ų17578.1 Ų78.176%0.76140%0.397SS*.Hα-helixtrans-65.6-48.9176.3-65.9-177179.4-179.40111.6H129 V134 T135H129-K131 VanDerWaalsContact C-N 3.3Å; H129-K131 PolarHBondContact O-N 3.4Å; K131-V134 PolarHBondContact O-N 2.94Å; K131-T135 WeakPolarHBondContact O-CG2 3.12Å; K131-T135 PolarHBondContact O-N 3.09Å; K131-T135 PolarHBondContact O-OG1 3Å; K131-T135 VanDerWaalsContact O-OG1 3.08Å
132E95.3Very high94.8Very high96 Ų9678.5 Ų78.545%0.44940%0.399SS..Hα-helixtrans-61.4-45.8-179.1-65.9157.1-160.900110.8H129 T135 A136 I212H129-E132 IonicContact CE1-OE2 2.85Å; H129-E132 IonicContact CG-OE2 3.7Å; H129-E132 IonicContact ND1-OE1 3.63Å; H129-E132 IonicContact ND1-OE2 3.54Å; H129-E132 PolarHBondContact ND1-OE2 2.97Å; H129-E132 PolarHBondContact O-N 3Å; E132-T135 WeakPolarHBondContact CA-OG1 3.37Å; E132-T135 PolarHBondContact O-N 3.29Å; E132-T135 PolarHBondContact O-OG1 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.44Å; E132-A136 PolarHBondContact O-N 3.38Å; E132-I212 HydrophobicContact CB-CD1 4.11Å; E132-I212 HydrophobicContact CB-CG2 4.42Å
133L95.2Very high95.1Very high23 Ų2376.7 Ų76.712%0.1239%0.39CS..Hα-helixtrans-61.2-47.4175.4-72.9168.8000112.4V126 H129 T135 A136 W137 P209 I212 L213V126-L133 HydrophobicContact CB-CD1 4.4Å; V126-L133 HydrophobicContact CG1-CD1 4.11Å; V126-L133 HydrophobicContact CG2-CD1 4.5Å; H129-L133 HydrophobicContact CB-CD1 4.48Å; H129-L133 WeakPolarHBondContact O-CG 3.4Å; H129-L133 PolarHBondContact O-N 3.46Å; L133-T135 VanDerWaalsContact C-N 3.34Å; L133-T135 PolarHBondContact O-N 3.33Å; L133-A136 PolarHBondContact O-N 3.43Å; L133-W137 WeakPolarHBondContact O-CB 3.34Å; L133-W137 PolarHBondContact O-N 3.45Å; L133-P209 HydrophobicContact CD2-CB 3.84Å; L133-I212 HydrophobicContact CD2-CB 4.36Å; L133-I212 HydrophobicContact CD2-CG2 4.22Å; L133-I212 HydrophobicContact CG-CG2 4.2Å; L133-L213 HydrophobicContact CD1-CD2 4.03Å; L133-L213 HydrophobicContact CD2-CG 4.34Å
134V96.3Very high95.4Very high100 Ų10075.3 Ų75.361%0.60637%0.373SS*.Hα-helixtrans-63.4-39.5177.8168.30000111.2S130 K131 Y138S130-V134 WeakPolarHBondContact O-CB 3.46Å; S130-V134 WeakPolarHBondContact O-CG2 3.41Å; S130-V134 PolarHBondContact O-N 2.92Å; K131-V134 PolarHBondContact O-N 2.94Å; V134-Y138 VanDerWaalsContact O-CB 3.23Å; V134-Y138 WeakPolarHBondContact O-CB 3.46Å; V134-Y138 PolarHBondContact O-N 3.46Å
135T96Very high95.7Very high81 Ų8175 Ų7550%0.49737%0.366SS..Hα-helixtrans-66.3-41175.649.40000112.9K131 E132 L133 Y138 I139K131-T135 WeakPolarHBondContact O-CG2 3.12Å; K131-T135 PolarHBondContact O-N 3.09Å; K131-T135 PolarHBondContact O-OG1 3Å; K131-T135 VanDerWaalsContact O-OG1 3.08Å; E132-T135 WeakPolarHBondContact CA-OG1 3.37Å; E132-T135 PolarHBondContact O-N 3.29Å; E132-T135 PolarHBondContact O-OG1 3.25Å; L133-T135 VanDerWaalsContact C-N 3.34Å; L133-T135 PolarHBondContact O-N 3.33Å; T135-Y138 PolarHBondContact O-N 2.9Å; T135-I139 VanDerWaalsContact O-CG1 3.32Å; T135-I139 WeakPolarHBondContact O-CG1 3.31Å; T135-I139 PolarHBondContact O-N 3.34Å
136A95.9Very high95.9Very high5 Ų580.4 Ų80.44%0.04139%0.39CS..Hα-helixtrans-64.9-45.117700000111.6E132 L133 G140 L208 P209E132-A136 WeakPolarHBondContact O-CB 3.44Å; E132-A136 PolarHBondContact O-N 3.38Å; L133-A136 PolarHBondContact O-N 3.43Å; A136-G140 PolarHBondContact O-N 2.79Å; A136-L208 HydrophobicContact CB-CB 4.06Å; A136-L208 HydrophobicContact CB-CD1 4.33Å; A136-P209 HydrophobicContact CB-CG 4.39Å
137W95.9Very high96Very high194 Ų19477.8 Ų77.874%0.73537%0.374SS*.Hα-helixtrans-62.4-43.8175.1-105.847.6000112.7L133 F141L133-W137 WeakPolarHBondContact O-CB 3.34Å; L133-W137 PolarHBondContact O-N 3.45Å; W137-F141 VanDerWaalsContact O-CB 3.24Å; W137-F141 WeakPolarHBondContact O-CB 3.38Å; W137-F141 PolarHBondContact O-N 2.93Å
138Y97.3Very high96.1Very high159 Ų15969 Ų6962%0.62434%0.339SS*.Hα-helixtrans-61.8-48.1179.1175.2-98.5000111.9V134 T135 L142V134-Y138 VanDerWaalsContact O-CB 3.23Å; V134-Y138 WeakPolarHBondContact O-CB 3.46Å; V134-Y138 PolarHBondContact O-N 3.46Å; T135-Y138 PolarHBondContact O-N 2.9Å; Y138-L142 HydrophobicContact CE1-CD1 4.32Å; Y138-L142 WeakPolarHBondContact O-CB 3.19Å; Y138-L142 PolarHBondContact O-N 3.39Å
139I96.8Very high96.4Very high64 Ų6470.1 Ų70.133%0.32833%0.332SS..Hα-helixtrans-68.6-43.3179.6-61.2166.7000110.6T135 F141 L142 V143 F205T135-I139 VanDerWaalsContact O-CG1 3.32Å; T135-I139 WeakPolarHBondContact O-CG1 3.31Å; T135-I139 PolarHBondContact O-N 3.34Å; I139-F141 PolarHBondContact O-N 3.12Å; I139-L142 PolarHBondContact O-N 2.88Å; I139-V143 HydrophobicContact CG2-CG2 4.43Å; I139-V143 WeakPolarHBondContact O-CG2 3.4Å; I139-V143 PolarHBondContact O-N 3.44Å; I139-F205 HydrophobicContact CB-CD1 4.03Å; I139-F205 HydrophobicContact CB-CE1 4.07Å; I139-F205 HydrophobicContact CB-CG 4.46Å; I139-F205 HydrophobicContact CD1-CE1 4.02Å; I139-F205 HydrophobicContact CG2-CD1 3.78Å; I139-F205 HydrophobicContact CG2-CD2 3.9Å; I139-F205 HydrophobicContact CG2-CE1 3.59Å; I139-F205 HydrophobicContact CG2-CE2 3.72Å; I139-F205 HydrophobicContact CG2-CG 3.95Å; I139-F205 HydrophobicContact CG2-CZ 3.58Å
140G96.4Very high96.4Very high2 Ų271.1 Ų71.12%0.02134%0.338CS..Hα-helixtrans-59.6-44.9176.400000112.7A136 V143 L144 F206A136-G140 PolarHBondContact O-N 2.79Å; G140-V143 PolarHBondContact O-N 3.29Å; G140-L144 WeakPolarHBondContact O-CB 3.29Å; G140-L144 PolarHBondContact O-N 3.47Å; G140-F206 WeakPolarHBondContact O-CE2 3.49Å
141F96.9Very high96.5Very high126 Ų12669 Ų6955%0.55332%0.323SS*.Hα-helixtrans-66.3-38176.8-170.1-98.9000112.4W137 I139 L144 I145W137-F141 VanDerWaalsContact O-CB 3.24Å; W137-F141 WeakPolarHBondContact O-CB 3.38Å; W137-F141 PolarHBondContact O-N 2.93Å; I139-F141 PolarHBondContact O-N 3.12Å; F141-L144 HydrophobicContact CD2-CD2 4.3Å; F141-L144 WeakPolarHBondContact O-CB 3.25Å; F141-L144 PolarHBondContact O-N 3.22Å; F141-I145 HydrophobicContact CD1-CG1 4.09Å; F141-I145 HydrophobicContact CE1-CD1 4.13Å; F141-I145 HydrophobicContact CE1-CG1 3.71Å; F141-I145 HydrophobicContact CZ-CD1 3.93Å; F141-I145 HydrophobicContact CZ-CG1 3.97Å; F141-I145 WeakPolarHBondContact O-CG1 3.12Å; F141-I145 PolarHBondContact O-N 2.98Å
142L96.9Very high96.6Very high70 Ų7062.3 Ų62.337%0.36629%0.293SS..Hα-helixtrans-61.9-47.7173.6-171.9150.4000110.8Y138 I139 L144 I145 F146Y138-L142 HydrophobicContact CE1-CD1 4.32Å; Y138-L142 WeakPolarHBondContact O-CB 3.19Å; Y138-L142 PolarHBondContact O-N 3.39Å; I139-L142 PolarHBondContact O-N 2.88Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 3.34Å; L142-I145 PolarHBondContact O-N 3.3Å; L142-F146 HydrophobicContact CD2-CD2 3.55Å; L142-F146 HydrophobicContact CD2-CE2 3.77Å; L142-F146 HydrophobicContact CG-CD2 3.9Å; L142-F146 HydrophobicContact CG-CE2 3.93Å; L142-F146 WeakPolarHBondContact O-CD2 3.44Å; L142-F146 PolarHBondContact O-N 2.68Å
143V96.9Very high96.6Very high17 Ų1762.3 Ų62.310%0.10330%0.296CS..Hα-helixtrans-60.3-41.5175.6171.80000111.7I139 G140 S147 L176 F198I139-V143 HydrophobicContact CG2-CG2 4.43Å; I139-V143 WeakPolarHBondContact O-CG2 3.4Å; I139-V143 PolarHBondContact O-N 3.44Å; G140-V143 PolarHBondContact O-N 3.29Å; V143-S147 WeakPolarHBondContact O-CB 3.4Å; V143-S147 PolarHBondContact O-N 2.92Å; V143-L176 HydrophobicContact CG1-CD1 4.24Å; V143-F198 HydrophobicContact CG1-CD1 4.21Å
144L97.3Very high96.6Very high10 Ų1063.1 Ų63.15%0.05230%0.302CS..Hα-helixtrans-57.6-50.9175.517464.6000112G140 F141 L142 S148 L169 L176 F206G140-L144 WeakPolarHBondContact O-CB 3.29Å; G140-L144 PolarHBondContact O-N 3.47Å; F141-L144 HydrophobicContact CD2-CD2 4.3Å; F141-L144 WeakPolarHBondContact O-CB 3.25Å; F141-L144 PolarHBondContact O-N 3.22Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 3.34Å; L144-S148 VanDerWaalsContact O-CB 3.29Å; L144-S148 WeakPolarHBondContact O-CB 3.27Å; L144-S148 PolarHBondContact O-N 3.44Å; L144-S148 PolarHBondContact O-OG 3.01Å; L144-L169 HydrophobicContact CD2-CD1 4.48Å; L144-L169 HydrophobicContact CG-CD1 4.22Å; L144-L176 HydrophobicContact CB-CD1 3.96Å; L144-L176 HydrophobicContact CD1-CD1 4.07Å; L144-F206 HydrophobicContact CB-CE2 4.45Å; L144-F206 HydrophobicContact CB-CZ 4.46Å; L144-F206 HydrophobicContact CD2-CZ 4.33Å
145I97.8Very high96.6Very high55 Ų5558.3 Ų58.328%0.28227%0.273SS..Hα-helixtrans-64.2-46.6-178-67.4-67.5000111.1F141 L142 F149 Y165 L169F141-I145 HydrophobicContact CD1-CG1 4.09Å; F141-I145 HydrophobicContact CE1-CD1 4.13Å; F141-I145 HydrophobicContact CE1-CG1 3.71Å; F141-I145 HydrophobicContact CZ-CD1 3.93Å; F141-I145 HydrophobicContact CZ-CG1 3.97Å; F141-I145 WeakPolarHBondContact O-CG1 3.12Å; F141-I145 PolarHBondContact O-N 2.98Å; L142-I145 PolarHBondContact O-N 3.3Å; I145-F149 VanDerWaalsContact O-CB 3.3Å; I145-F149 WeakPolarHBondContact O-CB 3.24Å; I145-F149 PolarHBondContact O-N 3.26Å; I145-Y165 PolarHBondContact O-OH 3.47Å; I145-L169 HydrophobicContact CD1-CD1 3.81Å
146F97.1Very high96.4Very high116 Ų11659 Ų5951%0.50927%0.269SS..Hα-helixtrans-65.5-44.8178.4-88.6-79.6000112.7L142 F149 L150L142-F146 HydrophobicContact CD2-CD2 3.55Å; L142-F146 HydrophobicContact CD2-CE2 3.77Å; L142-F146 HydrophobicContact CG-CD2 3.9Å; L142-F146 HydrophobicContact CG-CE2 3.93Å; L142-F146 WeakPolarHBondContact O-CD2 3.44Å; L142-F146 PolarHBondContact O-N 2.68Å; F146-F149 PolarHBondContact O-N 2.89Å; F146-L150 WeakPolarHBondContact O-CG 3.25Å; F146-L150 PolarHBondContact O-N 2.68Å
147S96.5Very high96.2Very high1 Ų166.9 Ų66.91%0.00731%0.305CS..Hα-helixtrans-62-49178.3177.60000111.5V143 F149 L150 V151 F198V143-S147 WeakPolarHBondContact O-CB 3.4Å; V143-S147 PolarHBondContact O-N 2.92Å; S147-F149 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact O-N 2.79Å; S147-L150 PolarHBondContact O-N 3.15Å; S147-V151 WeakPolarHBondContact O-CB 3.46Å; S147-V151 WeakPolarHBondContact O-CG2 3.39Å; S147-V151 PolarHBondContact O-N 3.48Å; S147-F198 VanDerWaalsContact OG-CB 3.24Å; S147-F198 WeakPolarHBondContact OG-CB 3.5Å
148S97Very high95.8Very high0 Ų065 Ų650%030%0.302CS..Hα-helixtrans-61.6-38.4179.3-51.60000111.5L144 Y152 A168L144-S148 VanDerWaalsContact O-CB 3.29Å; L144-S148 WeakPolarHBondContact O-CB 3.27Å; L144-S148 PolarHBondContact O-N 3.44Å; L144-S148 PolarHBondContact O-OG 3.01Å; S148-Y152 WeakPolarHBondContact O-CB 3.25Å; S148-Y152 PolarHBondContact O-N 3.37Å; S148-A168 WeakPolarHBondContact O-CB 3.36Å; S148-A168 PolarHBondContact OG-O 3.24Å
149F97.2Very high95.4Very high93 Ų9358.1 Ų58.141%0.40828%0.276SS..Hα-helixtrans-70.7-44.1179.6-177-107.9000112.9I145 F146 S147 Y152 L153 Y165I145-F149 VanDerWaalsContact O-CB 3.3Å; I145-F149 WeakPolarHBondContact O-CB 3.24Å; I145-F149 PolarHBondContact O-N 3.26Å; F146-F149 PolarHBondContact O-N 2.89Å; S147-F149 VanDerWaalsContact C-N 3.29Å; S147-F149 PolarHBondContact O-N 2.79Å; F149-Y152 PolarHBondContact O-N 3.44Å; F149-L153 HydrophobicContact CD1-CD1 4.12Å; F149-L153 HydrophobicContact CE1-CD1 3.51Å; F149-L153 HydrophobicContact CE1-CG 4.2Å; F149-L153 HydrophobicContact CE2-CD1 4.45Å; F149-L153 HydrophobicContact CE2-CD2 4.43Å; F149-L153 HydrophobicContact CE2-CG 4.36Å; F149-L153 HydrophobicContact CZ-CD1 3.71Å; F149-L153 HydrophobicContact CZ-CD2 4.27Å; F149-L153 HydrophobicContact CZ-CG 4.09Å; F149-L153 WeakPolarHBondContact O-CG 3.44Å; F149-L153 PolarHBondContact O-N 3.4Å; F149-Y165 HydrophobicContact CB-CE2 3.86Å; F149-Y165 HydrophobicContact CD2-CD2 4.27Å; F149-Y165 HydrophobicContact CD2-CE2 4.11Å
150L96.5Very high95Very high61 Ų6164.8 Ų64.832%0.31930%0.302SS..Hα-helixtrans-68.6-38.7179.5-70.8171.8000112.2F146 S147 L153 V154 F198F146-L150 WeakPolarHBondContact O-CG 3.25Å; F146-L150 PolarHBondContact O-N 2.68Å; S147-L150 PolarHBondContact O-N 3.15Å; L150-L153 PolarHBondContact O-N 2.98Å; L150-V154 WeakPolarHBondContact O-CG2 3.24Å; L150-V154 PolarHBondContact O-N 2.9Å; L150-F198 HydrophobicContact CD1-CE2 3.6Å; L150-F198 HydrophobicContact CD1-CZ 3.63Å
151V95.9Very high94.7Very high0 Ų067.8 Ų67.80%032%0.316CS..Hα-helixtrans-69.6-39.3175.5175.90000111S147 V154 E155 F162 W171 P186 L194 S195S147-V151 WeakPolarHBondContact O-CB 3.46Å; S147-V151 WeakPolarHBondContact O-CG2 3.39Å; S147-V151 PolarHBondContact O-N 3.48Å; V151-V154 PolarHBondContact O-N 3.45Å; V151-E155 HydrophobicContact CG1-CG 3.93Å; V151-E155 WeakPolarHBondContact O-CB 3.23Å; V151-E155 WeakPolarHBondContact O-CG 3.26Å; V151-E155 PolarHBondContact O-N 3.16Å; V151-F162 HydrophobicContact CG1-CE1 4.22Å; V151-F162 HydrophobicContact CG1-CZ 4.42Å; V151-W171 HydrophobicContact CB-CE3 4.38Å; V151-W171 HydrophobicContact CB-CH2 4.27Å; V151-W171 HydrophobicContact CB-CZ3 3.8Å; V151-W171 HydrophobicContact CG1-CE3 4.14Å; V151-W171 HydrophobicContact CG1-CH2 4.14Å; V151-W171 HydrophobicContact CG1-CZ3 3.86Å; V151-W171 HydrophobicContact CG2-CH2 3.8Å; V151-W171 HydrophobicContact CG2-CZ3 3.74Å; V151-P186 HydrophobicContact CG1-CB 4.33Å; V151-L194 HydrophobicContact CG2-CB 4.35Å; V151-S195 WeakPolarHBondContact CG2-OG 3.37Å
152Y96.8Very high94.5Very high35 Ų3561.8 Ų61.814%0.13729%0.29CS..Hα-helixtrans-56-50.8171.1170.4-113.9000112.5S148 F149 V154 E155 K156 F162 Y165 A168S148-Y152 WeakPolarHBondContact O-CB 3.25Å; S148-Y152 PolarHBondContact O-N 3.37Å; F149-Y152 PolarHBondContact O-N 3.44Å; Y152-V154 PolarHBondContact O-N 2.88Å; Y152-E155 PolarHBondContact O-N 3.06Å; Y152-K156 HydrophobicContact CD2-CB 4.4Å; Y152-K156 HydrophobicContact CE2-CB 4.28Å; Y152-K156 HydrophobicContact CE2-CD 3.81Å; Y152-K156 HydrophobicContact CE2-CG 4.23Å; Y152-K156 WeakPolarHBondContact O-CB 3.34Å; Y152-K156 PolarHBondContact O-N 3.14Å; Y152-K156 PolarHBondContact OH-NZ 2.85Å; Y152-F162 WeakPolarHBondContact CD2-O 3.42Å; Y152-F162 WeakPolarHBondContact CE2-O 3.33Å; Y152-Y165 HydrophobicContact CD1-CD2 4.22Å; Y152-Y165 HydrophobicContact CG-CD2 4.37Å; Y152-A168 HydrophobicContact CD2-CB 4.44Å; Y152-A168 HydrophobicContact CG-CB 4.38Å
153L96.1Very high94.2Very high97 Ų9763.6 Ų63.651%0.50830%0.3SS..Hα-helixtrans-60.6-31.1-179.9-72.7-176.8000113.2F149 L150F149-L153 HydrophobicContact CD1-CD1 4.12Å; F149-L153 HydrophobicContact CE1-CD1 3.51Å; F149-L153 HydrophobicContact CE1-CG 4.2Å; F149-L153 HydrophobicContact CE2-CD1 4.45Å; F149-L153 HydrophobicContact CE2-CD2 4.43Å; F149-L153 HydrophobicContact CE2-CG 4.36Å; F149-L153 HydrophobicContact CZ-CD1 3.71Å; F149-L153 HydrophobicContact CZ-CD2 4.27Å; F149-L153 HydrophobicContact CZ-CG 4.09Å; F149-L153 WeakPolarHBondContact O-CG 3.44Å; F149-L153 PolarHBondContact O-N 3.4Å; L150-L153 PolarHBondContact O-N 2.98Å
154V95.7Very high94.2Very high39 Ų3965.6 Ų65.624%0.23631%0.312CS..Hα-helixtrans-86.2-36.4-179.3172.60000112.5L150 V151 Y152 F158 T188 T190 L194L150-V154 WeakPolarHBondContact O-CG2 3.24Å; L150-V154 PolarHBondContact O-N 2.9Å; V151-V154 PolarHBondContact O-N 3.45Å; Y152-V154 PolarHBondContact O-N 2.88Å; V154-F158 WeakPolarHBondContact O-CD2 3.35Å; V154-T188 WeakPolarHBondContact CG1-OG1 3.47Å; V154-T190 VanDerWaalsContact CG1-OG1 3.27Å; V154-T190 WeakPolarHBondContact CG1-OG1 3.47Å; V154-L194 HydrophobicContact CG2-CD1 3.84Å
155E94.8Very high94.1Very high0 Ų068.7 Ų68.70%032%0.324CS..Hα-helixtrans-89.4-23.8-176-68.5-69.1143.800113.6V151 Y152 E157 F158 N159 F162 P186 Q187 T188V151-E155 HydrophobicContact CG1-CG 3.93Å; V151-E155 WeakPolarHBondContact O-CB 3.23Å; V151-E155 WeakPolarHBondContact O-CG 3.26Å; V151-E155 PolarHBondContact O-N 3.16Å; Y152-E155 PolarHBondContact O-N 3.06Å; E155-E157 VanDerWaalsContact C-N 3.28Å; E155-E157 PolarHBondContact O-N 3.13Å; E155-E157 VanDerWaalsContact O-N 3.14Å; E155-F158 PolarHBondContact O-N 3.14Å; E155-N159 HydrophobicContact CB-CB 4.43Å; E155-N159 PolarHBondContact O-N 3.43Å; E155-F162 HydrophobicContact CB-CB 4.02Å; E155-F162 HydrophobicContact CB-CD2 3.73Å; E155-F162 HydrophobicContact CB-CE2 4.36Å; E155-F162 HydrophobicContact CB-CG 3.88Å; E155-F162 HydrophobicContact CG-CD2 4.19Å; E155-F162 HydrophobicContact CG-CE2 4.33Å; E155-P186 VanDerWaalsContact CD-CA 3.4Å; E155-P186 HydrophobicContact CG-CB 3.93Å; E155-P186 WeakPolarHBondContact OE1-CA 3.42Å; E155-P186 WeakPolarHBondContact OE1-CB 3.44Å; E155-P186 WeakPolarHBondContact OE2-CA 3.48Å; E155-Q187 VanDerWaalsContact CD-N 3.32Å; E155-Q187 PolarHBondContact OE1-N 3.07Å; E155-Q187 PolarHBondContact OE2-N 3.39Å; E155-T188 VanDerWaalsContact OE1-CB 3.3Å; E155-T188 WeakPolarHBondContact OE1-CB 3.44Å; E155-T188 WeakPolarHBondContact OE1-CG2 3.14Å; E155-T188 PolarHBondContact OE1-N 2.96Å; E155-T188 PolarHBondContact OE1-OG1 2.95Å
156K93.4Very high94.1Very high95 Ų9569.1 Ų69.141%0.41334%0.335SS..THydrogen-bonded Turntrans-52.8-40.6-172.2-179.2176.2-170.2166.40114.4Y152 F158Y152-K156 HydrophobicContact CD2-CB 4.4Å; Y152-K156 HydrophobicContact CE2-CB 4.28Å; Y152-K156 HydrophobicContact CE2-CD 3.81Å; Y152-K156 HydrophobicContact CE2-CG 4.23Å; Y152-K156 WeakPolarHBondContact O-CB 3.34Å; Y152-K156 PolarHBondContact O-N 3.14Å; Y152-K156 PolarHBondContact OH-NZ 2.85Å; K156-F158 VanDerWaalsContact C-N 3.35Å
157E90.3Very high94Very high171 Ų17165.6 Ų65.680%0.79932%0.322SS*.THydrogen-bonded Turntrans-80.3-17.7-176.8-62.6-173.1173.400113E155E155-E157 VanDerWaalsContact C-N 3.28Å; E155-E157 PolarHBondContact O-N 3.13Å; E155-E157 VanDerWaalsContact O-N 3.14Å
158F87.4Confident94Very high155 Ų15565.5 Ų65.568%0.6832%0.321SS*.THydrogen-bonded Turntrans-113.8-24.2-172-58.8-80.3000113.8V154 E155 K156 T188V154-F158 WeakPolarHBondContact O-CD2 3.35Å; E155-F158 PolarHBondContact O-N 3.14Å; K156-F158 VanDerWaalsContact C-N 3.35Å; F158-T188 HydrophobicContact CB-CG2 3.72Å; F158-T188 HydrophobicContact CD2-CG2 3.74Å; F158-T188 HydrophobicContact CG-CG2 3.79Å
159N89.3Confident94Very high14 Ų1468 Ų688%0.07534%0.335CS..  trans-131.8118-174.7-173-1.2000112E155 E161 F162 T185E155-N159 HydrophobicContact CB-CB 4.43Å; E155-N159 PolarHBondContact O-N 3.43Å; N159-E161 PolarHBondContact ND2-OE2 3.04Å; N159-E161 PolarHBondContact O-N 2.86Å; N159-E161 VanDerWaalsContact OD1-CB 3.27Å; N159-E161 WeakPolarHBondContact OD1-CB 3.34Å; N159-E161 VanDerWaalsContact OD1-CG 3.23Å; N159-E161 WeakPolarHBondContact OD1-CG 3.29Å; N159-E161 PolarHBondContact OD1-N 3.32Å; N159-F162 HydrophobicContact CB-CD2 4.23Å; N159-F162 PolarHBondContact O-N 3.24Å; N159-F162 VanDerWaalsContact O-N 3.15Å; N159-T185 PolarHBondContact ND2-O 3.05Å
160K88.6Confident94Very high203 Ų20368.8 Ų68.888%0.88334%0.335SS*.G310 helixtrans-66.5-14.6177.1-63.5-177.2-179.9179.70113.8F162K160-F162 PolarHBondContact O-N 3.14Å
161E90.4Very high94.1Very high65 Ų6566.5 Ų66.530%0.30432%0.322SS..G310 helixtrans-66-21.5172.5-63.6164.4-168.900112.6N159 D167 K184 T185N159-E161 PolarHBondContact ND2-OE2 3.04Å; N159-E161 PolarHBondContact O-N 2.86Å; N159-E161 VanDerWaalsContact OD1-CB 3.27Å; N159-E161 WeakPolarHBondContact OD1-CB 3.34Å; N159-E161 VanDerWaalsContact OD1-CG 3.23Å; N159-E161 WeakPolarHBondContact OD1-CG 3.29Å; N159-E161 PolarHBondContact OD1-N 3.32Å; E161-D167 WeakPolarHBondContact O-CB 3.42Å; E161-K184 HydrophobicContact CB-CB 4.32Å; E161-K184 HydrophobicContact CB-CG 4.17Å; E161-K184 WeakPolarHBondContact OE2-CA 3.37Å; E161-T185 PolarHBondContact OE2-N 3.25Å
162F93Very high94.1Very high0 Ų066.5 Ų66.50%032%0.322CS..G310 helixtrans-113.438-176.3-67.8-88.4000112.9V151 Y152 E155 N159 K160 A168 W171 K184V151-F162 HydrophobicContact CG1-CE1 4.22Å; V151-F162 HydrophobicContact CG1-CZ 4.42Å; Y152-F162 WeakPolarHBondContact CD2-O 3.42Å; Y152-F162 WeakPolarHBondContact CE2-O 3.33Å; E155-F162 HydrophobicContact CB-CB 4.02Å; E155-F162 HydrophobicContact CB-CD2 3.73Å; E155-F162 HydrophobicContact CB-CE2 4.36Å; E155-F162 HydrophobicContact CB-CG 3.88Å; E155-F162 HydrophobicContact CG-CD2 4.19Å; E155-F162 HydrophobicContact CG-CE2 4.33Å; N159-F162 HydrophobicContact CB-CD2 4.23Å; N159-F162 PolarHBondContact O-N 3.24Å; N159-F162 VanDerWaalsContact O-N 3.15Å; K160-F162 PolarHBondContact O-N 3.14Å; F162-A168 HydrophobicContact CD1-CB 3.85Å; F162-A168 HydrophobicContact CE1-CB 4.29Å; F162-W171 HydrophobicContact CE1-CB 3.81Å; F162-W171 AromaticContact CE1-CD2 4Å; F162-W171 HydrophobicContact CE1-CD2 4Å; F162-W171 HydrophobicContact CE1-CE3 4.24Å; F162-W171 AromaticContact CE1-CG 3.78Å; F162-W171 HydrophobicContact CE1-CG 3.78Å; F162-W171 HydrophobicContact CZ-CB 4.15Å; F162-W171 HydrophobicContact CZ-CD2 4.09Å; F162-W171 AromaticContact CZ-CG 3.77Å; F162-W171 HydrophobicContact CZ-CG 3.77Å; F162-K184 HydrophobicContact CZ-CB 4.35Å
163D91.3Very high94.1Very high108 Ų10867.2 Ų67.258%0.57833%0.33SS*.SBendtrans-62.5-42.7-179.3-171.531.7000112.7
164T95.5Very high94.2Very high60 Ų6063 Ų6337%0.36831%0.308SS..SBendtrans-111154.6176.883.90000113.2A166 D167 A168T164-A166 PolarHBondContact O-N 3.35Å; T164-A166 PolarHBondContact OG1-N 2.87Å; T164-D167 VanDerWaalsContact CB-OD2 3.3Å; T164-D167 WeakPolarHBondContact CB-OD2 3.23Å; T164-D167 PolarHBondContact N-OD2 3.03Å; T164-D167 VanDerWaalsContact N-OD2 3.11Å; T164-D167 WeakPolarHBondContact O-CB 3.04Å; T164-D167 PolarHBondContact O-N 3.02Å; T164-D167 VanDerWaalsContact O-N 3.09Å; T164-D167 PolarHBondContact OG1-N 3.43Å; T164-D167 PolarHBondContact OG1-OD2 2.88Å; T164-A168 PolarHBondContact O-N 3.36Å
165Y96.1Very high94.2Very high74 Ų7462.9 Ų62.929%0.2931%0.307SS..Hα-helixtrans-60.7-26.3171.6178.3-109.4000112.8I145 F149 Y152 D167 A168 L169I145-Y165 PolarHBondContact O-OH 3.47Å; F149-Y165 HydrophobicContact CB-CE2 3.86Å; F149-Y165 HydrophobicContact CD2-CD2 4.27Å; F149-Y165 HydrophobicContact CD2-CE2 4.11Å; Y152-Y165 HydrophobicContact CD1-CD2 4.22Å; Y152-Y165 HydrophobicContact CG-CD2 4.37Å; Y165-D167 VanDerWaalsContact C-N 3.32Å; Y165-A168 PolarHBondContact O-N 2.97Å; Y165-L169 WeakPolarHBondContact O-CB 3.34Å; Y165-L169 PolarHBondContact O-N 3.23Å
166A97Very high94.2Very high64 Ų6463 Ų6353%0.52931%0.308SS..Hα-helixtrans-67.6-34.2175.800000111.8T164 L169 W170T164-A166 PolarHBondContact O-N 3.35Å; T164-A166 PolarHBondContact OG1-N 2.87Å; A166-L169 PolarHBondContact O-N 2.89Å; A166-W170 WeakPolarHBondContact O-CB 3.43Å; A166-W170 PolarHBondContact O-N 3.32Å
167D95.8Very high94.3Very high42 Ų4260.8 Ų60.823%0.22530%0.302CS..Hα-helixtrans-65.9-41.2174.9-60.5-62.6000111.8E161 T164 Y165 W170 W171 K184E161-D167 WeakPolarHBondContact O-CB 3.42Å; T164-D167 VanDerWaalsContact CB-OD2 3.3Å; T164-D167 WeakPolarHBondContact CB-OD2 3.23Å; T164-D167 PolarHBondContact N-OD2 3.03Å; T164-D167 VanDerWaalsContact N-OD2 3.11Å; T164-D167 WeakPolarHBondContact O-CB 3.04Å; T164-D167 PolarHBondContact O-N 3.02Å; T164-D167 VanDerWaalsContact O-N 3.09Å; T164-D167 PolarHBondContact OG1-N 3.43Å; T164-D167 PolarHBondContact OG1-OD2 2.88Å; Y165-D167 VanDerWaalsContact C-N 3.32Å; D167-W170 WeakPolarHBondContact O-CB 3.45Å; D167-W170 PolarHBondContact O-N 3.36Å; D167-W171 PolarHBondContact O-N 3.31Å; D167-K184 HydrophobicContact CB-CD 4.26Å; D167-K184 IonicContact OD1-NZ 3.33Å; D167-K184 PolarHBondContact OD1-NZ 2.91Å
168A96.1Very high94.6Very high0 Ų057.4 Ų57.40%029%0.293CS..Hα-helixtrans-67.1-37.8174.400000112.7S148 Y152 F162 T164 Y165 W171 G172S148-A168 WeakPolarHBondContact O-CB 3.36Å; S148-A168 PolarHBondContact OG-O 3.24Å; Y152-A168 HydrophobicContact CD2-CB 4.44Å; Y152-A168 HydrophobicContact CG-CB 4.38Å; F162-A168 HydrophobicContact CD1-CB 3.85Å; F162-A168 HydrophobicContact CE1-CB 4.29Å; T164-A168 PolarHBondContact O-N 3.36Å; Y165-A168 PolarHBondContact O-N 2.97Å; A168-W171 PolarHBondContact O-N 3.19Å; A168-G172 PolarHBondContact O-N 2.99Å
169L97.3Very high95.1Very high53 Ų5354.2 Ų54.228%0.27728%0.282SS..Hα-helixtrans-67.7-37.3176-169.373000112L144 I145 Y165 A166 T173L144-L169 HydrophobicContact CD2-CD1 4.48Å; L144-L169 HydrophobicContact CG-CD1 4.22Å; I145-L169 HydrophobicContact CD1-CD1 3.81Å; Y165-L169 WeakPolarHBondContact O-CB 3.34Å; Y165-L169 PolarHBondContact O-N 3.23Å; A166-L169 PolarHBondContact O-N 2.89Å; L169-T173 WeakPolarHBondContact O-CB 3.3Å; L169-T173 PolarHBondContact O-N 3.01Å; L169-T173 PolarHBondContact O-OG1 3.39Å
170W97.4Very high95.4Very high109 Ų10956.1 Ų56.141%0.41331%0.305SS..Hα-helixtrans-60-54.2170.1167.3-103.1000110.8A166 D167 G172 T173 I174 Y181 D183A166-W170 WeakPolarHBondContact O-CB 3.43Å; A166-W170 PolarHBondContact O-N 3.32Å; D167-W170 WeakPolarHBondContact O-CB 3.45Å; D167-W170 PolarHBondContact O-N 3.36Å; W170-G172 VanDerWaalsContact C-N 3.34Å; W170-G172 PolarHBondContact O-N 2.96Å; W170-T173 WeakPolarHBondContact O-CB 3.48Å; W170-T173 PolarHBondContact O-N 2.92Å; W170-T173 VanDerWaalsContact O-N 3.1Å; W170-I174 HydrophobicContact CD2-CG1 3.97Å; W170-I174 HydrophobicContact CE3-CD1 4.43Å; W170-I174 HydrophobicContact CE3-CG1 4.21Å; W170-I174 HydrophobicContact CH2-CD1 3.76Å; W170-I174 HydrophobicContact CH2-CG1 4.05Å; W170-I174 HydrophobicContact CZ2-CD1 3.95Å; W170-I174 HydrophobicContact CZ2-CG1 3.77Å; W170-I174 HydrophobicContact CZ3-CD1 4.01Å; W170-I174 HydrophobicContact CZ3-CG1 4.25Å; W170-I174 WeakPolarHBondContact O-CG1 3.37Å; W170-I174 PolarHBondContact O-N 3.33Å; W170-Y181 HydrophobicContact CH2-CD2 4.46Å; W170-Y181 HydrophobicContact CH2-CE2 4.02Å; W170-Y181 AromaticContact CZ2-CD2 3.91Å; W170-Y181 HydrophobicContact CZ2-CD2 3.91Å; W170-Y181 AromaticContact CZ2-CE2 3.93Å; W170-Y181 HydrophobicContact CZ2-CE2 3.93Å; W170-D183 PolarHBondContact NE1-OD2 3.13Å
171W97Very high95.7Very high13 Ų1353.4 Ų53.45%0.04929%0.291CS..Hα-helixtrans-54.2-47.8176.8166.777.5000112.3V151 F162 D167 A168 T173 I174 T175 K184 P186 S195V151-W171 HydrophobicContact CB-CE3 4.38Å; V151-W171 HydrophobicContact CB-CH2 4.27Å; V151-W171 HydrophobicContact CB-CZ3 3.8Å; V151-W171 HydrophobicContact CG1-CE3 4.14Å; V151-W171 HydrophobicContact CG1-CH2 4.14Å; V151-W171 HydrophobicContact CG1-CZ3 3.86Å; V151-W171 HydrophobicContact CG2-CH2 3.8Å; V151-W171 HydrophobicContact CG2-CZ3 3.74Å; F162-W171 HydrophobicContact CE1-CB 3.81Å; F162-W171 AromaticContact CE1-CD2 4Å; F162-W171 HydrophobicContact CE1-CD2 4Å; F162-W171 HydrophobicContact CE1-CE3 4.24Å; F162-W171 AromaticContact CE1-CG 3.78Å; F162-W171 HydrophobicContact CE1-CG 3.78Å; F162-W171 HydrophobicContact CZ-CB 4.15Å; F162-W171 HydrophobicContact CZ-CD2 4.09Å; F162-W171 AromaticContact CZ-CG 3.77Å; F162-W171 HydrophobicContact CZ-CG 3.77Å; D167-W171 PolarHBondContact O-N 3.31Å; A168-W171 PolarHBondContact O-N 3.19Å; W171-T173 VanDerWaalsContact C-N 3.31Å; W171-T173 PolarHBondContact O-N 3.17Å; W171-I174 PolarHBondContact O-N 2.94Å; W171-T175 HydrophobicContact CZ2-CG2 4.18Å; W171-T175 PolarHBondContact NE1-OG1 3.46Å; W171-T175 VanDerWaalsContact O-CB 3.29Å; W171-T175 WeakPolarHBondContact O-CB 3.41Å; W171-T175 PolarHBondContact O-N 2.97Å; W171-T175 PolarHBondContact O-OG1 2.79Å; W171-K184 HydrophobicContact CB-CB 4.42Å; W171-P186 HydrophobicContact CZ2-CG 4.47Å; W171-S195 WeakPolarHBondContact CH2-OG 3.47Å; W171-S195 VanDerWaalsContact CZ2-OG 3.31Å; W171-S195 WeakPolarHBondContact CZ2-OG 3.35Å
172G96.5Very high95.8Very high0 Ų052.9 Ų52.90%030%0.303CS..Hα-helixtrans-62.3-38.4178.600000112A168 W170 L176A168-G172 PolarHBondContact O-N 2.99Å; W170-G172 VanDerWaalsContact C-N 3.34Å; W170-G172 PolarHBondContact O-N 2.96Å; G172-L176 WeakPolarHBondContact O-CB 3.46Å; G172-L176 VanDerWaalsContact O-CG 3.31Å; G172-L176 WeakPolarHBondContact O-CG 3.29Å; G172-L176 PolarHBondContact O-N 2.88Å
173T97.3Very high95.9Very high49 Ų4956.5 Ų56.530%0.30132%0.322SS..Hα-helixtrans-65.6-48.6176.7-57.80000111.1L169 W170 W171 T175 T177L169-T173 WeakPolarHBondContact O-CB 3.3Å; L169-T173 PolarHBondContact O-N 3.01Å; L169-T173 PolarHBondContact O-OG1 3.39Å; W170-T173 WeakPolarHBondContact O-CB 3.48Å; W170-T173 PolarHBondContact O-N 2.92Å; W170-T173 VanDerWaalsContact O-N 3.1Å; W171-T173 VanDerWaalsContact C-N 3.31Å; W171-T173 PolarHBondContact O-N 3.17Å; T173-T175 VanDerWaalsContact C-N 3.31Å; T173-T175 PolarHBondContact O-N 3.1Å; T173-T177 WeakPolarHBondContact O-CB 3.24Å; T173-T177 VanDerWaalsContact O-CG2 3.3Å; T173-T177 WeakPolarHBondContact O-CG2 3.5Å; T173-T177 PolarHBondContact O-N 3.5Å; T173-T177 PolarHBondContact O-OG1 3.11Å
174I97.1Very high96Very high10 Ų1053.3 Ų53.35%0.05130%0.303CS..Hα-helixtrans-65.4-33.7179.3-65.8-52.9000112.2W170 W171 I179 G180 Y181W170-I174 HydrophobicContact CD2-CG1 3.97Å; W170-I174 HydrophobicContact CE3-CD1 4.43Å; W170-I174 HydrophobicContact CE3-CG1 4.21Å; W170-I174 HydrophobicContact CH2-CD1 3.76Å; W170-I174 HydrophobicContact CH2-CG1 4.05Å; W170-I174 HydrophobicContact CZ2-CD1 3.95Å; W170-I174 HydrophobicContact CZ2-CG1 3.77Å; W170-I174 HydrophobicContact CZ3-CD1 4.01Å; W170-I174 HydrophobicContact CZ3-CG1 4.25Å; W170-I174 WeakPolarHBondContact O-CG1 3.37Å; W170-I174 PolarHBondContact O-N 3.33Å; W171-I174 PolarHBondContact O-N 2.94Å; I174-I179 HydrophobicContact CD1-CB 4.45Å; I174-I179 HydrophobicContact CD1-CD1 4.04Å; I174-I179 HydrophobicContact CD1-CG2 4.43Å; I174-I179 HydrophobicContact CG2-CB 4.14Å; I174-I179 HydrophobicContact CG2-CG2 4.29Å; I174-I179 PolarHBondContact O-N 3.35Å; I174-G180 PolarHBondContact O-N 2.86Å; I174-Y181 HydrophobicContact CD1-CD2 3.78Å; I174-Y181 HydrophobicContact CD1-CE2 3.53Å; I174-Y181 HydrophobicContact CG1-CD2 3.97Å; I174-Y181 HydrophobicContact CG1-CE2 4.23Å; I174-Y181 HydrophobicContact CG2-CD2 3.79Å; I174-Y181 HydrophobicContact CG2-CG 4.23Å
175T96.2Very high96Very high36 Ų3653 Ų5322%0.22130%0.301CS..Hα-helixtrans-74.8-51.4178-57.80000111.7W171 T173 T177 T178 A199W171-T175 HydrophobicContact CZ2-CG2 4.18Å; W171-T175 PolarHBondContact NE1-OG1 3.46Å; W171-T175 VanDerWaalsContact O-CB 3.29Å; W171-T175 WeakPolarHBondContact O-CB 3.41Å; W171-T175 PolarHBondContact O-N 2.97Å; W171-T175 PolarHBondContact O-OG1 2.79Å; T173-T175 VanDerWaalsContact C-N 3.31Å; T173-T175 PolarHBondContact O-N 3.1Å; T175-T177 VanDerWaalsContact C-N 3.31Å; T175-T177 PolarHBondContact O-N 2.87Å; T175-T178 PolarHBondContact O-N 3.43Å; T175-A199 HydrophobicContact CG2-CB 4.39Å
176L95.8Very high95.9Very high3 Ų350.1 Ų50.12%0.01629%0.291CS..Hα-helixtrans-71.3-23.3-177.6-64.4-168.8000113.7V143 L144 G172 T178 F206V143-L176 HydrophobicContact CG1-CD1 4.24Å; L144-L176 HydrophobicContact CB-CD1 3.96Å; L144-L176 HydrophobicContact CD1-CD1 4.07Å; G172-L176 WeakPolarHBondContact O-CB 3.46Å; G172-L176 VanDerWaalsContact O-CG 3.31Å; G172-L176 WeakPolarHBondContact O-CG 3.29Å; G172-L176 PolarHBondContact O-N 2.88Å; L176-T178 VanDerWaalsContact C-N 3.27Å; L176-F206 HydrophobicContact CB-CD2 4.06Å; L176-F206 HydrophobicContact CB-CE2 4.12Å; L176-F206 HydrophobicContact CD1-CD2 4.42Å; L176-F206 HydrophobicContact CD1-CE2 3.99Å
177T95.8Very high95.8Very high48 Ų4851.2 Ų51.229%0.29429%0.286SS..THydrogen-bonded Turntrans-84.33.5170.3580000113.6T173 T175 I179 F206T173-T177 WeakPolarHBondContact O-CB 3.24Å; T173-T177 VanDerWaalsContact O-CG2 3.3Å; T173-T177 WeakPolarHBondContact O-CG2 3.5Å; T173-T177 PolarHBondContact O-N 3.5Å; T173-T177 PolarHBondContact O-OG1 3.11Å; T175-T177 VanDerWaalsContact C-N 3.31Å; T175-T177 PolarHBondContact O-N 2.87Å; T177-I179 PolarHBondContact O-N 3.39Å; T177-I179 WeakPolarHBondContact OG1-CD1 3.4Å; T177-I179 WeakPolarHBondContact OG1-CG1 3.38Å; T177-F206 HydrophobicContact CG2-CD1 3.97Å; T177-F206 HydrophobicContact CG2-CE1 4.14Å
178T96.3Very high95.8Very high99 Ų9950.2 Ų50.261%0.60728%0.281SS*.THydrogen-bonded Turntrans57.825.7-179.661.80000115T175 L176 I203T175-T178 PolarHBondContact O-N 3.43Å; L176-T178 VanDerWaalsContact C-N 3.27Å; T178-I203 HydrophobicContact CG2-CB 4.27Å; T178-I203 HydrophobicContact CG2-CD1 3.78Å; T178-I203 HydrophobicContact CG2-CG1 3.68Å; T178-I203 HydrophobicContact CG2-CG2 3.62Å
179I96.8Very high95.7Very high88 Ų8860 Ų6045%0.45132%0.318SS..  trans-77.6-47.5175.8-64.4172.8000110.2I174 T177 Y181I174-I179 HydrophobicContact CD1-CB 4.45Å; I174-I179 HydrophobicContact CD1-CD1 4.04Å; I174-I179 HydrophobicContact CD1-CG2 4.43Å; I174-I179 HydrophobicContact CG2-CB 4.14Å; I174-I179 HydrophobicContact CG2-CG2 4.29Å; I174-I179 PolarHBondContact O-N 3.35Å; T177-I179 PolarHBondContact O-N 3.39Å; T177-I179 WeakPolarHBondContact OG1-CD1 3.4Å; T177-I179 WeakPolarHBondContact OG1-CG1 3.38Å; I179-Y181 HydrophobicContact CG2-CD1 3.88Å; I179-Y181 HydrophobicContact CG2-CD2 4.06Å; I179-Y181 HydrophobicContact CG2-CE1 3.6Å; I179-Y181 HydrophobicContact CG2-CE2 3.79Å; I179-Y181 HydrophobicContact CG2-CG 4.09Å
180G95.1Very high95.6Very high54 Ų5461.3 Ų61.356%0.55733%0.329SS*.  trans58.352.317100000115.7I174 G182I174-G180 PolarHBondContact O-N 2.86Å; G180-G182 PolarHBondContact O-N 2.91Å
181Y95.1Very high95.5Very high147 Ų14756.1 Ų56.158%0.57631%0.309SS*.  trans-57.7-28.2178.5-69.5-50.7000114.5W170 I174 I179 D183W170-Y181 HydrophobicContact CH2-CD2 4.46Å; W170-Y181 HydrophobicContact CH2-CE2 4.02Å; W170-Y181 AromaticContact CZ2-CD2 3.91Å; W170-Y181 HydrophobicContact CZ2-CD2 3.91Å; W170-Y181 AromaticContact CZ2-CE2 3.93Å; W170-Y181 HydrophobicContact CZ2-CE2 3.93Å; I174-Y181 HydrophobicContact CD1-CD2 3.78Å; I174-Y181 HydrophobicContact CD1-CE2 3.53Å; I174-Y181 HydrophobicContact CG1-CD2 3.97Å; I174-Y181 HydrophobicContact CG1-CE2 4.23Å; I174-Y181 HydrophobicContact CG2-CD2 3.79Å; I174-Y181 HydrophobicContact CG2-CG 4.23Å; I179-Y181 HydrophobicContact CG2-CD1 3.88Å; I179-Y181 HydrophobicContact CG2-CD2 4.06Å; I179-Y181 HydrophobicContact CG2-CE1 3.6Å; I179-Y181 HydrophobicContact CG2-CE2 3.79Å; I179-Y181 HydrophobicContact CG2-CG 4.09Å; Y181-D183 VanDerWaalsContact C-N 3.28Å; Y181-D183 WeakPolarHBondContact CB-OD1 3.38Å; Y181-D183 PolarHBondContact O-N 2.99Å
182G93.8Very high95.4Very high54 Ų5461.3 Ų61.356%0.55733%0.329SS*.  trans76.711.6-178.900000114.6G180G180-G182 PolarHBondContact O-N 2.91Å
183D94.6Very high95.4Very high76 Ų7666.7 Ų66.741%0.40636%0.357SS..SBendtrans-73.8-26.9179.363.2-49.1000113.8W170 Y181W170-D183 PolarHBondContact NE1-OD2 3.13Å; Y181-D183 VanDerWaalsContact C-N 3.28Å; Y181-D183 WeakPolarHBondContact CB-OD1 3.38Å; Y181-D183 PolarHBondContact O-N 2.99Å
184K93.9Very high95.4Very high40 Ų4067.1 Ų67.117%0.17436%0.357CS..SBendtrans-136.3132.1172.7-59.3-176.5-174.9170.20108.5E161 F162 D167 W171E161-K184 HydrophobicContact CB-CB 4.32Å; E161-K184 HydrophobicContact CB-CG 4.17Å; E161-K184 WeakPolarHBondContact OE2-CA 3.37Å; F162-K184 HydrophobicContact CZ-CB 4.35Å; D167-K184 HydrophobicContact CB-CD 4.26Å; D167-K184 IonicContact OD1-NZ 3.33Å; D167-K184 PolarHBondContact OD1-NZ 2.91Å; W171-K184 HydrophobicContact CB-CB 4.42Å
185T95.1Very high95.3Very high54 Ų5467.1 Ų67.133%0.33136%0.358SS..  trans-145139.3179.957.50000112.1N159 E161 Q187N159-T185 PolarHBondContact ND2-O 3.05Å; E161-T185 PolarHBondContact OE2-N 3.25Å; T185-Q187 PolarHBondContact O-N 3.17Å; T185-Q187 PolarHBondContact OG1-NE2 3.37Å
186P94.7Very high95.3Very high13 Ų1368 Ų688%0.08437%0.369CS..  trans-63.9126.5175.727.7-35.7000110.1V151 E155 W171 R192V151-P186 HydrophobicContact CG1-CB 4.33Å; E155-P186 VanDerWaalsContact CD-CA 3.4Å; E155-P186 HydrophobicContact CG-CB 3.93Å; E155-P186 WeakPolarHBondContact OE1-CA 3.42Å; E155-P186 WeakPolarHBondContact OE1-CB 3.44Å; E155-P186 WeakPolarHBondContact OE2-CA 3.48Å; W171-P186 HydrophobicContact CZ2-CG 4.47Å; P186-R192 HydrophobicContact CB-CG 4.25Å; P186-R192 HydrophobicContact CG-CG 4.06Å; P186-R192 WeakPolarHBondContact O-CG 3.14Å; P186-R192 PolarHBondContact O-NE 3.17Å
187Q93.8Very high95.3Very high88 Ų8869.6 Ų69.641%0.41139%0.386SS..  trans-95.3-30.5-179.4-60-58.8-9.100112.1E155 T185 R192E155-Q187 VanDerWaalsContact CD-N 3.32Å; E155-Q187 PolarHBondContact OE1-N 3.07Å; E155-Q187 PolarHBondContact OE2-N 3.39Å; T185-Q187 PolarHBondContact O-N 3.17Å; T185-Q187 PolarHBondContact OG1-NE2 3.37Å; Q187-R192 PolarHBondContact O-NE 3.08Å
188T95.9Very high95.3Very high21 Ų2169.3 Ų69.313%0.12938%0.38CS..SBendtrans-71.1147.1178.6730000111V154 E155 F158 T190 G191 R192V154-T188 WeakPolarHBondContact CG1-OG1 3.47Å; E155-T188 VanDerWaalsContact OE1-CB 3.3Å; E155-T188 WeakPolarHBondContact OE1-CB 3.44Å; E155-T188 WeakPolarHBondContact OE1-CG2 3.14Å; E155-T188 PolarHBondContact OE1-N 2.96Å; E155-T188 PolarHBondContact OE1-OG1 2.95Å; F158-T188 HydrophobicContact CB-CG2 3.72Å; F158-T188 HydrophobicContact CD2-CG2 3.74Å; F158-T188 HydrophobicContact CG-CG2 3.79Å; T188-T190 VanDerWaalsContact C-N 3.29Å; T188-T190 PolarHBondContact O-N 3Å; T188-T190 PolarHBondContact OG1-OG1 3.33Å; T188-G191 PolarHBondContact O-N 3.21Å; T188-G191 WeakPolarHBondContact OG1-CA 3.23Å; T188-G191 PolarHBondContact OG1-N 2.88Å; T188-R192 WeakPolarHBondContact O-CB 3.49Å; T188-R192 VanDerWaalsContact O-CG 3.29Å; T188-R192 WeakPolarHBondContact O-CG 3.35Å; T188-R192 PolarHBondContact O-N 2.93Å
189W94.8Very high95.2Very high205 Ų20565.5 Ų65.578%0.77736%0.359SS*.Hα-helixtrans-61-39.4175.7175.7-104000112.2R192 L193W189-R192 PolarHBondContact O-N 3.22Å; W189-L193 WeakPolarHBondContact O-CB 3.36Å; W189-L193 PolarHBondContact O-N 2.79Å
190T95.1Very high95.1Very high81 Ų8167.6 Ų67.650%0.49737%0.37SS..Hα-helixtrans-63.9-46.1175.938.20000112V154 T188 L193 L194V154-T190 VanDerWaalsContact CG1-OG1 3.27Å; V154-T190 WeakPolarHBondContact CG1-OG1 3.47Å; T188-T190 VanDerWaalsContact C-N 3.29Å; T188-T190 PolarHBondContact O-N 3Å; T188-T190 PolarHBondContact OG1-OG1 3.33Å; T190-L193 PolarHBondContact O-N 3.32Å; T190-L194 WeakPolarHBondContact O-CB 3.45Å; T190-L194 WeakPolarHBondContact O-CG 3.27Å; T190-L194 PolarHBondContact O-N 3.41Å
191G94.8Very high95.1Very high0 Ų069.7 Ų69.70%037%0.368CS..Hα-helixtrans-62.4-42175.400000112T188 S195T188-G191 PolarHBondContact O-N 3.21Å; T188-G191 WeakPolarHBondContact OG1-CA 3.23Å; T188-G191 PolarHBondContact OG1-N 2.88Å; G191-S195 WeakPolarHBondContact O-CB 3.1Å; G191-S195 PolarHBondContact O-N 3.04Å; G191-S195 PolarHBondContact O-OG 2.92Å
192R95.5Very high95Very high122 Ų12262.7 Ų62.746%0.4634%0.341SS..Hα-helixtrans-62.4-44.3173.9-72.7171.7-178.7-1771.1112.5P186 Q187 T188 W189 S195 A196P186-R192 HydrophobicContact CB-CG 4.25Å; P186-R192 HydrophobicContact CG-CG 4.06Å; P186-R192 WeakPolarHBondContact O-CG 3.14Å; P186-R192 PolarHBondContact O-NE 3.17Å; Q187-R192 PolarHBondContact O-NE 3.08Å; T188-R192 WeakPolarHBondContact O-CB 3.49Å; T188-R192 VanDerWaalsContact O-CG 3.29Å; T188-R192 WeakPolarHBondContact O-CG 3.35Å; T188-R192 PolarHBondContact O-N 2.93Å; W189-R192 PolarHBondContact O-N 3.22Å; R192-S195 PolarHBondContact O-N 2.92Å; R192-A196 WeakPolarHBondContact O-CB 3.39Å; R192-A196 PolarHBondContact O-N 2.98Å
193L97.1Very high95.2Very high112 Ų11263.1 Ų63.159%0.58633%0.329SS*.Hα-helixtrans-64.5-45.9178.7-176.565.2000112W189 T190 S195 A196 G197W189-L193 WeakPolarHBondContact O-CB 3.36Å; W189-L193 PolarHBondContact O-N 2.79Å; T190-L193 PolarHBondContact O-N 3.32Å; L193-S195 VanDerWaalsContact C-N 3.35Å; L193-A196 PolarHBondContact O-N 3.15Å; L193-G197 PolarHBondContact O-N 3.15Å; L193-G197 VanDerWaalsContact O-N 3.1Å
194L95.6Very high95.2Very high59 Ų5963 Ų6331%0.30933%0.334SS..Hα-helixtrans-60.1-45.7173.7-72.9170.6000111.2V151 V154 T190 A196 G197 F198V151-L194 HydrophobicContact CG2-CB 4.35Å; V154-L194 HydrophobicContact CG2-CD1 3.84Å; T190-L194 WeakPolarHBondContact O-CB 3.45Å; T190-L194 WeakPolarHBondContact O-CG 3.27Å; T190-L194 PolarHBondContact O-N 3.41Å; L194-A196 PolarHBondContact O-N 3.28Å; L194-G197 PolarHBondContact O-N 3.05Å; L194-F198 HydrophobicContact CD2-CE2 4.39Å; L194-F198 VanDerWaalsContact O-CD2 3.25Å; L194-F198 WeakPolarHBondContact O-CD2 3.26Å; L194-F198 PolarHBondContact O-N 3.47Å
195S94.9Very high95.3Very high10 Ų1063.8 Ų63.87%0.0734%0.338CS..Hα-helixtrans-61.6-43.2179.3-61.80000112.2V151 W171 G191 R192 L193 F198 A199V151-S195 WeakPolarHBondContact CG2-OG 3.37Å; W171-S195 WeakPolarHBondContact CH2-OG 3.47Å; W171-S195 VanDerWaalsContact CZ2-OG 3.31Å; W171-S195 WeakPolarHBondContact CZ2-OG 3.35Å; G191-S195 WeakPolarHBondContact O-CB 3.1Å; G191-S195 PolarHBondContact O-N 3.04Å; G191-S195 PolarHBondContact O-OG 2.92Å; R192-S195 PolarHBondContact O-N 2.92Å; L193-S195 VanDerWaalsContact C-N 3.35Å; S195-F198 PolarHBondContact O-N 2.89Å; S195-A199 WeakPolarHBondContact O-CB 3.48Å; S195-A199 PolarHBondContact O-N 3.01Å
196A96.3Very high95.3Very high54 Ų5464.5 Ų64.545%0.44634%0.337SS..Hα-helixtrans-62-45.5176.100000111.8R192 L193 L194 A199 L200R192-A196 WeakPolarHBondContact O-CB 3.39Å; R192-A196 PolarHBondContact O-N 2.98Å; L193-A196 PolarHBondContact O-N 3.15Å; L194-A196 PolarHBondContact O-N 3.28Å; A196-A199 PolarHBondContact O-N 2.97Å; A196-L200 WeakPolarHBondContact O-CG 3.45Å; A196-L200 PolarHBondContact O-N 2.84Å
197G95.8Very high95.3Very high36 Ų3666.6 Ų66.637%0.37136%0.355SS..Hα-helixtrans-62.2-46.7177.300000113L193 L194 L201L193-G197 PolarHBondContact O-N 3.15Å; L193-G197 VanDerWaalsContact O-N 3.1Å; L194-G197 PolarHBondContact O-N 3.05Å; G197-L201 PolarHBondContact O-N 2.9Å
198F95.8Very high95.4Very high43 Ų4366.2 Ų66.219%0.18936%0.355CS..Hα-helixtrans-72.6-30.4178.2-77.7-64.5000113.7V143 S147 L150 L194 S195 L201 G202V143-F198 HydrophobicContact CG1-CD1 4.21Å; S147-F198 VanDerWaalsContact OG-CB 3.24Å; S147-F198 WeakPolarHBondContact OG-CB 3.5Å; L150-F198 HydrophobicContact CD1-CE2 3.6Å; L150-F198 HydrophobicContact CD1-CZ 3.63Å; L194-F198 HydrophobicContact CD2-CE2 4.39Å; L194-F198 VanDerWaalsContact O-CD2 3.25Å; L194-F198 WeakPolarHBondContact O-CD2 3.26Å; L194-F198 PolarHBondContact O-N 3.47Å; S195-F198 PolarHBondContact O-N 2.89Å; F198-L201 PolarHBondContact O-N 3Å; F198-G202 PolarHBondContact O-N 2.94Å
199A95.2Very high95.4Very high18 Ų1866.2 Ų66.215%0.14936%0.356CS..Hα-helixtrans-62.5-49174.800000111.2T175 S195 A196 L201 G202 I203T175-A199 HydrophobicContact CG2-CB 4.39Å; S195-A199 WeakPolarHBondContact O-CB 3.48Å; S195-A199 PolarHBondContact O-N 3.01Å; A196-A199 PolarHBondContact O-N 2.97Å; A199-L201 VanDerWaalsContact C-N 3.29Å; A199-L201 PolarHBondContact O-N 3.46Å; A199-G202 PolarHBondContact O-N 3.47Å; A199-I203 HydrophobicContact CB-CD1 4.09Å; A199-I203 VanDerWaalsContact O-CB 3.25Å; A199-I203 WeakPolarHBondContact O-CB 3.47Å; A199-I203 WeakPolarHBondContact O-CD1 3.36Å; A199-I203 WeakPolarHBondContact O-CG1 3.24Å; A199-I203 PolarHBondContact O-N 3.32Å
200L94.7Very high95.4Very high132 Ų13260 Ų6069%0.69135%0.348SS*.Hα-helixtrans-55.7-43.1178.1-70.2170.6000112.4A196 S204A196-L200 WeakPolarHBondContact O-CG 3.45Å; A196-L200 PolarHBondContact O-N 2.84Å; L200-S204 PolarHBondContact O-OG 3.31Å
201L94.4Very high95.4Very high99 Ų9958.3 Ų58.352%0.51835%0.347SS..Hα-helixtrans-72.2-51.1177.7-66.5174.3000112.1G197 F198 A199 S204 F205G197-L201 PolarHBondContact O-N 2.9Å; F198-L201 PolarHBondContact O-N 3Å; A199-L201 VanDerWaalsContact C-N 3.29Å; A199-L201 PolarHBondContact O-N 3.46Å; L201-S204 WeakPolarHBondContact O-CB 3.33Å; L201-S204 PolarHBondContact O-N 3.04Å; L201-F205 VanDerWaalsContact O-CD2 3.24Å; L201-F205 WeakPolarHBondContact O-CD2 3.43Å; L201-F205 PolarHBondContact O-N 3.42Å
202G94.4Very high95.4Very high0 Ų059.4 Ų59.40%035%0.352CS..Hα-helixtrans-70.2-41.2-171.800000113.5F198 A199 S204 F205 F206F198-G202 PolarHBondContact O-N 2.94Å; A199-G202 PolarHBondContact O-N 3.47Å; G202-S204 PolarHBondContact O-N 3.32Å; G202-F205 PolarHBondContact O-N 3Å; G202-F205 VanDerWaalsContact O-N 3.09Å; G202-F206 WeakPolarHBondContact O-CD2 3.34Å; G202-F206 PolarHBondContact O-N 3.27Å
203I96.7Very high95.4Very high62 Ų6255.5 Ų55.532%0.31834%0.341SS..Hα-helixtrans-56.5-42.2175.9-67.4167.1000110.1T178 A199 F205 F206 A207T178-I203 HydrophobicContact CG2-CB 4.27Å; T178-I203 HydrophobicContact CG2-CD1 3.78Å; T178-I203 HydrophobicContact CG2-CG1 3.68Å; T178-I203 HydrophobicContact CG2-CG2 3.62Å; A199-I203 HydrophobicContact CB-CD1 4.09Å; A199-I203 VanDerWaalsContact O-CB 3.25Å; A199-I203 WeakPolarHBondContact O-CB 3.47Å; A199-I203 WeakPolarHBondContact O-CD1 3.36Å; A199-I203 WeakPolarHBondContact O-CG1 3.24Å; A199-I203 PolarHBondContact O-N 3.32Å; I203-F205 PolarHBondContact O-N 3.33Å; I203-F206 PolarHBondContact O-N 3.25Å; I203-A207 WeakPolarHBondContact O-CB 3.32Å; I203-A207 PolarHBondContact O-N 3.31Å
204S95.2Very high95.3Very high73 Ų7352.1 Ų52.151%0.5133%0.332SS..Hα-helixtrans-57.5-47.4176.8-58.90000111.7L200 L201 G202 A207 L208L200-S204 PolarHBondContact O-OG 3.31Å; L201-S204 WeakPolarHBondContact O-CB 3.33Å; L201-S204 PolarHBondContact O-N 3.04Å; G202-S204 PolarHBondContact O-N 3.32Å; S204-A207 PolarHBondContact O-N 3.09Å; S204-L208 WeakPolarHBondContact O-CG 3.46Å; S204-L208 PolarHBondContact O-N 3.43Å
205F95.3Very high95.2Very high57 Ų5752.1 Ų52.125%0.2534%0.337CS..Hα-helixtrans-70.7-35.4178.7-74.2-72.4000113.8I139 L201 G202 I203 A207 L208 P209I139-F205 HydrophobicContact CB-CD1 4.03Å; I139-F205 HydrophobicContact CB-CE1 4.07Å; I139-F205 HydrophobicContact CB-CG 4.46Å; I139-F205 HydrophobicContact CD1-CE1 4.02Å; I139-F205 HydrophobicContact CG2-CD1 3.78Å; I139-F205 HydrophobicContact CG2-CD2 3.9Å; I139-F205 HydrophobicContact CG2-CE1 3.59Å; I139-F205 HydrophobicContact CG2-CE2 3.72Å; I139-F205 HydrophobicContact CG2-CG 3.95Å; I139-F205 HydrophobicContact CG2-CZ 3.58Å; L201-F205 VanDerWaalsContact O-CD2 3.24Å; L201-F205 WeakPolarHBondContact O-CD2 3.43Å; L201-F205 PolarHBondContact O-N 3.42Å; G202-F205 PolarHBondContact O-N 3Å; G202-F205 VanDerWaalsContact O-N 3.09Å; I203-F205 PolarHBondContact O-N 3.33Å; F205-A207 VanDerWaalsContact C-N 3.33Å; F205-L208 HydrophobicContact CD1-CD1 3.87Å; F205-L208 HydrophobicContact CE1-CD1 4.31Å; F205-L208 PolarHBondContact O-N 3Å; F205-P209 WeakPolarHBondContact O-CD 3.33Å
206F95Very high95Very high69 Ų6951.8 Ų51.830%0.30334%0.336SS..Hα-helixtrans-71.2-25.7176.2-88.2-101.3000113G140 L144 L176 T177 G202 I203 P209G140-F206 WeakPolarHBondContact O-CE2 3.49Å; L144-F206 HydrophobicContact CB-CE2 4.45Å; L144-F206 HydrophobicContact CB-CZ 4.46Å; L144-F206 HydrophobicContact CD2-CZ 4.33Å; L176-F206 HydrophobicContact CB-CD2 4.06Å; L176-F206 HydrophobicContact CB-CE2 4.12Å; L176-F206 HydrophobicContact CD1-CD2 4.42Å; L176-F206 HydrophobicContact CD1-CE2 3.99Å; T177-F206 HydrophobicContact CG2-CD1 3.97Å; T177-F206 HydrophobicContact CG2-CE1 4.14Å; G202-F206 WeakPolarHBondContact O-CD2 3.34Å; G202-F206 PolarHBondContact O-N 3.27Å; I203-F206 PolarHBondContact O-N 3.25Å; F206-P209 WeakPolarHBondContact O-CD 3.42Å
207A95.8Very high94.8Very high57 Ų5752.4 Ų52.447%0.47133%0.328SS..Hα-helixtrans-76.9-28.8173.600000113.8I203 S204 F205 A210 G211I203-A207 WeakPolarHBondContact O-CB 3.32Å; I203-A207 PolarHBondContact O-N 3.31Å; S204-A207 PolarHBondContact O-N 3.09Å; F205-A207 VanDerWaalsContact C-N 3.33Å; A207-A210 PolarHBondContact O-N 3.28Å; A207-A210 VanDerWaalsContact O-N 3.14Å; A207-G211 PolarHBondContact O-N 3.15Å
208L95.6Very high94.4Very high80 Ų8053.6 Ų53.642%0.41934%0.335SS..Hα-helixtrans-54.2-43.7-175.7-77.2176.5000114.8A136 S204 F205 A210 G211 I212A136-L208 HydrophobicContact CB-CB 4.06Å; A136-L208 HydrophobicContact CB-CD1 4.33Å; S204-L208 WeakPolarHBondContact O-CG 3.46Å; S204-L208 PolarHBondContact O-N 3.43Å; F205-L208 HydrophobicContact CD1-CD1 3.87Å; F205-L208 HydrophobicContact CE1-CD1 4.31Å; F205-L208 PolarHBondContact O-N 3Å; L208-A210 VanDerWaalsContact C-N 3.26Å; L208-A210 PolarHBondContact O-N 2.75Å; L208-G211 PolarHBondContact O-N 2.8Å; L208-G211 VanDerWaalsContact O-N 3.11Å; L208-I212 HydrophobicContact CB-CD1 4.22Å; L208-I212 VanDerWaalsContact O-CG1 3.29Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 2.95Å
209P95.5Very high93.9Very high21 Ų2156.4 Ų56.414%0.13635%0.351CS..Hα-helixtrans-56.1-36.9178-28.336.2000114L133 A136 F205 F206 L213L133-P209 HydrophobicContact CD2-CB 3.84Å; A136-P209 HydrophobicContact CB-CG 4.39Å; F205-P209 WeakPolarHBondContact O-CD 3.33Å; F206-P209 WeakPolarHBondContact O-CD 3.42Å; P209-L213 WeakPolarHBondContact O-CB 3.35Å; P209-L213 VanDerWaalsContact O-CG 3.23Å; P209-L213 WeakPolarHBondContact O-CG 3.42Å; P209-L213 PolarHBondContact O-N 2.84Å
210A95.2Very high93.3Very high74 Ų7457.9 Ų57.961%0.61235%0.354SS*.Hα-helixtrans-68-43.5176.300000111.5A207 L208 L213 G214A207-A210 PolarHBondContact O-N 3.28Å; A207-A210 VanDerWaalsContact O-N 3.14Å; L208-A210 VanDerWaalsContact C-N 3.26Å; L208-A210 PolarHBondContact O-N 2.75Å; A210-L213 PolarHBondContact O-N 2.9Å; A210-G214 PolarHBondContact O-N 2.84Å
211G95.6Very high92.6Very high46 Ų4656 Ų5647%0.47435%0.348SS..Hα-helixtrans-65.6-42.1176.900000113.7A207 L208 G214 S215A207-G211 PolarHBondContact O-N 3.15Å; L208-G211 PolarHBondContact O-N 2.8Å; L208-G211 VanDerWaalsContact O-N 3.11Å; G211-G214 PolarHBondContact O-N 2.86Å; G211-S215 WeakPolarHBondContact O-CB 3.44Å; G211-S215 PolarHBondContact O-N 3.3Å; G211-S215 PolarHBondContact O-OG 3.18Å
212I95Very high91.7Very high23 Ų2357.8 Ų57.812%0.11835%0.354CS..Hα-helixtrans-64.3-45176.8-66.6161000110.3H129 E132 L133 L208 S215 G216H129-I212 HydrophobicContact CB-CG2 3.6Å; E132-I212 HydrophobicContact CB-CD1 4.11Å; E132-I212 HydrophobicContact CB-CG2 4.42Å; L133-I212 HydrophobicContact CD2-CB 4.36Å; L133-I212 HydrophobicContact CD2-CG2 4.22Å; L133-I212 HydrophobicContact CG-CG2 4.2Å; L208-I212 HydrophobicContact CB-CD1 4.22Å; L208-I212 VanDerWaalsContact O-CG1 3.29Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 2.95Å; I212-S215 PolarHBondContact O-OG 2.91Å; I212-S215 VanDerWaalsContact O-OG 3.1Å; I212-G216 PolarHBondContact O-N 3.47Å
213L95.4Very high90.5Very high41 Ų4161.6 Ų61.622%0.21537%0.371CS..Hα-helixtrans-67.2-43.9177-70.3175.1000111.9V125 V126 L133 P209 A210 G216 F217V125-L213 HydrophobicContact CG1-CD2 4Å; V126-L213 HydrophobicContact CG2-CD2 3.77Å; L133-L213 HydrophobicContact CD1-CD2 4.03Å; L133-L213 HydrophobicContact CD2-CG 4.34Å; P209-L213 WeakPolarHBondContact O-CB 3.35Å; P209-L213 VanDerWaalsContact O-CG 3.23Å; P209-L213 WeakPolarHBondContact O-CG 3.42Å; P209-L213 PolarHBondContact O-N 2.84Å; A210-L213 PolarHBondContact O-N 2.9Å; L213-G216 PolarHBondContact O-N 3.05Å; L213-F217 HydrophobicContact CB-CE2 4.39Å; L213-F217 WeakPolarHBondContact O-CD2 3.3Å; L213-F217 PolarHBondContact O-N 3.12Å
214G94.8Very high89.1Confident40 Ų4063.7 Ų63.741%0.41238%0.38SS..Hα-helixtrans-59.5-49.2178.500000112.9A210 G211 F217 A218A210-G214 PolarHBondContact O-N 2.84Å; G211-G214 PolarHBondContact O-N 2.86Å; G214-F217 PolarHBondContact O-N 3.02Å; G214-A218 PolarHBondContact O-N 3.38Å
215S93Very high87.5Confident59 Ų5966.1 Ų66.141%0.41338%0.383SS..Hα-helixtrans-64.4-41.7174.956.10000112.3G211 I212 F217 A218 L219G211-S215 WeakPolarHBondContact O-CB 3.44Å; G211-S215 PolarHBondContact O-N 3.3Å; G211-S215 PolarHBondContact O-OG 3.18Å; I212-S215 PolarHBondContact O-OG 2.91Å; I212-S215 VanDerWaalsContact O-OG 3.1Å; S215-F217 VanDerWaalsContact C-N 3.33Å; S215-F217 PolarHBondContact O-N 3.12Å; S215-A218 PolarHBondContact O-N 3.05Å; S215-L219 WeakPolarHBondContact O-CB 3.14Å; S215-L219 WeakPolarHBondContact O-CG 3.18Å; S215-L219 PolarHBondContact O-N 3.39Å
216G91.1Very high85.7Confident3 Ų368.6 Ų68.63%0.03139%0.391CS..Hα-helixtrans-61-35.4174.300000113.9I212 L213 K220I212-G216 PolarHBondContact O-N 3.47Å; L213-G216 PolarHBondContact O-N 3.05Å; G216-K220 VanDerWaalsContact O-CB 3.26Å; G216-K220 WeakPolarHBondContact O-CB 3.46Å; G216-K220 PolarHBondContact O-N 3.06Å
217F91.6Very high84Confident68 Ų6868.9 Ų68.930%0.29839%0.393SS..Hα-helixtrans-69.5-45.9170.8-77.4-63.4000112L121 L122 V125 L213 G214 S215 K220 V221L121-F217 HydrophobicContact CD2-CD1 4.21Å; L121-F217 HydrophobicContact CD2-CE1 4.03Å; L121-F217 HydrophobicContact CG-CD1 4.34Å; L121-F217 HydrophobicContact CG-CE1 3.99Å; L122-F217 HydrophobicContact CB-CZ 4.29Å; L122-F217 HydrophobicContact CD1-CE2 4.29Å; L122-F217 HydrophobicContact CD1-CZ 3.77Å; V125-F217 HydrophobicContact CB-CE1 4.49Å; V125-F217 HydrophobicContact CG2-CD1 3.87Å; V125-F217 HydrophobicContact CG2-CE1 3.91Å; V125-F217 HydrophobicContact CG2-CG 4.46Å; L213-F217 HydrophobicContact CB-CE2 4.39Å; L213-F217 WeakPolarHBondContact O-CD2 3.3Å; L213-F217 PolarHBondContact O-N 3.12Å; G214-F217 PolarHBondContact O-N 3.02Å; S215-F217 VanDerWaalsContact C-N 3.33Å; S215-F217 PolarHBondContact O-N 3.12Å; F217-K220 PolarHBondContact O-N 3.38Å; F217-K220 VanDerWaalsContact O-N 3.17Å; F217-V221 WeakPolarHBondContact O-CG2 3.48Å; F217-V221 PolarHBondContact O-N 2.94Å
218A88.3Confident81.8Confident61 Ų6173.3 Ų73.350%0.50440%0.401SS..Hα-helixtrans-58.9-49.8179.900000112G214 S215 K220 V221 Q222G214-A218 PolarHBondContact O-N 3.38Å; S215-A218 PolarHBondContact O-N 3.05Å; A218-K220 VanDerWaalsContact C-N 3.26Å; A218-K220 PolarHBondContact O-N 3.27Å; A218-V221 PolarHBondContact O-N 2.99Å; A218-Q222 PolarHBondContact O-N 3.3Å
219L83.8Confident79.9Confident102 Ų10273.5 Ų73.553%0.53440%0.4SS..Hα-helixtrans-57.8-39.1175.6-70.9172.2000111.9S215 Q222 E223S215-L219 WeakPolarHBondContact O-CB 3.14Å; S215-L219 WeakPolarHBondContact O-CG 3.18Å; S215-L219 PolarHBondContact O-N 3.39Å; L219-Q222 PolarHBondContact O-N 3.36Å; L219-E223 WeakPolarHBondContact O-CB 3.31Å; L219-E223 PolarHBondContact O-N 3.28Å
220K82Confident78.1Confident49 Ų4977.9 Ų77.921%0.21342%0.417CS..Hα-helixtrans-72.5-33.3-179.5-165.2166.9-167.51700113.4L121 S124 V125 G216 F217 A218 Q224L121-K220 HydrophobicContact CD1-CD 3.72Å; L121-K220 HydrophobicContact CD1-CG 4.29Å; L121-K220 PolarHBondContact O-NZ 2.97Å; L121-K220 VanDerWaalsContact O-NZ 3.15Å; S124-K220 VanDerWaalsContact C-NZ 3.33Å; S124-K220 PolarHBondContact OG-NZ 2.95Å; V125-K220 HydrophobicContact CG2-CD 3.5Å; G216-K220 VanDerWaalsContact O-CB 3.26Å; G216-K220 WeakPolarHBondContact O-CB 3.46Å; G216-K220 PolarHBondContact O-N 3.06Å; F217-K220 PolarHBondContact O-N 3.38Å; F217-K220 VanDerWaalsContact O-N 3.17Å; A218-K220 VanDerWaalsContact C-N 3.26Å; A218-K220 PolarHBondContact O-N 3.27Å; K220-Q224 WeakPolarHBondContact O-CG 3.23Å; K220-Q224 PolarHBondContact O-N 2.99Å
221V80.5Confident76.6Confident91 Ų9181.9 Ų81.955%0.55242%0.423SS*.Hα-helixtrans-68.3-41.5171.1171.50000110.3F217 A218 Q224 H225F217-V221 WeakPolarHBondContact O-CG2 3.48Å; F217-V221 PolarHBondContact O-N 2.94Å; A218-V221 PolarHBondContact O-N 2.99Å; V221-Q224 WeakPolarHBondContact O-CB 3.2Å; V221-Q224 PolarHBondContact O-N 2.88Å; V221-H225 PolarHBondContact O-N 2.88Å
222Q75.5Confident75.2Confident138 Ų13885.7 Ų85.765%0.64543%0.427SS*.Hα-helixtrans-62.7-44.5174.6-168.4178.56.400112A218 L219 Q224 H225 R226A218-Q222 PolarHBondContact O-N 3.3Å; L219-Q222 PolarHBondContact O-N 3.36Å; Q222-Q224 VanDerWaalsContact C-N 3.32Å; Q222-Q224 PolarHBondContact O-N 2.8Å; Q222-H225 PolarHBondContact O-N 2.9Å; Q222-H225 VanDerWaalsContact O-N 3.15Å; Q222-R226 PolarHBondContact O-N 3.28Å; Q222-R226 VanDerWaalsContact O-N 3.09Å
223E70.8Confident74.1Confident80 Ų8086.7 Ų86.737%0.37443%0.429SS..Hα-helixtrans-60-39.4173.3-170.579.8-100.600111.7L219 R226 Q227L219-E223 WeakPolarHBondContact O-CB 3.31Å; L219-E223 PolarHBondContact O-N 3.28Å; E223-R226 WeakPolarHBondContact O-CB 3.31Å; E223-R226 PolarHBondContact O-N 3.13Å; E223-R226 IonicContact OE1-CZ 3.76Å; E223-R226 VanDerWaalsContact OE1-CZ 3.3Å; E223-R226 IonicContact OE1-NE 3.9Å; E223-R226 PolarHBondContact OE1-NE 3.22Å; E223-R226 IonicContact OE1-NH2 3.5Å; E223-R226 PolarHBondContact OE1-NH2 3.38Å; E223-R226 IonicContact OE2-NH2 2.68Å; E223-Q227 WeakPolarHBondContact O-CG 3.13Å; E223-Q227 PolarHBondContact O-N 2.72Å
224Q66.7Low73.4Confident106 Ų10693.5 Ų93.550%0.49545%0.452SS..Hα-helixtrans-66-37.1173.7-80.1-176-16.800112.8K220 V221 Q222 R226 Q227K220-Q224 WeakPolarHBondContact O-CG 3.23Å; K220-Q224 PolarHBondContact O-N 2.99Å; V221-Q224 WeakPolarHBondContact O-CB 3.2Å; V221-Q224 PolarHBondContact O-N 2.88Å; Q222-Q224 VanDerWaalsContact C-N 3.32Å; Q222-Q224 PolarHBondContact O-N 2.8Å; Q224-R226 VanDerWaalsContact C-N 3.28Å; Q224-R226 PolarHBondContact O-N 3Å; Q224-Q227 WeakPolarHBondContact O-CB 3.36Å; Q224-Q227 PolarHBondContact O-N 3.41Å
225H61.2Low72.9Confident123 Ų12397 Ų9757%0.56946%0.461SS*.Hα-helixtrans-65.5-34.5175.1-159.2-108.1000111.8V221 Q222 Q227 K228V221-H225 PolarHBondContact O-N 2.88Å; Q222-H225 PolarHBondContact O-N 2.9Å; Q222-H225 VanDerWaalsContact O-N 3.15Å; H225-Q227 PolarHBondContact O-N 2.93Å; H225-K228 PolarHBondContact NE2-NZ 3.01Å; H225-K228 PolarHBondContact O-N 3.2Å
226R58.3Low72.6Confident110 Ų11095.4 Ų95.442%0.41545%0.449SS..Hα-helixtrans-64.5-17.9171.6-162.7164.674.6134.6-5.4113.5Q222 E223 Q224 K228 H229 Y452Q222-R226 PolarHBondContact O-N 3.28Å; Q222-R226 VanDerWaalsContact O-N 3.09Å; E223-R226 WeakPolarHBondContact O-CB 3.31Å; E223-R226 PolarHBondContact O-N 3.13Å; E223-R226 IonicContact OE1-CZ 3.76Å; E223-R226 VanDerWaalsContact OE1-CZ 3.3Å; E223-R226 IonicContact OE1-NE 3.9Å; E223-R226 PolarHBondContact OE1-NE 3.22Å; E223-R226 IonicContact OE1-NH2 3.5Å; E223-R226 PolarHBondContact OE1-NH2 3.38Å; E223-R226 IonicContact OE2-NH2 2.68Å; Q224-R226 VanDerWaalsContact C-N 3.28Å; Q224-R226 PolarHBondContact O-N 3Å; R226-K228 VanDerWaalsContact C-N 3.26Å; R226-K228 PolarHBondContact O-N 3.27Å; R226-H229 PolarHBondContact O-CD2 3.33Å; R226-H229 VanDerWaalsContact O-CD2 3.31Å; R226-Y452 PolarHBondContact NH1-O 3.45Å
227Q57.8Low72.6Confident75 Ų7596.6 Ų96.635%0.3546%0.459SS..G310 helixtrans-77.60.3177.1-67.9170.727.500114.5E223 Q224 H225 H229 F230E223-Q227 WeakPolarHBondContact O-CG 3.13Å; E223-Q227 PolarHBondContact O-N 2.72Å; Q224-Q227 WeakPolarHBondContact O-CB 3.36Å; Q224-Q227 PolarHBondContact O-N 3.41Å; H225-Q227 PolarHBondContact O-N 2.93Å; Q227-H229 PolarHBondContact O-N 3.33Å; Q227-F230 HydrophobicContact CB-CD2 3.84Å; Q227-F230 HydrophobicContact CB-CE2 3.86Å; Q227-F230 HydrophobicContact CG-CE2 4.28Å; Q227-F230 WeakPolarHBondContact O-CB 3.4Å; Q227-F230 WeakPolarHBondContact O-CD2 3.39Å; Q227-F230 PolarHBondContact O-N 3.35Å
228K50.4Low72.6Confident149 Ų14995.4 Ų95.465%0.64846%0.461SS*.G310 helixtrans-55.1-15.3167.2-79176.5171.9171.70113.5H225 R226 F230H225-K228 PolarHBondContact NE2-NZ 3.01Å; H225-K228 PolarHBondContact O-N 3.2Å; R226-K228 VanDerWaalsContact C-N 3.26Å; R226-K228 PolarHBondContact O-N 3.27Å; K228-F230 PolarHBondContact O-N 3.18Å
229H55.8Low72.6Confident85 Ų8595 Ų9539%0.39446%0.455SS..G310 helixtrans-67.40.5166.3-62-45000115.9R226 Q227 E231 K232 Y452R226-H229 PolarHBondContact O-CD2 3.33Å; R226-H229 VanDerWaalsContact O-CD2 3.31Å; Q227-H229 PolarHBondContact O-N 3.33Å; H229-E231 PolarHBondContact O-N 2.95Å; H229-E231 VanDerWaalsContact O-N 3.13Å; H229-K232 WeakPolarHBondContact O-CB 3.4Å; H229-K232 PolarHBondContact O-N 2.91Å; H229-Y452 HydrophobicContact CB-CE2 4.14Å; H229-Y452 AromaticContact CD2-CD2 3.85Å
230F57.4Low73.1Confident112 Ų11291.5 Ų91.549%0.49144%0.437SS..G310 helixtrans-54-30.2177.1-101.5-68.1000113.9Q227 K228 K232 R233Q227-F230 HydrophobicContact CB-CD2 3.84Å; Q227-F230 HydrophobicContact CB-CE2 3.86Å; Q227-F230 HydrophobicContact CG-CE2 4.28Å; Q227-F230 WeakPolarHBondContact O-CB 3.4Å; Q227-F230 WeakPolarHBondContact O-CD2 3.39Å; Q227-F230 PolarHBondContact O-N 3.35Å; K228-F230 PolarHBondContact O-N 3.18Å; F230-K232 VanDerWaalsContact C-N 3.27Å; F230-K232 PolarHBondContact O-N 2.87Å; F230-R233 VanDerWaalsContact CE1-NH1 3.25Å; F230-R233 VanDerWaalsContact O-CB 3.3Å; F230-R233 WeakPolarHBondContact O-CB 3.48Å; F230-R233 PolarHBondContact O-N 3.02Å
231E63.4Low73.6Confident159 Ų15994.9 Ų94.974%0.74346%0.456SS*.G310 helixtrans-61-35.1176.5-62.8-171.8151.300112.7H229 R233 R234H229-E231 PolarHBondContact O-N 2.95Å; H229-E231 VanDerWaalsContact O-N 3.13Å; E231-R233 PolarHBondContact O-N 3.31Å; E231-R234 WeakPolarHBondContact O-CB 3.49Å; E231-R234 PolarHBondContact O-N 3.08Å; E231-R234 VanDerWaalsContact O-N 3.17Å
232K66.3Low74.1Confident125 Ų12595.1 Ų95.154%0.54345%0.451SS..G310 helixtrans-63.5-22.1174.9-62.5-175.8176.2-179.40112.5H229 F230 P236 Y452H229-K232 WeakPolarHBondContact O-CB 3.4Å; H229-K232 PolarHBondContact O-N 2.91Å; F230-K232 VanDerWaalsContact C-N 3.27Å; F230-K232 PolarHBondContact O-N 2.87Å; K232-P236 VanDerWaalsContact O-CD 3.29Å; K232-P236 WeakPolarHBondContact O-CD 3.44Å; K232-Y452 WeakPolarHBondContact CD-OH 3.35Å
233R71.8Confident74.7Confident45 Ų4589.3 Ų89.317%0.1743%0.426CS..G310 helixtrans-80.1-14.2179.1-59.1175167.1166.2-8.3113.4F230 E231 N235 P236 A237 T448 L449 R450F230-R233 VanDerWaalsContact CE1-NH1 3.25Å; F230-R233 VanDerWaalsContact O-CB 3.3Å; F230-R233 WeakPolarHBondContact O-CB 3.48Å; F230-R233 PolarHBondContact O-N 3.02Å; E231-R233 PolarHBondContact O-N 3.31Å; R233-N235 PolarHBondContact O-N 2.79Å; R233-P236 WeakPolarHBondContact O-CD 3.44Å; R233-A237 WeakPolarHBondContact O-CB 3.28Å; R233-A237 PolarHBondContact O-N 2.72Å; R233-A237 VanDerWaalsContact O-N 3.1Å; R233-T448 VanDerWaalsContact CZ-O 3.28Å; R233-T448 PolarHBondContact NE-O 3.03Å; R233-T448 PolarHBondContact NH2-O 2.94Å; R233-L449 PolarHBondContact NH2-O 3.18Å; R233-R450 PolarHBondContact NH2-O 2.94Å
234R81.9Confident75.7Confident183 Ų18387.4 Ų87.469%0.69142%0.424SS*.Hα-helixtrans-63.2-42.3-177.2-167.4173.270.6-168.41.6112.6E231 A237 A238E231-R234 WeakPolarHBondContact O-CB 3.49Å; E231-R234 PolarHBondContact O-N 3.08Å; E231-R234 VanDerWaalsContact O-N 3.17Å; R234-A237 PolarHBondContact O-N 3.45Å; R234-A238 WeakPolarHBondContact O-CB 3.44Å; R234-A238 PolarHBondContact O-N 3.1Å
235N83.8Confident76.8Confident115 Ų11589 Ų8962%0.61543%0.426SS*.Hα-helixtrans-70.9-45.1-177.6-61.3-8.3000112.5R233 A237 A238 S239R233-N235 PolarHBondContact O-N 2.79Å; N235-A237 PolarHBondContact O-N 3.11Å; N235-A238 PolarHBondContact O-N 3.2Å; N235-S239 PolarHBondContact O-N 3.36Å
236P87Confident77.9Confident25 Ų2587.5 Ų87.516%0.16242%0.415CS..Hα-helixtrans-57.2-41.4168.8-27.234.3000114.1K232 R233 S239 L240 F445 T448K232-P236 VanDerWaalsContact O-CD 3.29Å; K232-P236 WeakPolarHBondContact O-CD 3.44Å; R233-P236 WeakPolarHBondContact O-CD 3.44Å; P236-S239 PolarHBondContact O-N 3.06Å; P236-S239 PolarHBondContact O-OG 3.35Å; P236-L240 PolarHBondContact O-N 2.86Å; P236-L240 VanDerWaalsContact O-N 3.09Å; P236-F445 HydrophobicContact CB-CD2 4.29Å; P236-T448 HydrophobicContact CB-CG2 3.99Å; P236-T448 HydrophobicContact CG-CG2 3.6Å
237A90Very high79.2Confident28 Ų2884 Ų8423%0.23140%0.404CS..Hα-helixtrans-62.8-45.8177.200000111.9R233 R234 N235 S239 L240 I241 F445R233-A237 WeakPolarHBondContact O-CB 3.28Å; R233-A237 PolarHBondContact O-N 2.72Å; R233-A237 VanDerWaalsContact O-N 3.1Å; R234-A237 PolarHBondContact O-N 3.45Å; N235-A237 PolarHBondContact O-N 3.11Å; A237-S239 PolarHBondContact O-N 3.49Å; A237-L240 PolarHBondContact O-N 3.48Å; A237-I241 WeakPolarHBondContact O-CG1 3.48Å; A237-I241 PolarHBondContact O-N 3.17Å; A237-I241 VanDerWaalsContact O-N 3.09Å; A237-F445 HydrophobicContact CB-CD2 4.11Å; A237-F445 HydrophobicContact CB-CE2 3.73Å
238A91.9Very high80.5Confident42 Ų4285.9 Ų85.935%0.34741%0.409SS..Hα-helixtrans-60.9-43.6176.800000112R234 N235 L240 I241 Q242R234-A238 WeakPolarHBondContact O-CB 3.44Å; R234-A238 PolarHBondContact O-N 3.1Å; N235-A238 PolarHBondContact O-N 3.2Å; A238-L240 VanDerWaalsContact C-N 3.35Å; A238-L240 PolarHBondContact O-N 3.39Å; A238-I241 PolarHBondContact O-N 2.72Å; A238-Q242 WeakPolarHBondContact O-CG 3.42Å; A238-Q242 PolarHBondContact O-N 3.09Å
239S89.1Confident82Confident52 Ų5278.8 Ų78.836%0.36438%0.378SS..Hα-helixtrans-65.2-36.2178.974.40000112.8N235 P236 A237 A243N235-S239 PolarHBondContact O-N 3.36Å; P236-S239 PolarHBondContact O-N 3.06Å; P236-S239 PolarHBondContact O-OG 3.35Å; A237-S239 PolarHBondContact O-N 3.49Å; S239-A243 VanDerWaalsContact O-CB 3.29Å; S239-A243 WeakPolarHBondContact O-CB 3.38Å; S239-A243 PolarHBondContact O-N 3.45Å
240L93.7Very high82.9Confident30 Ų3074.9 Ų74.916%0.15736%0.36CS..Hα-helixtrans-63.7-46.1173.2175.758.6000112.2P236 A237 A238 A243 A244 F438 A441 K442 F445P236-L240 PolarHBondContact O-N 2.86Å; P236-L240 VanDerWaalsContact O-N 3.09Å; A237-L240 PolarHBondContact O-N 3.48Å; A238-L240 VanDerWaalsContact C-N 3.35Å; A238-L240 PolarHBondContact O-N 3.39Å; L240-A243 PolarHBondContact O-N 2.89Å; L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 3.33Å; L240-F438 HydrophobicContact CD1-CD2 4.02Å; L240-F438 HydrophobicContact CD1-CE2 3.72Å; L240-A441 HydrophobicContact CD1-CB 4.32Å; L240-K442 HydrophobicContact CD1-CB 3.95Å; L240-F445 HydrophobicContact CB-CB 4.41Å; L240-F445 HydrophobicContact CD2-CB 3.88Å; L240-F445 HydrophobicContact CD2-CD1 3.45Å; L240-F445 VanDerWaalsContact CD2-CD1 3.45Å; L240-F445 HydrophobicContact CD2-CE1 4.17Å; L240-F445 HydrophobicContact CD2-CG 3.75Å
241I93.1Very high83.8Confident120 Ų12071.7 Ų71.762%0.61535%0.349SS*.Hα-helixtrans-61-47178-66.3164.5000110.2A237 A238 A243 A244 W245A237-I241 WeakPolarHBondContact O-CG1 3.48Å; A237-I241 PolarHBondContact O-N 3.17Å; A237-I241 VanDerWaalsContact O-N 3.09Å; A238-I241 PolarHBondContact O-N 2.72Å; I241-A243 PolarHBondContact O-N 3.15Å; I241-A244 PolarHBondContact O-N 3.37Å; I241-W245 PolarHBondContact O-N 3.01Å
242Q90.9Very high83.9Confident96 Ų9667.3 Ų67.345%0.44935%0.346SS..Hα-helixtrans-63.5-38.9177.1-67179.81400112.7A238 R246A238-Q242 WeakPolarHBondContact O-CG 3.42Å; A238-Q242 PolarHBondContact O-N 3.09Å; Q242-R246 WeakPolarHBondContact O-CB 3.34Å; Q242-R246 VanDerWaalsContact O-CG 3.22Å; Q242-R246 WeakPolarHBondContact O-CG 3.21Å; Q242-R246 PolarHBondContact O-N 2.99Å
243A88.6Confident84Confident16 Ų1665.4 Ų65.413%0.13235%0.354CS..Hα-helixtrans-66.8-39.4176.800000112S239 L240 I241 L247 A441S239-A243 VanDerWaalsContact O-CB 3.29Å; S239-A243 WeakPolarHBondContact O-CB 3.38Å; S239-A243 PolarHBondContact O-N 3.45Å; L240-A243 PolarHBondContact O-N 2.89Å; I241-A243 PolarHBondContact O-N 3.15Å; A243-L247 WeakPolarHBondContact O-CB 3.29Å; A243-L247 PolarHBondContact O-N 2.75Å; A243-A441 HydrophobicContact CB-CB 3.98Å
244A91.2Very high83.8Confident39 Ų3967.2 Ų67.232%0.32236%0.36SS..Hα-helixtrans-64.2-45.4175.300000112L240 I241 L247 Y248 F438L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 3.33Å; I241-A244 PolarHBondContact O-N 3.37Å; A244-L247 PolarHBondContact O-N 3.32Å; A244-Y248 WeakPolarHBondContact O-CB 3.35Å; A244-Y248 PolarHBondContact O-N 3.34Å; A244-F438 HydrophobicContact CB-CD2 4.11Å; A244-F438 HydrophobicContact CB-CE2 3.89Å
245W88.9Confident82.9Confident139 Ų13963.4 Ų63.453%0.52736%0.359SS..Hα-helixtrans-64.2-44.1176.2-176.288.5000112I241 L247 Y248 S249 T260I241-W245 PolarHBondContact O-N 3.01Å; W245-L247 VanDerWaalsContact C-N 3.32Å; W245-L247 PolarHBondContact O-N 3.48Å; W245-Y248 WeakPolarHBondContact O-CB 3.39Å; W245-Y248 PolarHBondContact O-N 3.46Å; W245-S249 PolarHBondContact O-N 3.06Å; W245-S249 PolarHBondContact O-OG 3.43Å; W245-T260 WeakPolarHBondContact CZ3-OG1 3.47Å
246R84.8Confident81.8Confident92 Ų9265.3 Ų65.335%0.34736%0.359SS..Hα-helixtrans-60.1-42.2176-73.5172-177.8128.32.5111.5Q242 S249 T250Q242-R246 WeakPolarHBondContact O-CB 3.34Å; Q242-R246 VanDerWaalsContact O-CG 3.22Å; Q242-R246 WeakPolarHBondContact O-CG 3.21Å; Q242-R246 PolarHBondContact O-N 2.99Å; R246-S249 WeakPolarHBondContact CA-OG 3.24Å; R246-S249 PolarHBondContact O-N 3.41Å; R246-S249 PolarHBondContact O-OG 3.06Å; R246-T250 PolarHBondContact O-N 3.49Å; R246-T250 PolarHBondContact O-OG1 3.11Å
247L86.1Confident80.9Confident36 Ų3665.4 Ų65.419%0.18836%0.358CS..Hα-helixtrans-62.4-44.7174.2176.158.6000112.2A243 A244 W245 S249 T250 R434 I435 F438A243-L247 WeakPolarHBondContact O-CB 3.29Å; A243-L247 PolarHBondContact O-N 2.75Å; A244-L247 PolarHBondContact O-N 3.32Å; W245-L247 VanDerWaalsContact C-N 3.32Å; W245-L247 PolarHBondContact O-N 3.48Å; L247-S249 VanDerWaalsContact C-N 3.33Å; L247-S249 PolarHBondContact O-N 3.2Å; L247-T250 PolarHBondContact O-N 2.85Å; L247-T250 VanDerWaalsContact O-N 3.16Å; L247-T250 PolarHBondContact O-OG1 3.33Å; L247-R434 HydrophobicContact CD1-CB 4.24Å; L247-I435 HydrophobicContact CD1-CG1 3.49Å; L247-I435 VanDerWaalsContact CD1-CG1 3.49Å; L247-I435 HydrophobicContact CD2-CG1 4.34Å; L247-F438 HydrophobicContact CD2-CB 3.98Å; L247-F438 HydrophobicContact CD2-CD1 3.95Å; L247-F438 HydrophobicContact CD2-CG 3.92Å
248Y84.9Confident79.5Confident115 Ų11569.9 Ų69.945%0.45137%0.369SS..Hα-helixtrans-59.5-40.5175.7178.9-96.1000112.4A244 W245 T250 D251 R254A244-Y248 WeakPolarHBondContact O-CB 3.35Å; A244-Y248 PolarHBondContact O-N 3.34Å; W245-Y248 WeakPolarHBondContact O-CB 3.39Å; W245-Y248 PolarHBondContact O-N 3.46Å; Y248-T250 VanDerWaalsContact C-N 3.26Å; Y248-T250 PolarHBondContact O-N 3.39Å; Y248-D251 PolarHBondContact O-N 2.79Å; Y248-R254 VanDerWaalsContact OH-CZ 3.31Å; Y248-R254 PolarHBondContact OH-NH1 2.83Å
249S81.7Confident78.1Confident0 Ų071.6 Ų71.60%038%0.383CS..Hα-helixtrans-73.2-10.9177.365.80000115.1W245 R246 L247 D251 T260 W261W245-S249 PolarHBondContact O-N 3.06Å; W245-S249 PolarHBondContact O-OG 3.43Å; R246-S249 WeakPolarHBondContact CA-OG 3.24Å; R246-S249 PolarHBondContact O-N 3.41Å; R246-S249 PolarHBondContact O-OG 3.06Å; L247-S249 VanDerWaalsContact C-N 3.33Å; L247-S249 PolarHBondContact O-N 3.2Å; S249-D251 VanDerWaalsContact C-N 3.35Å; S249-T260 WeakPolarHBondContact CB-OG1 3.24Å; S249-T260 WeakPolarHBondContact OG-CB 3.29Å; S249-T260 WeakPolarHBondContact OG-CG2 3.36Å; S249-T260 PolarHBondContact OG-OG1 3.31Å; S249-W261 PolarHBondContact O-NE1 2.95Å
250T73.7Confident77Confident3 Ų369.7 Ų69.72%0.01837%0.369CS..THydrogen-bonded Turntrans-93.415174.851.30000113.9R246 L247 Y248 T260 W261 R434R246-T250 PolarHBondContact O-N 3.49Å; R246-T250 PolarHBondContact O-OG1 3.11Å; L247-T250 PolarHBondContact O-N 2.85Å; L247-T250 VanDerWaalsContact O-N 3.16Å; L247-T250 PolarHBondContact O-OG1 3.33Å; Y248-T250 VanDerWaalsContact C-N 3.26Å; Y248-T250 PolarHBondContact O-N 3.39Å; T250-T260 HydrophobicContact CG2-CG2 4.43Å; T250-W261 HydrophobicContact CG2-CH2 4.28Å; T250-W261 HydrophobicContact CG2-CZ2 3.96Å; T250-R434 HydrophobicContact CG2-CG 4.17Å
251D76.6Confident75.7Confident46 Ų4669.8 Ų69.825%0.24637%0.367CS..  trans-82122.3176.7-164.321000111.6Y248 S249 A253 R254 R431Y248-D251 PolarHBondContact O-N 2.79Å; S249-D251 VanDerWaalsContact C-N 3.35Å; D251-A253 PolarHBondContact O-N 3.2Å; D251-A253 VanDerWaalsContact O-N 3.14Å; D251-R254 PolarHBondContact O-N 3.11Å; D251-R254 VanDerWaalsContact O-N 3.08Å; D251-R431 IonicContact OD1-CZ 2.71Å; D251-R431 IonicContact OD1-NH1 3.18Å; D251-R431 IonicContact OD1-NH2 3.86Å; D251-R431 PolarHBondContact OD1-NH2 3.21Å
252G64.9Low74.3Confident67 Ų6768.6 Ų68.669%0.69136%0.359SS*.THydrogen-bonded Turntrans-63.5-21.1-174.300000114.4R254G252-R254 PolarHBondContact O-N 3.5Å
253A68.4Low73.1Confident85 Ų8569.6 Ų69.670%0.70236%0.363SS*.THydrogen-bonded Turntrans-73.3-1.4175.200000114.2D251D251-A253 PolarHBondContact O-N 3.2Å; D251-A253 VanDerWaalsContact O-N 3.14Å
254R69Low71.9Confident83 Ų8370.6 Ų70.631%0.31336%0.364SS..  trans-128.569.4-174.3-60.8-178.5-176.1-90.1-5.5112.1Y248 D251 G252 Y256 L257Y248-R254 VanDerWaalsContact OH-CZ 3.31Å; Y248-R254 PolarHBondContact OH-NH1 2.83Å; D251-R254 PolarHBondContact O-N 3.11Å; D251-R254 VanDerWaalsContact O-N 3.08Å; G252-R254 PolarHBondContact O-N 3.5Å; R254-Y256 HydrophobicContact CB-CD1 4.23Å; R254-Y256 HydrophobicContact CB-CE1 3.7Å; R254-Y256 HydrophobicContact CG-CE1 4.01Å; R254-Y256 PolarHBondContact NH1-OH 3.45Å; R254-Y256 PolarHBondContact O-N 2.96Å; R254-L257 HydrophobicContact CB-CD1 3.61Å; R254-L257 HydrophobicContact CG-CD1 4.48Å; R254-L257 PolarHBondContact O-N 3.15Å
255P62.5Low70.4Confident102 Ų10271.7 Ų71.766%0.66236%0.363SS*.THydrogen-bonded Turntrans-64.4-12.6-174.126.3-35.7000114.9R258P255-R258 WeakPolarHBondContact O-CG 3.35Å
256Y60.8Low69Low155 Ų15569.7 Ų69.761%0.60837%0.37SS*.THydrogen-bonded Turntrans-75.8-16.3179.763.1-87.3000114.3R254 R258R254-Y256 HydrophobicContact CB-CD1 4.23Å; R254-Y256 HydrophobicContact CB-CE1 3.7Å; R254-Y256 HydrophobicContact CG-CE1 4.01Å; R254-Y256 PolarHBondContact NH1-OH 3.45Å; R254-Y256 PolarHBondContact O-N 2.96Å; Y256-R258 VanDerWaalsContact C-N 3.26Å; Y256-R258 PolarHBondContact O-N 3.31Å
257L67.7Low67.7Low27 Ų2768.8 Ų68.814%0.14138%0.382CS..  trans-85.753.3178.1-68.3102.4000113.1R254 A259R254-L257 HydrophobicContact CB-CD1 3.61Å; R254-L257 HydrophobicContact CG-CD1 4.48Å; R254-L257 PolarHBondContact O-N 3.15Å; L257-A259 VanDerWaalsContact C-N 3.3Å; L257-A259 PolarHBondContact O-N 3Å
258R61.6Low66.2Low123 Ų12369.4 Ų69.446%0.46439%0.385SS..Hα-helixtrans-62.1-29.8-175.8-65.3-176171.9-172.2-5114.3P255 Y256 T260 W261 H262 V419P255-R258 WeakPolarHBondContact O-CG 3.35Å; Y256-R258 VanDerWaalsContact C-N 3.26Å; Y256-R258 PolarHBondContact O-N 3.31Å; R258-T260 VanDerWaalsContact C-N 3.34Å; R258-T260 PolarHBondContact O-N 2.99Å; R258-W261 WeakPolarHBondContact O-CB 3.39Å; R258-W261 PolarHBondContact O-N 2.85Å; R258-H262 PolarHBondContact O-CD2 3.22Å; R258-H262 VanDerWaalsContact O-CD2 3.3Å; R258-H262 PolarHBondContact O-N 3.17Å; R258-V419 HydrophobicContact CG-CG2 4.26Å
259A62.3Low64.6Low78 Ų7867 Ų6765%0.64538%0.384SS*.Hα-helixtrans-56.3-37.4-174.400000115L257 W261L257-A259 VanDerWaalsContact C-N 3.3Å; L257-A259 PolarHBondContact O-N 3Å; A259-W261 VanDerWaalsContact C-N 3.32Å
260T65Low62.9Low11 Ų1170 Ų707%0.06741%0.405CS..Hα-helixtrans-72.5-28.2177.6-55.20000112.3W245 S249 T250 R258 Y264W245-T260 WeakPolarHBondContact CZ3-OG1 3.47Å; S249-T260 WeakPolarHBondContact CB-OG1 3.24Å; S249-T260 WeakPolarHBondContact OG-CB 3.29Å; S249-T260 WeakPolarHBondContact OG-CG2 3.36Å; S249-T260 PolarHBondContact OG-OG1 3.31Å; T250-T260 HydrophobicContact CG2-CG2 4.43Å; R258-T260 VanDerWaalsContact C-N 3.34Å; R258-T260 PolarHBondContact O-N 2.99Å; T260-Y264 WeakPolarHBondContact O-CD2 3.36Å
261W66.6Low61.5Low33 Ų3374.6 Ų74.613%0.12542%0.424CS..Hα-helixtrans-79.1-34.8178.7-65.5100.1000111.9S249 T250 R258 A259 H263 Y264 Q265 L422 K427 I430S249-W261 PolarHBondContact O-NE1 2.95Å; T250-W261 HydrophobicContact CG2-CH2 4.28Å; T250-W261 HydrophobicContact CG2-CZ2 3.96Å; R258-W261 WeakPolarHBondContact O-CB 3.39Å; R258-W261 PolarHBondContact O-N 2.85Å; A259-W261 VanDerWaalsContact C-N 3.32Å; W261-H263 VanDerWaalsContact C-N 3.3Å; W261-H263 PolarHBondContact O-N 2.91Å; W261-Y264 WeakPolarHBondContact O-CA 3.46Å; W261-Y264 WeakPolarHBondContact O-CB 2.79Å; W261-Y264 PolarHBondContact O-N 3.45Å; W261-Q265 PolarHBondContact O-N 3.28Å; W261-L422 HydrophobicContact CE3-CD2 4.28Å; W261-L422 HydrophobicContact CZ3-CD2 4.3Å; W261-K427 HydrophobicContact CH2-CB 4.1Å; W261-K427 HydrophobicContact CH2-CG 4.09Å; W261-K427 HydrophobicContact CZ3-CB 4.35Å; W261-K427 HydrophobicContact CZ3-CG 3.99Å; W261-I430 HydrophobicContact CH2-CG2 4.23Å; W261-I430 HydrophobicContact CZ3-CB 4.23Å; W261-I430 HydrophobicContact CZ3-CD1 4.03Å; W261-I430 HydrophobicContact CZ3-CG2 3.88Å
262H64.8Low60.3Low94 Ų9477.5 Ų77.544%0.43544%0.444SS..Hα-helixtrans-57.7-39.1173.6-73.8-60.9000113.2R258 Y264 Q265 S266R258-H262 PolarHBondContact O-CD2 3.22Å; R258-H262 VanDerWaalsContact O-CD2 3.3Å; R258-H262 PolarHBondContact O-N 3.17Å; H262-Y264 PolarHBondContact O-N 3.09Å; H262-Q265 PolarHBondContact ND1-OE1 3.33Å; H262-Q265 WeakPolarHBondContact O-CB 3.4Å; H262-Q265 PolarHBondContact O-N 2.9Å; H262-S266 PolarHBondContact O-N 3.4Å; H262-S266 PolarHBondContact O-OG 3.03Å
263H64.4Low59.6Low117 Ų11776.9 Ų76.954%0.54242%0.423SS..Hα-helixtrans-62.2-31.8174.9172.558.5000113.2W261 S266 A267W261-H263 VanDerWaalsContact C-N 3.3Å; W261-H263 PolarHBondContact O-N 2.91Å; H263-S266 WeakPolarHBondContact CA-OG 3.49Å; H263-S266 PolarHBondContact O-OG 2.85Å; H263-A267 WeakPolarHBondContact O-CB 3.25Å
264Y63.2Low58.6Low37 Ų3775.9 Ų75.915%0.14541%0.406CS..Hα-helixtrans-77.6-40.4173.1-80.8-66.8000111.8T260 W261 H262 S266 A267 L268 I430 R434T260-Y264 WeakPolarHBondContact O-CD2 3.36Å; W261-Y264 WeakPolarHBondContact O-CA 3.46Å; W261-Y264 WeakPolarHBondContact O-CB 2.79Å; W261-Y264 PolarHBondContact O-N 3.45Å; H262-Y264 PolarHBondContact O-N 3.09Å; Y264-S266 VanDerWaalsContact C-N 3.28Å; Y264-S266 PolarHBondContact O-N 2.91Å; Y264-A267 CarbonylContact O-C 3.42Å; Y264-A267 WeakPolarHBondContact O-CA 3.44Å; Y264-A267 PolarHBondContact O-N 3.38Å; Y264-L268 WeakPolarHBondContact O-CD1 3.34Å; Y264-L268 PolarHBondContact O-N 3.03Å; Y264-I430 HydrophobicContact CD2-CG2 3.93Å; Y264-I430 HydrophobicContact CE1-CG2 4.23Å; Y264-I430 HydrophobicContact CE2-CG2 3.51Å; Y264-I430 HydrophobicContact CG-CD1 4.47Å; Y264-I430 HydrophobicContact CG-CG2 4.41Å; Y264-R434 VanDerWaalsContact CZ-NH2 3.25Å; Y264-R434 PolarHBondContact OH-NE 2.99Å; Y264-R434 PolarHBondContact OH-NH2 3.48Å; Y264-R434 VanDerWaalsContact OH-NH2 3.15Å
265Q59.6Low57.9Low63 Ų6376.7 Ų76.729%0.29442%0.415SS..Hα-helixtrans-58.7-39.4175.8-168.41774.200111.7W261 H262 A267 I417W261-Q265 PolarHBondContact O-N 3.28Å; H262-Q265 PolarHBondContact ND1-OE1 3.33Å; H262-Q265 WeakPolarHBondContact O-CB 3.4Å; H262-Q265 PolarHBondContact O-N 2.9Å; Q265-A267 PolarHBondContact O-N 3.04Å; Q265-I417 PolarHBondContact NE2-O 2.84Å
266S60.4Low57.2Low97 Ų9774.7 Ų74.768%0.67840%0.404SS*.THydrogen-bonded Turntrans-73-9.2173.159.80000114.9H262 H263 Y264H262-S266 PolarHBondContact O-N 3.4Å; H262-S266 PolarHBondContact O-OG 3.03Å; H263-S266 WeakPolarHBondContact CA-OG 3.49Å; H263-S266 PolarHBondContact O-OG 2.85Å; Y264-S266 VanDerWaalsContact C-N 3.28Å; Y264-S266 PolarHBondContact O-N 2.91Å
267A57.7Low56.7Low73 Ų7372.4 Ų72.460%0.60340%0.401SS*.THydrogen-bonded Turntrans-115.83.6-17800000112.8H263 Y264 Q265H263-A267 WeakPolarHBondContact O-CB 3.25Å; Y264-A267 CarbonylContact O-C 3.42Å; Y264-A267 WeakPolarHBondContact O-CA 3.44Å; Y264-A267 PolarHBondContact O-N 3.38Å; Q265-A267 PolarHBondContact O-N 3.04Å
268L54.7Low55.9Low48 Ų4876.3 Ų76.325%0.25142%0.422SS..SBendtrans-104.9132.2174.6-92.6146.2000108Y264 L274 L422 L426 I430Y264-L268 WeakPolarHBondContact O-CD1 3.34Å; Y264-L268 PolarHBondContact O-N 3.03Å; L268-L274 HydrophobicContact CD2-CD1 4.02Å; L268-L422 HydrophobicContact CD1-CD1 3.95Å; L268-L426 HydrophobicContact CD1-CD2 4.34Å; L268-L426 HydrophobicContact CD2-CD2 3.92Å; L268-I430 HydrophobicContact CD1-CD1 4.45Å
269P51.3Low55.3Low66 Ų6676.9 Ų76.943%0.42943%0.43SS..  trans-63.5163.9172.826.3-33.1000111.3E273P269-E273 HydrophobicContact CB-CB 4.5Å; P269-E273 WeakPolarHBondContact CB-OE2 3.01Å
270S46Very low54.6Low63 Ų6380.1 Ų80.144%0.44143%0.431SS..  trans-59.4151.9-175.968.90000111.9T272 E273S270-T272 PolarHBondContact O-N 2.69Å; S270-T272 PolarHBondContact OG-OG1 2.8Å; S270-E273 PolarHBondContact O-N 2.99Å; S270-E273 VanDerWaalsContact O-N 3.1Å
271K44.7Very low53.8Low99 Ų9985.3 Ų85.343%0.4346%0.457SS..Hα-helixtrans-52.3-31.9-176-124.3-178.7178.1-171.60112.6L274 I275 D421K271-L274 PolarHBondContact O-N 3.14Å; K271-I275 WeakPolarHBondContact O-CG1 3.21Å; K271-I275 PolarHBondContact O-N 3.5Å; K271-I275 VanDerWaalsContact O-N 3.1Å; K271-D421 WeakPolarHBondContact CE-O 3.4Å; K271-D421 WeakPolarHBondContact CE-OD2 3.27Å; K271-D421 IonicContact NZ-OD1 2.66Å; K271-D421 PolarHBondContact NZ-OD1 2.96Å; K271-D421 IonicContact NZ-OD2 2.67Å; K271-D421 PolarHBondContact NZ-OD2 3.2Å
272T49.9Very low52.7Low107 Ų10791.4 Ų91.466%0.65649%0.485SS*.Hα-helixtrans-62.2-43.1-179.9-8.90000113.2S270 S276S270-T272 PolarHBondContact O-N 2.69Å; S270-T272 PolarHBondContact OG-OG1 2.8Å; T272-S276 PolarHBondContact O-N 2.89Å
273E50.4Low51.6Low54 Ų5489.1 Ų89.125%0.25249%0.487SS..Hα-helixtrans-71.2-34.4176.6-68.4-172.9174.500112.3P269 S270 I275 S276 L277 Y536P269-E273 HydrophobicContact CB-CB 4.5Å; P269-E273 WeakPolarHBondContact CB-OE2 3.01Å; S270-E273 PolarHBondContact O-N 2.99Å; S270-E273 VanDerWaalsContact O-N 3.1Å; E273-I275 VanDerWaalsContact C-N 3.32Å; E273-I275 PolarHBondContact O-N 2.88Å; E273-S276 PolarHBondContact O-N 2.95Å; E273-S276 PolarHBondContact O-OG 2.91Å; E273-S276 VanDerWaalsContact O-OG 3.1Å; E273-L277 PolarHBondContact O-N 2.84Å; E273-Y536 WeakPolarHBondContact OE1-CE1 3.5Å
274L49Very low50.6Low64 Ų6492.6 Ų92.634%0.33550%0.5SS..Hα-helixtrans-71.1-30.7-179.5-131.8164000111.7L268 K271 L278 L426L268-L274 HydrophobicContact CD2-CD1 4.02Å; K271-L274 PolarHBondContact O-N 3.14Å; L274-L278 HydrophobicContact CD2-CD1 4.41Å; L274-L278 PolarHBondContact O-N 3.38Å; L274-L426 HydrophobicContact CD1-CD2 4.45Å
275I53.2Low49.4Very low100 Ų10099.1 Ų99.151%0.51353%0.529SS..Hα-helixtrans-70.4-45.9171.2-68.1165.1000110.5K271 E273 L277 L278 E279K271-I275 WeakPolarHBondContact O-CG1 3.21Å; K271-I275 PolarHBondContact O-N 3.5Å; K271-I275 VanDerWaalsContact O-N 3.1Å; E273-I275 VanDerWaalsContact C-N 3.32Å; E273-I275 PolarHBondContact O-N 2.88Å; I275-L277 VanDerWaalsContact C-N 3.32Å; I275-L277 PolarHBondContact O-N 2.74Å; I275-L278 WeakPolarHBondContact O-CB 3.27Å; I275-L278 PolarHBondContact O-N 3.3Å; I275-L278 VanDerWaalsContact O-N 3.08Å; I275-E279 PolarHBondContact O-N 2.92Å
276S48.6Very low48.3Very low60 Ų60103.3 Ų103.342%0.4255%0.553SS.*Hα-helixtrans-65-33.7179.979.60000113T272 E273 E279 H280T272-S276 PolarHBondContact O-N 2.89Å; E273-S276 PolarHBondContact O-N 2.95Å; E273-S276 PolarHBondContact O-OG 2.91Å; E273-S276 VanDerWaalsContact O-OG 3.1Å; S276-E279 PolarHBondContact O-N 3.41Å; S276-H280 WeakPolarHBondContact O-CB 3.47Å; S276-H280 PolarHBondContact O-N 3.47Å
277L50.2Low47.2Very low107 Ų107102 Ų10256%0.5656%0.555SS**Hα-helixtrans-66-39.5170.7-79.6171.5000112.7E273 I275 H280 I281E273-L277 PolarHBondContact O-N 2.84Å; I275-L277 VanDerWaalsContact C-N 3.32Å; I275-L277 PolarHBondContact O-N 2.74Å; L277-H280 PolarHBondContact O-N 3.46Å; L277-I281 VanDerWaalsContact O-CG1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.01Å
278L50.1Low46.1Very low109 Ų109106 Ų10657%0.57157%0.566SS**Hα-helixtrans-67.5-38.6175.5-95.7161.6000112L274 I275 I281 K282L274-L278 HydrophobicContact CD2-CD1 4.41Å; L274-L278 PolarHBondContact O-N 3.38Å; I275-L278 WeakPolarHBondContact O-CB 3.27Å; I275-L278 PolarHBondContact O-N 3.3Å; I275-L278 VanDerWaalsContact O-N 3.08Å; L278-I281 PolarHBondContact O-N 3.23Å; L278-K282 WeakPolarHBondContact O-CB 3.36Å; L278-K282 PolarHBondContact O-N 3.27Å
279E49.3Very low45Very low135 Ų135113 Ų11363%0.63159%0.594SS**Hα-helixtrans-67.2-40.5172.4-68.5-150.2131.800112.4I275 S276 I281 K282 G283I275-E279 PolarHBondContact O-N 2.92Å; S276-E279 PolarHBondContact O-N 3.41Å; E279-I281 VanDerWaalsContact C-N 3.29Å; E279-I281 PolarHBondContact O-N 2.86Å; E279-K282 CarbonylContact O-C 3.49Å; E279-K282 WeakPolarHBondContact O-CA 3.36Å; E279-K282 WeakPolarHBondContact O-CB 3.22Å; E279-K282 PolarHBondContact O-N 3.08Å; E279-G283 PolarHBondContact O-N 3.31Å
280H47Very low44.1Very low146 Ų146115.6 Ų115.668%0.67661%0.611SS**Hα-helixtrans-58.6-39.2173.1-106.182.9000112.7S276 L277 K282 K284S276-H280 WeakPolarHBondContact O-CB 3.47Å; S276-H280 PolarHBondContact O-N 3.47Å; L277-H280 PolarHBondContact O-N 3.46Å; H280-K282 VanDerWaalsContact C-N 3.34Å; H280-K284 PolarHBondContact O-N 3.22Å
281I49.1Very low43.2Very low120 Ų120120.6 Ų120.662%0.61563%0.632SS**Hα-helixtrans-69.5-33.2174.9-69.2166.2000111.3L277 L278 E279L277-I281 VanDerWaalsContact O-CG1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.01Å; L278-I281 PolarHBondContact O-N 3.23Å; E279-I281 VanDerWaalsContact C-N 3.29Å; E279-I281 PolarHBondContact O-N 2.86Å
282K43.7Very low42.4Very low161 Ų161119.6 Ų119.670%0.765%0.65SS**Hα-helixtrans-73.7-42.9177.7-150.4177.2-176.5-1720111.8L278 E279 H280 K284 K285L278-K282 WeakPolarHBondContact O-CB 3.36Å; L278-K282 PolarHBondContact O-N 3.27Å; E279-K282 CarbonylContact O-C 3.49Å; E279-K282 WeakPolarHBondContact O-CA 3.36Å; E279-K282 WeakPolarHBondContact O-CB 3.22Å; E279-K282 PolarHBondContact O-N 3.08Å; H280-K282 VanDerWaalsContact C-N 3.34Å; K282-K284 VanDerWaalsContact C-N 3.31Å; K282-K284 PolarHBondContact O-N 2.78Å; K282-K285 PolarHBondContact O-N 2.96Å
283G41.1Very low41.4Very low46 Ų46122.3 Ų122.347%0.47466%0.659SS.*Hα-helixtrans-62.1-34.8176.300000113.2E279 K285 N286E279-G283 PolarHBondContact O-N 3.31Å; G283-K285 PolarHBondContact O-N 3.32Å; G283-K285 VanDerWaalsContact O-N 3.14Å; G283-N286 PolarHBondContact O-N 3.18Å
284K42.9Very low40.2Very low190 Ų190131.6 Ų131.683%0.82669%0.692SS**G310 helixtrans-66.9-9.7176.5-118174.5-177.5172.50115.1H280 K282H280-K284 PolarHBondContact O-N 3.22Å; K282-K284 VanDerWaalsContact C-N 3.31Å; K282-K284 PolarHBondContact O-N 2.78Å
285K39.3Very low39.1Very low174 Ų174138.3 Ų138.376%0.75772%0.718SS**G310 helixtrans-82-14.7174.7-95.5-176.3172-177.50114.5K282 G283 G287K282-K285 PolarHBondContact O-N 2.96Å; G283-K285 PolarHBondContact O-N 3.32Å; G283-K285 VanDerWaalsContact O-N 3.14Å; K285-G287 VanDerWaalsContact C-N 3.25Å; K285-G287 PolarHBondContact O-N 3.4Å
286N36.7Very low37.9Very low150 Ų150138.3 Ų138.380%0.80273%0.733SS**G310 helixtrans-833-175.3-66.90.7000113.9G283G283-N286 PolarHBondContact O-N 3.18Å
287G36.9Very low36.7Very low69 Ų69140.8 Ų140.871%0.71175%0.75SS**G310 helixtrans-102.42.9-175.700000116.6K285K285-G287 VanDerWaalsContact C-N 3.25Å; K285-G287 PolarHBondContact O-N 3.4Å
288L33.1Very low35.5Very low158 Ų158144 Ų14483%0.82777%0.767SS**  trans-114.4114.5-177.7-123.572.5000111.6
289K31.6Very low34.4Very low194 Ų194143.9 Ų143.984%0.84378%0.775SS**PPolyproline II helixtrans-60.5133.3171.2-69.2-178178-179.80109.6L291K289-L291 PolarHBondContact O-N 3.37Å
290P32.7Very low33.2Very low122 Ų122144.3 Ų144.379%0.79279%0.787SS**PPolyproline II helixtrans-73.3125.1177.728.9-32.7000110.6G292P290-G292 PolarHBondContact O-N 2.94Å
291L28.1Very low32.2Very low167 Ų167141 Ų14187%0.87479%0.793SS**PPolyproline II helixtrans-66127.5163.6-109.776.6000108.7K289 I293K289-L291 PolarHBondContact O-N 3.37Å; L291-I293 PolarHBondContact O-N 2.98Å
292G26.5Very low31.1Very low79 Ų79144.5 Ų144.581%0.81481%0.807SS**PPolyproline II helixtrans-68.1125.8-175.100000112.9P290P290-G292 PolarHBondContact O-N 2.94Å
293I30.1Very low31.1Very low164 Ų164142.1 Ų142.184%0.84181%0.808SS**  trans-110.3119.6160.1-62.6178.8000106.7L291 K295L291-I293 PolarHBondContact O-N 2.98Å; I293-K295 PolarHBondContact O-N 2.9Å
294R25.8Very low30.3Very low249 Ų249145.7 Ų145.794%0.9483%0.825SS**  trans-59.6128.4-178.4-61.7179.1-177.3-170.3-0.1109.9
295K25.7Very low29.5Very low204 Ų204141 Ų14189%0.88782%0.822SS**  trans-106.3121.8158.5-79.8-172.2173.4-1760108.4I293I293-K295 PolarHBondContact O-N 2.9Å
296A27.4Very low28.8Very low101 Ų101143.5 Ų143.584%0.83583%0.828SS**  trans-69.4147.6165.200000109.7
297S23.3Very low29.1Very low111 Ų111142 Ų14278%0.77683%0.826SS**  trans-72.2144.3179.149.30000112.9
298L25.8Very low29.2Very low176 Ų176143.4 Ų143.492%0.92182%0.823SS**  trans-147.3151.8142.3-14967.9000110.7
299S25.5Very low28.9Very low106 Ų106143.8 Ų143.874%0.74183%0.825SS**  trans-88.9167.4-160.348.80000115.7
300T25.1Very low28.5Very low143 Ų143138.9 Ų138.988%0.87782%0.815SS**  trans-46.9144.5169.742.20000116
301G25Very low28.1Very low78 Ų78138.3 Ų138.380%0.80481%0.814SS**  trans-162.4135.4163.600000110.4
302H26.5Very low28.1Very low193 Ų193136.5 Ų136.589%0.89481%0.809SS**  trans-93-173-173.1-122.4-40.9000111.5
303P44.4Very low28.1Very low111 Ų111137 Ų13772%0.72181%0.806SS**  trans-108.1175.1-146.539.9-23.6000113.9
304S23.5Very low27.9Very low120 Ų120140.6 Ų140.684%0.83981%0.809SS**  trans168.1163.1134.4-165.90000113.2
305A26.1Very low28.1Very low92 Ų92135.1 Ų135.176%0.7681%0.806SS**  trans75.6129.8152.500000122.4
306Y24.3Very low28Very low227 Ų227133.3 Ų133.389%0.8981%0.805SS**  trans-95-174162-61.9-91.6000110.1
307P43.1Very low28Very low118 Ų118133.5 Ų133.577%0.76680%0.8SS**  cis-117.2-120.1-32.627.4-3.9000108.2
308P39.6Very low28Very low98 Ų98136 Ų13664%0.63680%0.8SS**  cis-128.9169.2-42.238.4-22.7000116
309L25.8Very low28.2Very low167 Ų167137.5 Ų137.587%0.87480%0.799SS**  trans64.5155.4158-97.274.2000117.8
310S23.3Very low28.3Very low90 Ų90140.2 Ų140.263%0.62980%0.804SS**  cis-164.2161.81.251.30000112.3
311S24.2Very low28.4Very low110 Ų110138.2 Ų138.277%0.76980%0.796SS**  trans66.1155.9157.777.90000117.5
312V28.6Very low28.7Very low129 Ų129144.8 Ų144.878%0.78280%0.803SS**  cis-144.1145.420.7172.40000111.7
313A26Very low29.1Very low90 Ų90145 Ų14574%0.74480%0.801SS**  trans42.1132.115500000124.2
314R27.3Very low28.5Very low239 Ų239148.5 Ų148.590%0.90281%0.808SS**  trans-80.5160.1142.9-66.7176.5174.3170-1.3109.4
315P29.6Very low29.2Very low134 Ų134154.3 Ų154.387%0.8781%0.811SS**  -138.1177.610936.3-24.4000115.4
316L23.6Very low29.5Very low166 Ų166157 Ų15787%0.86982%0.818SS**  trans-102.4159.2-169.2-175.975.2000112.1
317S27.2Very low29.7Very low105 Ų105156.9 Ų156.973%0.73482%0.816SS**  trans80.3135.5162.4-1430000114.8
318Q24.1Very low28.9Very low164 Ų164159.7 Ų159.777%0.76682%0.821SS**  -154.2157.851.6-74.2176.6-13.100113.5
319K29Very low28.3Very low208 Ų208160 Ų16090%0.90483%0.831SS**  trans-78.1131.4163.8-75.8172.7175.6168.60110.1
320L28.1Very low28.3Very low162 Ų162157.1 Ų157.185%0.84883%0.825SS**  trans-124.5171.3163.8-87.6169.7000112.4
321S27Very low28.6Very low101 Ų101159.2 Ų159.271%0.70684%0.837SS**  trans-101.8167.3-133.8-166.60000116.4K323S321-K323 PolarHBondContact O-N 2.89Å
322F31.1Very low28.8Very low217 Ų217165.6 Ų165.695%0.95284%0.844SS**SBendtrans-68.124.8-176.3-173.5-104.3000115.1
323K34.5Very low28.7Very low197 Ų197163.1 Ų163.186%0.85784%0.844SS**  trans-120.628.3-169.1-153.5-171.5171.2-176.30114.6S321S321-K323 PolarHBondContact O-N 2.89Å
324E32.9Very low28.7Very low184 Ų184168.5 Ų168.586%0.8685%0.854SS**  trans-143.844.1-173.5-152.3150.7-13200114.7
325R36.9Very low28.6Very low243 Ų243162.1 Ų162.192%0.91785%0.846SS**SBendtrans-144.734.6171.2-148.6-175.3-72.3-170.4-3.5115.7
326V32.9Very low28.5Very low147 Ų147164.9 Ų164.989%0.89185%0.85SS**  trans-142.181.4165.3-172.20000110.3
327R29.9Very low28.6Very low225 Ų225166.6 Ų166.685%0.84985%0.85SS**  trans-156.4153.4156.8-159.5168.6-82.2168.8-8.4108.4
328M25.6Very low28.5Very low178 Ų178167.3 Ų167.388%0.87786%0.855SS**  trans72.2130.6-167.8-39.3-44.1-173.800113.4
329A25.9Very low28.6Very low103 Ų103169.6 Ų169.685%0.85186%0.856SS**  cis-135.4151.82.900000112.1
330S26.1Very low28.4Very low108 Ų108167.1 Ų167.176%0.75585%0.848SS**  trans-134.6125.9169.6176.90000107.5R332S330-R332 PolarHBondContact O-N 3.39Å
331P31Very low28.3Very low133 Ų133165.8 Ų165.886%0.86485%0.847SS**  trans-81.2114.51720.717.1000109.2
332R27.5Very low28.2Very low245 Ų245165.1 Ų165.193%0.92584%0.842SS**  trans-94.2132.1165-159.4174.1-175178.9-0.2107.5S330S330-R332 PolarHBondContact O-N 3.39Å
333G26.1Very low28Very low76 Ų76162 Ų16278%0.78483%0.834SS**  trans-57.2156.6-170.300000116.6
334Q27.1Very low27.6Very low204 Ų204159.5 Ų159.595%0.95383%0.83SS**  trans-106.5143.5162.1-78.7-177.7-19.400109.4
335S24.1Very low27.2Very low104 Ų104157.2 Ų157.273%0.72782%0.824SS**  trans-106.1132.3-178154.80000109.2
336M27.2Very low26.7Very low193 Ų193157.8 Ų157.895%0.95183%0.826SS**  trans-128.3138.7160.8-73.3-66-87.300108.7
337K26.7Very low26.4Very low201 Ų201158.5 Ų158.587%0.87482%0.82SS**  trans-138.3113.2-164.5-173.4-174.9-174.7-175.60110.5
338S23.9Very low26.2Very low120 Ų120158.3 Ų158.384%0.83982%0.819SS**  trans177.2145.3172.7178.60000108.4
339R26.9Very low26.2Very low212 Ų212155.7 Ų155.780%0.882%0.816SS**  cis-164.5120-23.8173.6178.4-173-165.35.5108.3
340Q25.2Very low26.5Very low156 Ų156156.4 Ų156.473%0.72982%0.816SS**  trans44.9118.2143.4-161.1171.311.500122.6
341T26.2Very low26.8Very low134 Ų134157.6 Ų157.682%0.82282%0.82SS**  trans155.6156.7139.2450000109.1
342S24.4Very low26.6Very low88 Ų88154.3 Ų154.362%0.61581%0.811SS**  cis-172.2139.2-3451.40000109.2
343I26.8Very low26.7Very low151 Ų151149.3 Ų149.377%0.77480%0.803SS**  trans63.6123.9153.9-59160.8000115.9
344N25.6Very low26.7Very low145 Ų145153 Ų15378%0.77580%0.8SS**  -171167.166.6-144.7-8.1000114.1
345D25.8Very low26.8Very low135 Ų135149.3 Ų149.372%0.72279%0.79SS**  trans-73.4156.5-177.9-67.9-74.2000116.6
346R25.5Very low26.9Very low255 Ų255151.2 Ų151.296%0.96280%0.797SS**  -168162.4112.2-103.6173.8-177-167.70.8114.5
347Q26.4Very low26.7Very low163 Ų163144.9 Ų144.976%0.76278%0.782SS**  trans-138.6170.5-150.9-173.3-178.41.100111.3
348R26.6Very low26.6Very low220 Ų220141.6 Ų141.683%0.8378%0.784SS**  trans90.9123.6171.5-55.1-177.8-179.5-167.1-1.5114.1
349C25.4Very low26.7Very low123 Ų123140.9 Ų140.983%0.83178%0.779SS**  cis88.2126.746.2-67.20000113.3
350S32.3Very low26.6Very low119 Ų119139.1 Ų139.183%0.83278%0.78SS**  trans-71.9167.9178.1-40.30000113.4
351P33Very low26.7Very low132 Ų132139.8 Ų139.886%0.85779%0.788SS**  trans-132.6171.1131.237.2-26.6000112.7
352G26.8Very low26.8Very low65 Ų65142.6 Ų142.667%0.6779%0.794SS**  trans-141.2167.116900000111
353N29Very low26.9Very low139 Ų139142 Ų14274%0.74380%0.801SS**  trans158.7154.2169.8-96.924.4000106.6
354E25.7Very low26.9Very low155 Ų155138.6 Ų138.672%0.72480%0.803SS**  cis-167.5-175.4-9.7-118172.9-16700108.7
355V28.5Very low27Very low125 Ų125137 Ų13776%0.75880%0.804SS**  trans90.1101.2157.5-164.20000121.3
356V26.4Very low27.2Very low144 Ų144136.6 Ų136.687%0.87381%0.808SS**  34.5130.2126.7-171.70000122.2
357G23.8Very low27.3Very low60 Ų60128.3 Ų128.362%0.61979%0.794SS**  135.3114.2129.600000121.2
358S25Very low27.5Very low133 Ų133130.3 Ų130.393%0.9380%0.801SS**  trans81.1148.8138.3-53.70000123.7
359S24.4Very low27.4Very low105 Ų105126 Ų12673%0.73480%0.799SS**  trans-45.9154.9-171.6-74.10000123.3
360E25.4Very low27.3Very low174 Ų174128.6 Ų128.681%0.81380%0.798SS**  trans51112.8137.7-63.5179.9158.900121.4
361L28Very low27Very low171 Ų171132.1 Ų132.190%0.89580%0.799SS**  -164.3168.6112.5-134.369.5000113.3
362M27.1Very low26.6Very low193 Ų193130.8 Ų130.895%0.95179%0.792SS**  trans-54.8145.3-179.3-70.9-172.5172.600115.4
363G27.6Very low27Very low75 Ų75139.8 Ų139.877%0.77381%0.806SS**  trans-160.7116.9162.700000111.3
364G26.4Very low26.9Very low79 Ų79138.5 Ų138.581%0.81481%0.809SS**  trans-69.4143.2-166.800000115.8
365S27.7Very low27.1Very low113 Ų113140.2 Ų140.279%0.7981%0.814SS**  trans-69.2132168.9-173.30000111.4A367S365-A367 PolarHBondContact O-N 3.33Å; S365-A367 VanDerWaalsContact O-N 3.12Å
366P31.1Very low27.2Very low125 Ų125141.2 Ų141.281%0.81282%0.815SS**  trans-71.3106.8168.7-12.727.8000109.6K368P366-K368 PolarHBondContact O-N 3.02Å
367A27.4Very low27.3Very low81 Ų81142.1 Ų142.167%0.66982%0.815SS**  trans-60.2123.6-177.400000112.5S365 V369S365-A367 PolarHBondContact O-N 3.33Å; S365-A367 VanDerWaalsContact O-N 3.12Å; A367-V369 PolarHBondContact O-N 3.11Å
368K29.3Very low27.5Very low205 Ų205150.6 Ų150.689%0.89183%0.828SS**  15.877.4126.5-158.1178-166.1175.80114.5P366 Q370P366-K368 PolarHBondContact O-N 3.02Å; K368-Q370 PolarHBondContact O-N 3.33Å
369V24.3Very low27.9Very low131 Ų131150 Ų15079%0.79482%0.819SS**  trans-57.2111.8177.9173.10000109.8A367 K371A367-V369 PolarHBondContact O-N 3.11Å; V369-K371 PolarHBondContact O-N 2.86Å; V369-K371 VanDerWaalsContact O-N 3.13Å
370Q24.6Very low28.2Very low176 Ų176155.5 Ų155.582%0.82282%0.824SS**  trans-56.3117.3165.4-86.1170.5-9500108.3K368 S372K368-Q370 PolarHBondContact O-N 3.33Å; Q370-S372 PolarHBondContact O-N 3.49Å
371K25.5Very low28.4Very low194 Ų194156.5 Ų156.584%0.84383%0.826SS**  trans-71.182.9163.7-78.5174.7176.6166.90108.3V369 W373V369-K371 PolarHBondContact O-N 2.86Å; V369-K371 VanDerWaalsContact O-N 3.13Å; K371-W373 PolarHBondContact O-N 3.24Å; K371-W373 VanDerWaalsContact O-N 3.12Å
372S24.5Very low28.5Very low103 Ų103159.5 Ų159.572%0.7283%0.825SS**  trans-53.9116160.744.40000107.7Q370 S374Q370-S372 PolarHBondContact O-N 3.49Å; S372-S374 PolarHBondContact O-N 2.98Å
373W35.2Very low28.6Very low254 Ų254156.4 Ų156.496%0.96282%0.819SS**  trans-70.479.6168-94.560.7000107.8K371K371-W373 PolarHBondContact O-N 3.24Å; K371-W373 VanDerWaalsContact O-N 3.12Å
374S26.2Very low28.6Very low113 Ų113157.4 Ų157.479%0.7982%0.815SS**  trans-70.3130.4173.6-1710000109.7S372 N376S372-S374 PolarHBondContact O-N 2.98Å; S374-N376 PolarHBondContact O-N 2.87Å
375F29.7Very low29Very low191 Ų191161.9 Ų161.984%0.83882%0.819SS**  trans-95.683.1-159.5179-92.6000110
376N32.2Very low28.9Very low146 Ų146167.3 Ų167.378%0.78182%0.822SS**  trans-163.671.6166.5-125.81.8000115.7S374S374-N376 PolarHBondContact O-N 2.87Å
377D27.8Very low28.7Very low163 Ų163168.9 Ų168.987%0.87282%0.823SS**  trans-159.558.1154.8-140.9-14.8000113
378R28.2Very low28.5Very low238 Ų238174.4 Ų174.490%0.89883%0.832SS**  trans-126.716.8-175.9-142.8174.3-177.4176.10.5114.8
379T32.7Very low28.4Very low121 Ų121169.2 Ų169.274%0.74282%0.822SS**  trans-129.750.7-169.449.70000114.4
380R32.3Very low28.4Very low220 Ų220171.9 Ų171.983%0.8383%0.825SS**SBendtrans-147141.7144.8-144164-83.5-146.3-1.4110.6
381F29.4Very low28.3Very low194 Ų194169.3 Ų169.385%0.85182%0.822SS**  trans73.257.6-175-49.5-72000117.8
382R29.6Very low28.3Very low235 Ų235171.7 Ų171.789%0.88783%0.825SS**  -106.7120128.5-82.5-167.7174.9-156.40.9108.3S384R382-S384 PolarHBondContact O-N 3.42Å
383P28.6Very low28.5Very low127 Ų127173.2 Ų173.283%0.82583%0.831SS**  trans-73.4100.8151.430.2-26.7000106.3L385P383-L385 PolarHBondContact O-N 3.41Å
384S27.5Very low28Very low97 Ų97165.8 Ų165.868%0.67882%0.823SS**  trans-63.1113.7166.335.30000108.3R382 R386R382-S384 PolarHBondContact O-N 3.42Å; S384-R386 VanDerWaalsContact C-N 3.25Å; S384-R386 PolarHBondContact O-N 2.95Å
385L35.2Very low28.1Very low172 Ų172164.7 Ų164.790%0.90182%0.821SS**  trans-60.793.9160.2-84.5163.3000107.8P383P383-L385 PolarHBondContact O-N 3.41Å
386R26Very low28.2Very low228 Ų228161.4 Ų161.486%0.8682%0.819SS**  trans-112.385.7165-162.1169.9-168.31502.9107S384 K388S384-R386 VanDerWaalsContact C-N 3.25Å; S384-R386 PolarHBondContact O-N 2.95Å; R386-K388 PolarHBondContact O-N 3.09Å
387L26.7Very low28Very low157 Ų157162.3 Ų162.382%0.82282%0.823SS**  trans-60.2105.3168.1-14288.6000106.4S389L387-S389 VanDerWaalsContact C-N 3.32Å; L387-S389 PolarHBondContact O-N 3.14Å; L387-S389 VanDerWaalsContact O-N 3.15Å
388K23Very low28.2Very low197 Ų197160.9 Ų160.986%0.85782%0.82SS**  trans-83.288.4170.9-166.8168-177.2-179.80106.3R386 Q390R386-K388 PolarHBondContact O-N 3.09Å; K388-Q390 PolarHBondContact O-N 2.84Å; K388-Q390 VanDerWaalsContact O-N 3.08Å
389S26.3Very low28.3Very low97 Ų97157 Ų15768%0.67882%0.817SS**  trans-57.4111.6167.549.40000107.8L387 T391L387-S389 VanDerWaalsContact C-N 3.32Å; L387-S389 PolarHBondContact O-N 3.14Å; L387-S389 VanDerWaalsContact O-N 3.15Å; S389-T391 PolarHBondContact O-N 3.25Å
390Q24.7Very low28.5Very low186 Ų186157 Ų15787%0.86982%0.819SS**  trans-71.3116.2177.4-172.3164.9-6.200108.3K388 R392K388-Q390 PolarHBondContact O-N 2.84Å; K388-Q390 VanDerWaalsContact O-N 3.08Å; Q390-R392 PolarHBondContact O-N 2.85Å
391T23.5Very low28.2Very low122 Ų122150.3 Ų150.375%0.74882%0.819SS**  trans-59.5124.1177.1-43.50000109.1S389 T393S389-T391 PolarHBondContact O-N 3.25Å; T391-T393 PolarHBondContact O-N 3.5Å
392R25.9Very low28.1Very low245 Ų245149.5 Ų149.593%0.92582%0.82SS**  trans-68.5110.2164.5-83179.4163.3170.2-7.4107.8Q390Q390-R392 PolarHBondContact O-N 2.85Å
393T27.2Very low27.9Very low135 Ų135143.7 Ų143.783%0.82881%0.811SS**PPolyproline II helixtrans-70.7147.5161.234.10000109.7T391T391-T393 PolarHBondContact O-N 3.5Å
394A25.8Very low27.8Very low98 Ų98143.2 Ų143.281%0.8181%0.806SS**PPolyproline II helixtrans-70.1160.3-167.100000113.7
395A27.6Very low27.7Very low89 Ų89145.6 Ų145.674%0.73681%0.811SS**PPolyproline II helixtrans-72.8147.5161.100000109.9
396P31.6Very low27.3Very low122 Ų122145.1 Ų145.179%0.79281%0.809SS**PPolyproline II helixtrans-82.3155157.634.8-30.8000110.5
397D29.1Very low27.4Very low165 Ų165138.7 Ų138.788%0.88280%0.799SS**PPolyproline II helixtrans-73.4166.5-172.5-65.2-71.1000115
398V31.3Very low27.5Very low133 Ų133141.4 Ų141.481%0.80681%0.805SS**PPolyproline II helixtrans-86.9136.9176.3174.50000110
399D29.7Very low27.9Very low157 Ų157138.1 Ų138.184%0.8480%0.797SS**  trans-149.4149.2143.2-113.3-22.6000110.6
400P38.1Very low28Very low120 Ų120142.8 Ų142.878%0.77981%0.808SS**  trans-95.5137-165.535.5-33.3000114.1
401G26.2Very low28.2Very low80 Ų80142.4 Ų142.483%0.82580%0.803SS**  trans-150.4144.4173.100000110.7
402M26.7Very low28.3Very low178 Ų178140.2 Ų140.288%0.87781%0.805SS**  trans-100.6163.8-160.1-163.8154.861.800113.9
403T25.8Very low28.4Very low112 Ų112134 Ų13469%0.68780%0.798SS**  trans100.7111.5159.474.40000121
404T26.6Very low28.3Very low118 Ų118135.2 Ų135.272%0.72479%0.794SS**  trans63.2123.6135.756.20000121.9
405D25.1Very low28.7Very low147 Ų147135.4 Ų135.479%0.78679%0.788SS**  trans43.9121.6141.3-48-25.3000118
406D26.9Very low28.9Very low162 Ų162137.4 Ų137.487%0.86679%0.786SS**  -161.5171.169.3-130.7-36.8000115
407S28Very low29.1Very low92 Ų92135.7 Ų135.764%0.64377%0.769SS**  trans-68145.7-176-174.40000115.2
408F29.3Very low29.8Very low214 Ų214131.8 Ų131.894%0.93975%0.752SS**  trans-170.8127.7131.7-103.8-68.9000112.6
409D30.5Very low30.5Very low129 Ų129127 Ų12769%0.6972%0.723SS**  trans-87.3124.7178.9-135.6-32.7000110.3
410E29.1Very low31.4Very low194 Ų194126.7 Ų126.791%0.90772%0.716SS**  trans-137.8103.9158.6-140.4-164.215400112.9G412E410-G412 PolarHBondContact O-N 3.17Å; E410-G412 VanDerWaalsContact O-N 3.16Å
411K28.1Very low32Very low179 Ų179124.7 Ų124.778%0.77870%0.699SS**  trans-77.896.2179.7-80169.6178.2148.50111.9C413K411-C413 PolarHBondContact O-N 2.92Å
412G26.6Very low33.5Very low76 Ų76123 Ų12378%0.78467%0.671SS**  trans-60.4103161.800000111.5E410 H414E410-G412 PolarHBondContact O-N 3.17Å; E410-G412 VanDerWaalsContact O-N 3.16Å; G412-H414 PolarHBondContact O-N 2.87Å
413C26.9Very low35.3Very low115 Ų115117.8 Ų117.878%0.77765%0.652SS**  trans-74.796-175.6-170.90000112.2K411 C415K411-C413 PolarHBondContact O-N 2.92Å; C413-C415 PolarHBondContact O-N 3.35Å
414H25.5Very low37.4Very low160 Ų160116 Ų11674%0.74165%0.649SS**  trans-80.292175.2-164.4-51.8000110.9G412 D416G412-H414 PolarHBondContact O-N 2.87Å; H414-D416 IonicContact CE1-OD1 2.75Å; H414-D416 IonicContact CE1-OD2 3.85Å; H414-D416 IonicContact ND1-OD1 3.87Å; H414-D416 IonicContact ND1-OD2 3.53Å; H414-D416 PolarHBondContact O-N 3.03Å
415C34.7Very low39.6Very low102 Ų102114.5 Ų114.569%0.68964%0.641SS**  trans-92.386.1-178.1490000113.4C413 I417C413-C415 PolarHBondContact O-N 3.35Å; C415-I417 PolarHBondContact O-N 3.39Å; C415-I417 VanDerWaalsContact O-N 3.14Å
416D31.4Very low41.9Very low131 Ų131109.6 Ų109.670%0.70161%0.614SS**  trans-67.5105.3168.6-84.5-33.4000111.3H414 T418H414-D416 IonicContact CE1-OD1 2.75Å; H414-D416 IonicContact CE1-OD2 3.85Å; H414-D416 IonicContact ND1-OD1 3.87Å; H414-D416 IonicContact ND1-OD2 3.53Å; H414-D416 PolarHBondContact O-N 3.03Å; D416-T418 PolarHBondContact O-N 3.32Å; D416-T418 VanDerWaalsContact O-N 3.14Å
417I36.4Very low44.2Very low85 Ų85105 Ų10544%0.43659%0.587SS.*  trans-73.4106.4-179.4-59.1173.4000110.2Q265 C415 D421Q265-I417 PolarHBondContact NE2-O 2.84Å; C415-I417 PolarHBondContact O-N 3.39Å; C415-I417 VanDerWaalsContact O-N 3.14Å; I417-D421 HydrophobicContact CG2-CB 4.16Å
418T42.9Very low46.7Very low84 Ų84103.5 Ų103.552%0.51558%0.579SS.*  trans-77.5159.1174.264.80000112.2D416 E420 D421D416-T418 PolarHBondContact O-N 3.32Å; D416-T418 VanDerWaalsContact O-N 3.14Å; T418-E420 PolarHBondContact O-N 3.03Å; T418-D421 WeakPolarHBondContact O-CB 3.46Å; T418-D421 PolarHBondContact O-N 3.3Å
419V46.2Very low49.2Very low33 Ų3397.4 Ų97.420%0.256%0.56CS.*G310 helixtrans-62.9-15.4-173.4176.50000113.9R258 D421 K427R258-V419 HydrophobicContact CG-CG2 4.26Å; V419-D421 VanDerWaalsContact C-N 3.28Å; V419-D421 PolarHBondContact O-N 3.28Å; V419-K427 PolarHBondContact O-NZ 3.07Å
420E49.5Very low51.6Low150 Ų15091.8 Ų91.870%0.70153%0.53SS*.G310 helixtrans-72.4-25-179.7-76.4152.3-153.800112.1T418 L422 K427T418-E420 PolarHBondContact O-N 3.03Å; E420-L422 VanDerWaalsContact C-N 3.35Å; E420-L422 PolarHBondContact O-N 3.43Å; E420-K427 PolarHBondContact O-NZ 3.43Å
421D50Low54.2Low77 Ų7787.3 Ų87.341%0.41250%0.504SS..G310 helixtrans-84-4.5-164.2-138.811.2000115.4K271 I417 T418 V419 S423K271-D421 WeakPolarHBondContact CE-O 3.4Å; K271-D421 WeakPolarHBondContact CE-OD2 3.27Å; K271-D421 IonicContact NZ-OD1 2.66Å; K271-D421 PolarHBondContact NZ-OD1 2.96Å; K271-D421 IonicContact NZ-OD2 2.67Å; K271-D421 PolarHBondContact NZ-OD2 3.2Å; I417-D421 HydrophobicContact CG2-CB 4.16Å; T418-D421 WeakPolarHBondContact O-CB 3.46Å; T418-D421 PolarHBondContact O-N 3.3Å; V419-D421 VanDerWaalsContact C-N 3.28Å; V419-D421 PolarHBondContact O-N 3.28Å; D421-S423 PolarHBondContact O-N 3.06Å
422L57.8Low56.9Low45 Ų4581.5 Ų81.524%0.23649%0.49CS..SBendtrans-84.1113.8177.3-163.183.1000110.6W261 L268 E420 L426 K427 I430W261-L422 HydrophobicContact CE3-CD2 4.28Å; W261-L422 HydrophobicContact CZ3-CD2 4.3Å; L268-L422 HydrophobicContact CD1-CD1 3.95Å; E420-L422 VanDerWaalsContact C-N 3.35Å; E420-L422 PolarHBondContact O-N 3.43Å; L422-L426 HydrophobicContact CD1-CD2 3.61Å; L422-L426 HydrophobicContact CD1-CG 4.43Å; L422-L426 HydrophobicContact CD2-CD2 4.46Å; L422-L426 HydrophobicContact CD2-CG 4.43Å; L422-L426 HydrophobicContact CG-CD2 3.95Å; L422-L426 HydrophobicContact CG-CG 4.3Å; L422-K427 HydrophobicContact CD2-CG 4.05Å; L422-K427 WeakPolarHBondContact O-CD 3.31Å; L422-K427 WeakPolarHBondContact O-CE 3.4Å; L422-K427 PolarHBondContact O-NZ 3.33Å; L422-I430 HydrophobicContact CD2-CD1 3.99Å
423S64.3Low59.7Low69 Ų6980.3 Ų80.348%0.48347%0.467SS..  trans-49.4135.1-173.1-171.40000113.9D421 P425 L426 K427D421-S423 PolarHBondContact O-N 3.06Å; S423-P425 WeakPolarHBondContact OG-CD 3.34Å; S423-P425 WeakPolarHBondContact OG-CG 3.38Å; S423-L426 WeakPolarHBondContact O-CA 3.41Å; S423-L426 WeakPolarHBondContact O-CB 3.43Å; S423-L426 PolarHBondContact O-N 3.27Å; S423-K427 PolarHBondContact O-N 3.36Å; S423-K427 VanDerWaalsContact O-N 3.08Å
424A69.1Low62.5Low75 Ų7576.1 Ų76.162%0.6244%0.435SS*.Hα-helixtrans-50.3-45.6-178.400000115.1L426 K427 A428A424-L426 VanDerWaalsContact C-N 3.31Å; A424-L426 PolarHBondContact O-N 3.16Å; A424-K427 PolarHBondContact O-N 2.9Å; A424-A428 PolarHBondContact O-N 2.9Å
425P73.1Confident65.5Low85 Ų8571.7 Ų71.755%0.55242%0.416SS*.Hα-helixtrans-58.6-37.3172.120.4-34.7000113.7S423 A428 V429S423-P425 WeakPolarHBondContact OG-CD 3.34Å; S423-P425 WeakPolarHBondContact OG-CG 3.38Å; P425-A428 WeakPolarHBondContact O-CB 3.46Å; P425-A428 PolarHBondContact O-N 3.19Å; P425-V429 WeakPolarHBondContact O-CG2 3.48Å; P425-V429 PolarHBondContact O-N 3.34Å
426L74.1Confident68.1Low45 Ų4572.6 Ų72.624%0.23641%0.412CS..Hα-helixtrans-68.7-39.7178.1-177.955.8000111.4L268 L274 L422 S423 A424 A428 V429 I430L268-L426 HydrophobicContact CD1-CD2 4.34Å; L268-L426 HydrophobicContact CD2-CD2 3.92Å; L274-L426 HydrophobicContact CD1-CD2 4.45Å; L422-L426 HydrophobicContact CD1-CD2 3.61Å; L422-L426 HydrophobicContact CD1-CG 4.43Å; L422-L426 HydrophobicContact CD2-CD2 4.46Å; L422-L426 HydrophobicContact CD2-CG 4.43Å; L422-L426 HydrophobicContact CG-CD2 3.95Å; L422-L426 HydrophobicContact CG-CG 4.3Å; S423-L426 WeakPolarHBondContact O-CA 3.41Å; S423-L426 WeakPolarHBondContact O-CB 3.43Å; S423-L426 PolarHBondContact O-N 3.27Å; A424-L426 VanDerWaalsContact C-N 3.31Å; A424-L426 PolarHBondContact O-N 3.16Å; L426-A428 VanDerWaalsContact C-N 3.29Å; L426-A428 PolarHBondContact O-N 3.16Å; L426-V429 PolarHBondContact O-N 3.35Å; L426-I430 HydrophobicContact CD1-CD1 4.26Å; L426-I430 HydrophobicContact CD1-CG1 4.43Å; L426-I430 HydrophobicContact CG-CD1 4.12Å; L426-I430 VanDerWaalsContact O-CG1 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.33Å; L426-I430 PolarHBondContact O-N 3.4Å
427K74.8Confident70.7Confident66 Ų6672.1 Ų72.129%0.28740%0.403SS..Hα-helixtrans-58-40.3170-71.8172.3169.2146.70111.4W261 V419 E420 L422 S423 A424 R431W261-K427 HydrophobicContact CH2-CB 4.1Å; W261-K427 HydrophobicContact CH2-CG 4.09Å; W261-K427 HydrophobicContact CZ3-CB 4.35Å; W261-K427 HydrophobicContact CZ3-CG 3.99Å; V419-K427 PolarHBondContact O-NZ 3.07Å; E420-K427 PolarHBondContact O-NZ 3.43Å; L422-K427 HydrophobicContact CD2-CG 4.05Å; L422-K427 WeakPolarHBondContact O-CD 3.31Å; L422-K427 WeakPolarHBondContact O-CE 3.4Å; L422-K427 PolarHBondContact O-NZ 3.33Å; S423-K427 PolarHBondContact O-N 3.36Å; S423-K427 VanDerWaalsContact O-N 3.08Å; A424-K427 PolarHBondContact O-N 2.9Å; K427-R431 PolarHBondContact O-N 2.96Å; K427-R431 VanDerWaalsContact O-N 3.09Å
428A79.7Confident73.4Confident59 Ų5970.1 Ų70.149%0.48839%0.392SS..Hα-helixtrans-67.5-42.8176.200000113.2A424 P425 L426 R431 A432A424-A428 PolarHBondContact O-N 2.9Å; P425-A428 WeakPolarHBondContact O-CB 3.46Å; P425-A428 PolarHBondContact O-N 3.19Å; L426-A428 VanDerWaalsContact C-N 3.29Å; L426-A428 PolarHBondContact O-N 3.16Å; A428-R431 WeakPolarHBondContact O-CB 3.26Å; A428-R431 PolarHBondContact O-N 3.15Å; A428-A432 PolarHBondContact O-N 3.32Å
429V82.7Confident75.7Confident86 Ų8671 Ų7152%0.52139%0.39SS..Hα-helixtrans-62.3-45.3175.5170.90000111.2P425 L426 R431 A432 V433P425-V429 WeakPolarHBondContact O-CG2 3.48Å; P425-V429 PolarHBondContact O-N 3.34Å; L426-V429 PolarHBondContact O-N 3.35Å; V429-R431 VanDerWaalsContact C-N 3.3Å; V429-R431 PolarHBondContact O-N 2.93Å; V429-A432 WeakPolarHBondContact O-CB 3.47Å; V429-A432 PolarHBondContact O-N 2.88Å; V429-A432 VanDerWaalsContact O-N 3.15Å; V429-V433 WeakPolarHBondContact O-CG2 3.3Å; V429-V433 PolarHBondContact O-N 3.41Å
430I81.2Confident77.8Confident12 Ų1272.9 Ų72.96%0.06240%0.401CS..Hα-helixtrans-58.7-42.7175.9-70.9165.4000110.9W261 Y264 L268 L422 L426 V433 R434W261-I430 HydrophobicContact CH2-CG2 4.23Å; W261-I430 HydrophobicContact CZ3-CB 4.23Å; W261-I430 HydrophobicContact CZ3-CD1 4.03Å; W261-I430 HydrophobicContact CZ3-CG2 3.88Å; Y264-I430 HydrophobicContact CD2-CG2 3.93Å; Y264-I430 HydrophobicContact CE1-CG2 4.23Å; Y264-I430 HydrophobicContact CE2-CG2 3.51Å; Y264-I430 HydrophobicContact CG-CD1 4.47Å; Y264-I430 HydrophobicContact CG-CG2 4.41Å; L268-I430 HydrophobicContact CD1-CD1 4.45Å; L422-I430 HydrophobicContact CD2-CD1 3.99Å; L426-I430 HydrophobicContact CD1-CD1 4.26Å; L426-I430 HydrophobicContact CD1-CG1 4.43Å; L426-I430 HydrophobicContact CG-CD1 4.12Å; L426-I430 VanDerWaalsContact O-CG1 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.33Å; L426-I430 PolarHBondContact O-N 3.4Å; I430-V433 PolarHBondContact O-N 2.79Å; I430-R434 WeakPolarHBondContact O-CG 3.36Å; I430-R434 PolarHBondContact O-N 2.8Å
431R83.4Confident79.7Confident100 Ų10066.3 Ų66.338%0.37737%0.372SS..Hα-helixtrans-62.2-44.6174.8-167.1-176.5-171.9167.113.6111.8D251 K427 A428 V429 V433 R434 I435D251-R431 IonicContact OD1-CZ 2.71Å; D251-R431 IonicContact OD1-NH1 3.18Å; D251-R431 IonicContact OD1-NH2 3.86Å; D251-R431 PolarHBondContact OD1-NH2 3.21Å; K427-R431 PolarHBondContact O-N 2.96Å; K427-R431 VanDerWaalsContact O-N 3.09Å; A428-R431 WeakPolarHBondContact O-CB 3.26Å; A428-R431 PolarHBondContact O-N 3.15Å; V429-R431 VanDerWaalsContact C-N 3.3Å; V429-R431 PolarHBondContact O-N 2.93Å; R431-V433 PolarHBondContact O-N 2.93Å; R431-R434 PolarHBondContact O-N 2.95Å; R431-I435 HydrophobicContact CG-CD1 4.28Å; R431-I435 WeakPolarHBondContact O-CG1 3.48Å; R431-I435 PolarHBondContact O-N 2.9Å
432A84.3Confident81.7Confident57 Ų5767.9 Ų67.947%0.47138%0.376SS..Hα-helixtrans-60.1-44.8176.900000112.1A428 V429 R434 I435 M436A428-A432 PolarHBondContact O-N 3.32Å; V429-A432 WeakPolarHBondContact O-CB 3.47Å; V429-A432 PolarHBondContact O-N 2.88Å; V429-A432 VanDerWaalsContact O-N 3.15Å; A432-R434 VanDerWaalsContact C-N 3.33Å; A432-R434 PolarHBondContact O-N 3.46Å; A432-I435 PolarHBondContact O-N 2.85Å; A432-M436 PolarHBondContact O-N 3.34Å
433V85.6Confident83.2Confident51 Ų5172 Ų7231%0.30939%0.391SS..Hα-helixtrans-61.8-38.9174.6173.70000111.6V429 I430 R431 M436 K437V429-V433 WeakPolarHBondContact O-CG2 3.3Å; V429-V433 PolarHBondContact O-N 3.41Å; I430-V433 PolarHBondContact O-N 2.79Å; R431-V433 PolarHBondContact O-N 2.93Å; V433-M436 PolarHBondContact O-N 3.42Å; V433-K437 HydrophobicContact CG1-CD 4.31Å; V433-K437 WeakPolarHBondContact O-CG 3.48Å; V433-K437 PolarHBondContact O-N 2.84Å
434R86.3Confident84.2Confident26 Ų2675 Ų7510%0.09840%0.396CS..Hα-helixtrans-67.2-38.8174.1-73.6-66.1-169-151.7-7.5112.6L247 T250 Y264 I430 R431 A432 M436 K437 F438L247-R434 HydrophobicContact CD1-CB 4.24Å; T250-R434 HydrophobicContact CG2-CG 4.17Å; Y264-R434 VanDerWaalsContact CZ-NH2 3.25Å; Y264-R434 PolarHBondContact OH-NE 2.99Å; Y264-R434 PolarHBondContact OH-NH2 3.48Å; Y264-R434 VanDerWaalsContact OH-NH2 3.15Å; I430-R434 WeakPolarHBondContact O-CG 3.36Å; I430-R434 PolarHBondContact O-N 2.8Å; R431-R434 PolarHBondContact O-N 2.95Å; A432-R434 VanDerWaalsContact C-N 3.33Å; A432-R434 PolarHBondContact O-N 3.46Å; R434-M436 VanDerWaalsContact C-N 3.34Å; R434-K437 PolarHBondContact O-N 3.24Å; R434-F438 WeakPolarHBondContact O-CB 3.36Å; R434-F438 PolarHBondContact O-N 2.88Å
435I88Confident85.1Confident68 Ų6874.1 Ų74.135%0.34938%0.378SS..Hα-helixtrans-60.8-44.3173.4-68.1166.2000110.4L247 R431 A432 F438 H439L247-I435 HydrophobicContact CD1-CG1 3.49Å; L247-I435 VanDerWaalsContact CD1-CG1 3.49Å; L247-I435 HydrophobicContact CD2-CG1 4.34Å; R431-I435 HydrophobicContact CG-CD1 4.28Å; R431-I435 WeakPolarHBondContact O-CG1 3.48Å; R431-I435 PolarHBondContact O-N 2.9Å; A432-I435 PolarHBondContact O-N 2.85Å; I435-F438 PolarHBondContact O-N 2.87Å; I435-H439 PolarHBondContact O-N 2.89Å; I435-H439 PolarHBondContact O-ND1 2.85Å
436M88.9Confident85.7Confident121 Ų12177.2 Ų77.260%0.59638%0.383SS*.Hα-helixtrans-63.2-49176.6-172.7170.669.300111.5A432 V433 R434 F438 H439 V440A432-M436 PolarHBondContact O-N 3.34Å; V433-M436 PolarHBondContact O-N 3.42Å; R434-M436 VanDerWaalsContact C-N 3.34Å; M436-F438 VanDerWaalsContact C-N 3.29Å; M436-F438 PolarHBondContact O-N 3.42Å; M436-H439 PolarHBondContact O-N 2.83Å; M436-H439 VanDerWaalsContact O-N 3.11Å; M436-V440 WeakPolarHBondContact O-CG2 3.33Å; M436-V440 PolarHBondContact O-N 3.18Å
437K86.5Confident86Confident120 Ų12078.8 Ų78.852%0.52239%0.389SS..Hα-helixtrans-60.7-35.3176.7-72.9-174.8177.9-1740112.5V433 R434 A441V433-K437 HydrophobicContact CG1-CD 4.31Å; V433-K437 WeakPolarHBondContact O-CG 3.48Å; V433-K437 PolarHBondContact O-N 2.84Å; R434-K437 PolarHBondContact O-N 3.24Å; K437-A441 WeakPolarHBondContact O-CB 3.48Å; K437-A441 PolarHBondContact O-N 3.11Å
438F92.2Very high86.1Confident44 Ų4477.9 Ų77.919%0.19339%0.389CS..Hα-helixtrans-64.8-44.4171.9169.5-104.7000112.5L240 A244 L247 R434 I435 M436 V440 A441 K442L240-F438 HydrophobicContact CD1-CD2 4.02Å; L240-F438 HydrophobicContact CD1-CE2 3.72Å; A244-F438 HydrophobicContact CB-CD2 4.11Å; A244-F438 HydrophobicContact CB-CE2 3.89Å; L247-F438 HydrophobicContact CD2-CB 3.98Å; L247-F438 HydrophobicContact CD2-CD1 3.95Å; L247-F438 HydrophobicContact CD2-CG 3.92Å; R434-F438 WeakPolarHBondContact O-CB 3.36Å; R434-F438 PolarHBondContact O-N 2.88Å; I435-F438 PolarHBondContact O-N 2.87Å; M436-F438 VanDerWaalsContact C-N 3.29Å; M436-F438 PolarHBondContact O-N 3.42Å; F438-V440 PolarHBondContact O-N 3.16Å; F438-A441 PolarHBondContact O-N 3Å; F438-K442 HydrophobicContact CE1-CD 4.25Å; F438-K442 HydrophobicContact CZ-CD 4.25Å; F438-K442 VanDerWaalsContact O-CB 3.27Å; F438-K442 WeakPolarHBondContact O-CB 3.43Å; F438-K442 PolarHBondContact O-N 3.06Å
439H91.5Very high85.8Confident102 Ų10279.3 Ų79.347%0.47239%0.388SS..Hα-helixtrans-64.6-38.7177-77.686.6000112.4I435 M436 K442 K443I435-H439 PolarHBondContact O-N 2.89Å; I435-H439 PolarHBondContact O-ND1 2.85Å; M436-H439 PolarHBondContact O-N 2.83Å; M436-H439 VanDerWaalsContact O-N 3.11Å; H439-K442 PolarHBondContact O-N 3.23Å; H439-K443 WeakPolarHBondContact O-CB 3.45Å; H439-K443 PolarHBondContact O-N 3.25Å
440V91.5Very high85.2Confident73 Ų7383.1 Ų83.144%0.44239%0.393SS..Hα-helixtrans-63.3-47.1173173.70000111.2M436 F438 K442 K443 K444M436-V440 WeakPolarHBondContact O-CG2 3.33Å; M436-V440 PolarHBondContact O-N 3.18Å; F438-V440 PolarHBondContact O-N 3.16Å; V440-K442 VanDerWaalsContact C-N 3.32Å; V440-K442 PolarHBondContact O-N 2.9Å; V440-K443 PolarHBondContact O-N 3.08Å; V440-K444 HydrophobicContact CG1-CD 4.4Å; V440-K444 PolarHBondContact O-N 3.14Å
441A89.8Confident84.5Confident11 Ų1186.2 Ų86.29%0.09141%0.414CS..Hα-helixtrans-62.2-39.5176.900000112.2L240 A243 K437 F438 F445L240-A441 HydrophobicContact CD1-CB 4.32Å; A243-A441 HydrophobicContact CB-CB 3.98Å; K437-A441 WeakPolarHBondContact O-CB 3.48Å; K437-A441 PolarHBondContact O-N 3.11Å; F438-A441 PolarHBondContact O-N 3Å; A441-F445 WeakPolarHBondContact O-CB 3.45Å; A441-F445 PolarHBondContact O-N 2.7Å
442K91.4Very high83.7Confident111 Ų11186.7 Ų86.748%0.48342%0.416SS..Hα-helixtrans-65.2-39.5175.4-176.9-178.7177.5-176.80112.1L240 F438 H439 V440 K446L240-K442 HydrophobicContact CD1-CB 3.95Å; F438-K442 HydrophobicContact CE1-CD 4.25Å; F438-K442 HydrophobicContact CZ-CD 4.25Å; F438-K442 VanDerWaalsContact O-CB 3.27Å; F438-K442 WeakPolarHBondContact O-CB 3.43Å; F438-K442 PolarHBondContact O-N 3.06Å; H439-K442 PolarHBondContact O-N 3.23Å; V440-K442 VanDerWaalsContact C-N 3.32Å; V440-K442 PolarHBondContact O-N 2.9Å; K442-K446 WeakPolarHBondContact O-CB 3.31Å; K442-K446 PolarHBondContact O-N 3.09Å
443K88.9Confident82.8Confident131 Ų13188.7 Ų88.757%0.5742%0.419SS*.Hα-helixtrans-63.6-54.6174179.9179.3166.7-175.30110.5H439 V440 F445 K446 E447H439-K443 WeakPolarHBondContact O-CB 3.45Å; H439-K443 PolarHBondContact O-N 3.25Å; V440-K443 PolarHBondContact O-N 3.08Å; K443-F445 VanDerWaalsContact C-N 3.34Å; K443-F445 PolarHBondContact O-N 3.22Å; K443-K446 CarbonylContact O-C 3.42Å; K443-K446 PolarHBondContact O-N 3.28Å; K443-E447 WeakPolarHBondContact CE-OE1 3.34Å; K443-E447 WeakPolarHBondContact CG-OE1 3.43Å; K443-E447 IonicContact NZ-OE1 3.85Å; K443-E447 WeakPolarHBondContact O-CG 3.46Å; K443-E447 PolarHBondContact O-N 3.37Å
444K85.3Confident82.2Confident131 Ų13191.3 Ų91.357%0.5744%0.435SS*.Hα-helixtrans-56.8-43178.1-71.7-171.1175.1-169.60112.6V440 E447 T448V440-K444 HydrophobicContact CG1-CD 4.4Å; V440-K444 PolarHBondContact O-N 3.14Å; K444-E447 WeakPolarHBondContact CA-OE2 3.43Å; K444-E447 PolarHBondContact O-N 3Å; K444-T448 VanDerWaalsContact O-CG2 3.24Å; K444-T448 WeakPolarHBondContact O-CG2 3.36Å; K444-T448 PolarHBondContact O-N 3.35Å
445F87.6Confident81.6Confident58 Ų5896 Ų9625%0.25446%0.456SS..Hα-helixtrans-62.3-45.9174.2178.6-112.3000112P236 A237 L240 A441 K443 E447 T448 L449P236-F445 HydrophobicContact CB-CD2 4.29Å; A237-F445 HydrophobicContact CB-CD2 4.11Å; A237-F445 HydrophobicContact CB-CE2 3.73Å; L240-F445 HydrophobicContact CB-CB 4.41Å; L240-F445 HydrophobicContact CD2-CB 3.88Å; L240-F445 HydrophobicContact CD2-CD1 3.45Å; L240-F445 VanDerWaalsContact CD2-CD1 3.45Å; L240-F445 HydrophobicContact CD2-CE1 4.17Å; L240-F445 HydrophobicContact CD2-CG 3.75Å; A441-F445 WeakPolarHBondContact O-CB 3.45Å; A441-F445 PolarHBondContact O-N 2.7Å; K443-F445 VanDerWaalsContact C-N 3.34Å; K443-F445 PolarHBondContact O-N 3.22Å; F445-E447 VanDerWaalsContact C-N 3.31Å; F445-E447 PolarHBondContact O-N 2.86Å; F445-T448 PolarHBondContact O-N 3Å; F445-T448 PolarHBondContact O-OG1 3.39Å; F445-L449 HydrophobicContact CE1-CD1 4.08Å; F445-L449 HydrophobicContact CZ-CD1 4.39Å; F445-L449 HydrophobicContact CZ-CD2 4.36Å; F445-L449 PolarHBondContact O-N 2.99Å
446K85.8Confident81Confident149 Ų14995.6 Ų95.665%0.64846%0.455SS*.Hα-helixtrans-64.5-33.6177.6-171177.6180-175.90112.8K442 K443 L449K442-K446 WeakPolarHBondContact O-CB 3.31Å; K442-K446 PolarHBondContact O-N 3.09Å; K443-K446 CarbonylContact O-C 3.42Å; K443-K446 PolarHBondContact O-N 3.28Å; K446-L449 WeakPolarHBondContact O-CB 3.05Å; K446-L449 PolarHBondContact O-N 3.42Å
447E81.5Confident80.4Confident79 Ų7994.5 Ų94.537%0.36946%0.455SS..Hα-helixtrans-64-44.9172.8-75.9159.916700110.8K443 K444 F445 L449 R450K443-E447 WeakPolarHBondContact CE-OE1 3.34Å; K443-E447 WeakPolarHBondContact CG-OE1 3.43Å; K443-E447 IonicContact NZ-OE1 3.85Å; K443-E447 WeakPolarHBondContact O-CG 3.46Å; K443-E447 PolarHBondContact O-N 3.37Å; K444-E447 WeakPolarHBondContact CA-OE2 3.43Å; K444-E447 PolarHBondContact O-N 3Å; F445-E447 VanDerWaalsContact C-N 3.31Å; F445-E447 PolarHBondContact O-N 2.86Å; E447-L449 PolarHBondContact O-N 3.42Å; E447-R450 WeakPolarHBondContact O-CB 3.43Å; E447-R450 PolarHBondContact O-N 3.48Å
448T76.8Confident80.1Confident46 Ų4694 Ų9428%0.28246%0.456SS..Hα-helixtrans-64.5-14.917769.50000114.7R233 P236 K444 F445R233-T448 VanDerWaalsContact CZ-O 3.28Å; R233-T448 PolarHBondContact NE-O 3.03Å; R233-T448 PolarHBondContact NH2-O 2.94Å; P236-T448 HydrophobicContact CB-CG2 3.99Å; P236-T448 HydrophobicContact CG-CG2 3.6Å; K444-T448 VanDerWaalsContact O-CG2 3.24Å; K444-T448 WeakPolarHBondContact O-CG2 3.36Å; K444-T448 PolarHBondContact O-N 3.35Å; F445-T448 PolarHBondContact O-N 3Å; F445-T448 PolarHBondContact O-OG1 3.39Å
449L72.8Confident79.6Confident90 Ų9097.2 Ų97.247%0.47147%0.472SS..THydrogen-bonded Turntrans-80.4-16.2172.9-65.5175.7000113.4R233 F445 K446 E447R233-L449 PolarHBondContact NH2-O 3.18Å; F445-L449 HydrophobicContact CE1-CD1 4.08Å; F445-L449 HydrophobicContact CZ-CD1 4.39Å; F445-L449 HydrophobicContact CZ-CD2 4.36Å; F445-L449 PolarHBondContact O-N 2.99Å; K446-L449 WeakPolarHBondContact O-CB 3.05Å; K446-L449 PolarHBondContact O-N 3.42Å; E447-L449 PolarHBondContact O-N 3.42Å
450R70.8Confident79.1Confident165 Ų16599.5 Ų99.562%0.62348%0.483SS*.SBendtrans-66.2150172.3-67.1179.9167.6160.1-5.6110R233 E447R233-R450 PolarHBondContact NH2-O 2.94Å; E447-R450 WeakPolarHBondContact O-CB 3.43Å; E447-R450 PolarHBondContact O-N 3.48Å
451P65.4Low78.7Confident77 Ų77103.8 Ų103.850%0.549%0.493SS..PPolyproline II helixtrans-64.2148.2166.728.3-33.1000109.6D453P451-D453 PolarHBondContact O-N 3.15Å
452Y66.1Low78.5Confident110 Ų110106.1 Ų106.143%0.43151%0.508SS..PPolyproline II helixtrans-63.7132173.3-89-75.4000110.1R226 H229 K232 D456R226-Y452 PolarHBondContact NH1-O 3.45Å; H229-Y452 HydrophobicContact CB-CE2 4.14Å; H229-Y452 AromaticContact CD2-CD2 3.85Å; K232-Y452 WeakPolarHBondContact CD-OH 3.35Å; Y452-D456 VanDerWaalsContact CA-OD2 3.28Å; Y452-D456 WeakPolarHBondContact CA-OD2 3.41Å; Y452-D456 HydrophobicContact CD1-CB 3.96Å; Y452-D456 WeakPolarHBondContact CD1-OD2 3.22Å; Y452-D456 HydrophobicContact CE1-CB 4.4Å
453D66.5Low78Confident100 Ų100103.7 Ų103.754%0.53551%0.508SS..  trans-124161.2-176.2-169.46.3000110.3P451 K455 D456P451-D453 PolarHBondContact O-N 3.15Å; D453-K455 HydrophobicContact CB-CB 4.32Å; D453-K455 PolarHBondContact O-N 2.94Å; D453-K455 VanDerWaalsContact O-N 3.15Å; D453-D456 PolarHBondContact N-OD2 2.68Å; D453-D456 WeakPolarHBondContact O-CB 3.32Å; D453-D456 PolarHBondContact O-N 3.25Å
454V72.6Confident78.1Confident105 Ų10599.4 Ų99.464%0.63650%0.501SS*.Hα-helixtrans-55.9-31.1172.6-178.10000110.3D456 V457 I458V454-D456 VanDerWaalsContact C-N 3.29Å; V454-D456 PolarHBondContact O-N 3.37Å; V454-V457 WeakPolarHBondContact O-CB 3.44Å; V454-V457 PolarHBondContact O-N 2.94Å; V454-V457 VanDerWaalsContact O-N 3.11Å; V454-I458 HydrophobicContact CG1-CD1 4.28Å; V454-I458 PolarHBondContact O-N 3.45Å; V454-I458 VanDerWaalsContact O-N 3.11Å
455K73.1Confident78.3Confident125 Ų12597 Ų9754%0.54349%0.492SS..Hα-helixtrans-54-40.5170.7-176.7176.9174.9178.60113.4D453 V457 I458 E459D453-K455 HydrophobicContact CB-CB 4.32Å; D453-K455 PolarHBondContact O-N 2.94Å; D453-K455 VanDerWaalsContact O-N 3.15Å; K455-V457 VanDerWaalsContact C-N 3.26Å; K455-V457 PolarHBondContact O-N 3.16Å; K455-I458 PolarHBondContact O-N 3.49Å; K455-E459 WeakPolarHBondContact O-CB 3.46Å; K455-E459 PolarHBondContact O-N 3.03Å
456D76.1Confident78.4Confident59 Ų5997.3 Ų97.332%0.31650%0.496SS..Hα-helixtrans-66.8-31.4180-61.5-52.7000111.4Y452 D453 V454 Q460Y452-D456 VanDerWaalsContact CA-OD2 3.28Å; Y452-D456 WeakPolarHBondContact CA-OD2 3.41Å; Y452-D456 HydrophobicContact CD1-CB 3.96Å; Y452-D456 WeakPolarHBondContact CD1-OD2 3.22Å; Y452-D456 HydrophobicContact CE1-CB 4.4Å; D453-D456 PolarHBondContact N-OD2 2.68Å; D453-D456 WeakPolarHBondContact O-CB 3.32Å; D453-D456 PolarHBondContact O-N 3.25Å; V454-D456 VanDerWaalsContact C-N 3.29Å; V454-D456 PolarHBondContact O-N 3.37Å; D456-Q460 WeakPolarHBondContact O-CB 3.33Å; D456-Q460 PolarHBondContact O-N 2.95Å
457V77Confident78.6Confident98 Ų9893.6 Ų93.659%0.59448%0.483SS*.Hα-helixtrans-68-42.9173.8-174.70000110.3V454 K455 Q460 Y461V454-V457 WeakPolarHBondContact O-CB 3.44Å; V454-V457 PolarHBondContact O-N 2.94Å; V454-V457 VanDerWaalsContact O-N 3.11Å; K455-V457 VanDerWaalsContact C-N 3.26Å; K455-V457 PolarHBondContact O-N 3.16Å; V457-Q460 PolarHBondContact O-N 3.17Å; V457-Y461 VanDerWaalsContact O-CB 3.24Å; V457-Y461 WeakPolarHBondContact O-CB 3.07Å; V457-Y461 PolarHBondContact O-N 3.42Å
458I80.4Confident78.9Confident109 Ų10994.3 Ų94.356%0.55949%0.488SS*.Hα-helixtrans-66.6-39.8175.7-62.2167.9000111.1V454 K455 Y461 S462V454-I458 HydrophobicContact CG1-CD1 4.28Å; V454-I458 PolarHBondContact O-N 3.45Å; V454-I458 VanDerWaalsContact O-N 3.11Å; K455-I458 PolarHBondContact O-N 3.49Å; I458-Y461 PolarHBondContact O-N 2.97Å; I458-S462 VanDerWaalsContact O-CB 3.27Å; I458-S462 WeakPolarHBondContact O-CB 3.15Å; I458-S462 PolarHBondContact O-N 3.41Å; I458-S462 PolarHBondContact O-OG 2.9Å
459E80.9Confident79.5Confident112 Ų11296.5 Ų96.552%0.52350%0.497SS..Hα-helixtrans-68.9-40177.7-164.6162.8158.800111.1K455 S462 A463K455-E459 WeakPolarHBondContact O-CB 3.46Å; K455-E459 PolarHBondContact O-N 3.03Å; E459-S462 WeakPolarHBondContact CA-OG 3.43Å; E459-S462 PolarHBondContact O-OG 3.4Å; E459-S462 VanDerWaalsContact O-OG 3.14Å; E459-A463 VanDerWaalsContact O-CB 3.25Å; E459-A463 WeakPolarHBondContact O-CB 3.44Å; E459-A463 PolarHBondContact O-N 2.94Å
460Q80.3Confident80.1Confident151 Ų15194.7 Ų94.771%0.70649%0.492SS*.Hα-helixtrans-67.8-42.6173-175.2174.8-11.800112.3D456 V457 G464D456-Q460 WeakPolarHBondContact O-CB 3.33Å; D456-Q460 PolarHBondContact O-N 2.95Å; V457-Q460 PolarHBondContact O-N 3.17Å; Q460-G464 PolarHBondContact O-N 3.16Å
461Y84.6Confident80.8Confident163 Ų16394.4 Ų94.464%0.63949%0.491SS*.Hα-helixtrans-64.3-48.1176.8178.9-97.8000111.2V457 I458 A463 G464 H465V457-Y461 VanDerWaalsContact O-CB 3.24Å; V457-Y461 WeakPolarHBondContact O-CB 3.07Å; V457-Y461 PolarHBondContact O-N 3.42Å; I458-Y461 PolarHBondContact O-N 2.97Å; Y461-A463 PolarHBondContact O-N 3.31Å; Y461-G464 PolarHBondContact O-N 2.93Å; Y461-H465 HydrophobicContact CE1-CB 4.43Å; Y461-H465 WeakPolarHBondContact O-CB 3.29Å; Y461-H465 PolarHBondContact O-N 3.11Å
462S84.1Confident81.9Confident60 Ų6094.7 Ų94.742%0.4249%0.487SS..Hα-helixtrans-64.2-39.6178.755.70000112.3I458 E459 L466I458-S462 VanDerWaalsContact O-CB 3.27Å; I458-S462 WeakPolarHBondContact O-CB 3.15Å; I458-S462 PolarHBondContact O-N 3.41Å; I458-S462 PolarHBondContact O-OG 2.9Å; E459-S462 WeakPolarHBondContact CA-OG 3.43Å; E459-S462 PolarHBondContact O-OG 3.4Å; E459-S462 VanDerWaalsContact O-OG 3.14Å; S462-L466 WeakPolarHBondContact O-CB 3.48Å; S462-L466 PolarHBondContact O-N 3.18Å
463A81.5Confident82.7Confident59 Ų5996.1 Ų96.149%0.48850%0.495SS..Hα-helixtrans-64.2-45.6173.200000112.4E459 Y461 L466 D467E459-A463 VanDerWaalsContact O-CB 3.25Å; E459-A463 WeakPolarHBondContact O-CB 3.44Å; E459-A463 PolarHBondContact O-N 2.94Å; Y461-A463 PolarHBondContact O-N 3.31Å; A463-L466 PolarHBondContact O-N 3.36Å; A463-D467 WeakPolarHBondContact O-CB 3.47Å; A463-D467 PolarHBondContact O-N 2.86Å
464G90.1Very high83.4Confident41 Ų4194.7 Ų94.742%0.42349%0.494SS..Hα-helixtrans-64.9-45.6178.500000113Q460 Y461 L466 D467 M468Q460-G464 PolarHBondContact O-N 3.16Å; Y461-G464 PolarHBondContact O-N 2.93Å; G464-L466 VanDerWaalsContact C-N 3.35Å; G464-L466 PolarHBondContact O-N 3.38Å; G464-D467 PolarHBondContact O-N 3.47Å; G464-M468 WeakPolarHBondContact O-CB 3.33Å; G464-M468 PolarHBondContact O-N 2.87Å
465H90.2Very high83.7Confident80 Ų8093.5 Ų93.537%0.3748%0.483SS..Hα-helixtrans-63.4-39.8175-174.8-89.2000111.6Y461 M468 L469Y461-H465 HydrophobicContact CE1-CB 4.43Å; Y461-H465 WeakPolarHBondContact O-CB 3.29Å; Y461-H465 PolarHBondContact O-N 3.11Å; H465-M468 PolarHBondContact O-N 3.03Å; H465-L469 VanDerWaalsContact O-CB 3.26Å; H465-L469 WeakPolarHBondContact O-CB 3.31Å; H465-L469 PolarHBondContact O-N 3.04Å
466L88.8Confident83.8Confident65 Ų6592.6 Ų92.634%0.3448%0.481SS..Hα-helixtrans-70-32.5178.1179.760.3000113.1S462 A463 G464 C470 R520S462-L466 WeakPolarHBondContact O-CB 3.48Å; S462-L466 PolarHBondContact O-N 3.18Å; A463-L466 PolarHBondContact O-N 3.36Å; G464-L466 VanDerWaalsContact C-N 3.35Å; G464-L466 PolarHBondContact O-N 3.38Å; L466-C470 WeakPolarHBondContact O-CB 3.46Å; L466-C470 PolarHBondContact O-N 2.98Å; L466-C470 VanDerWaalsContact O-N 3.14Å; L466-R520 PolarHBondContact O-NH2 3.41Å; L466-R520 VanDerWaalsContact O-NH2 3.09Å
467D90.5Very high83.5Confident72 Ų7293.6 Ų93.639%0.38549%0.489SS..Hα-helixtrans-71.7-47171-174.448.6000111A463 G464 L469 C470 R471A463-D467 WeakPolarHBondContact O-CB 3.47Å; A463-D467 PolarHBondContact O-N 2.86Å; G464-D467 PolarHBondContact O-N 3.47Å; D467-L469 PolarHBondContact O-N 3.29Å; D467-C470 CarbonylContact O-C 3.56Å; D467-C470 WeakPolarHBondContact O-CA 3.44Å; D467-C470 WeakPolarHBondContact O-CB 3.47Å; D467-C470 PolarHBondContact O-N 2.94Å; D467-R471 WeakPolarHBondContact O-CG 3.36Å; D467-R471 PolarHBondContact O-N 3.09Å; D467-R471 IonicContact OD1-NE 3.69Å; D467-R471 IonicContact OD2-CZ 3.57Å; D467-R471 IonicContact OD2-NE 2.69Å; D467-R471 PolarHBondContact OD2-NE 3.29Å; D467-R471 IonicContact OD2-NH2 3.38Å; D467-R471 PolarHBondContact OD2-NH2 3.27Å
468M88.6Confident82.8Confident94 Ų9492.1 Ų92.146%0.46348%0.483SS..Hα-helixtrans-54.1-49.5173.6-174.8-17178.600111.5G464 H465 C470 R471 I472G464-M468 WeakPolarHBondContact O-CB 3.33Å; G464-M468 PolarHBondContact O-N 2.87Å; H465-M468 PolarHBondContact O-N 3.03Å; M468-C470 VanDerWaalsContact C-N 3.27Å; M468-C470 PolarHBondContact O-N 3.31Å; M468-R471 PolarHBondContact O-N 3.17Å; M468-R471 VanDerWaalsContact O-N 3.17Å; M468-I472 HydrophobicContact CE-CD1 4.18Å; M468-I472 HydrophobicContact CG-CD1 3.9Å; M468-I472 WeakPolarHBondContact O-CG1 3.44Å; M468-I472 PolarHBondContact O-N 3.34Å; M468-I472 HydrophobicContact SD-CD1 4.5Å
469L89.5Confident81.8Confident92 Ų9294.5 Ų94.548%0.48249%0.485SS..Hα-helixtrans-61-36.5176.5-163.889.9000111.9H465 D467 K473H465-L469 VanDerWaalsContact O-CB 3.26Å; H465-L469 WeakPolarHBondContact O-CB 3.31Å; H465-L469 PolarHBondContact O-N 3.04Å; D467-L469 PolarHBondContact O-N 3.29Å; L469-K473 VanDerWaalsContact O-CB 3.3Å; L469-K473 WeakPolarHBondContact O-CB 3.48Å; L469-K473 PolarHBondContact O-N 2.84Å
470C84.4Confident80.8Confident52 Ų5292.7 Ų92.735%0.35148%0.482SS..Hα-helixtrans-68.3-38.5176.4-1560000112L466 D467 M468 S474L466-C470 WeakPolarHBondContact O-CB 3.46Å; L466-C470 PolarHBondContact O-N 2.98Å; L466-C470 VanDerWaalsContact O-N 3.14Å; D467-C470 CarbonylContact O-C 3.56Å; D467-C470 WeakPolarHBondContact O-CA 3.44Å; D467-C470 WeakPolarHBondContact O-CB 3.47Å; D467-C470 PolarHBondContact O-N 2.94Å; M468-C470 VanDerWaalsContact C-N 3.27Å; M468-C470 PolarHBondContact O-N 3.31Å; C470-S474 VanDerWaalsContact O-CB 3.22Å; C470-S474 WeakPolarHBondContact O-CB 3.36Å; C470-S474 PolarHBondContact O-N 2.82Å
471R86.9Confident79.6Confident159 Ų15989.6 Ų89.660%0.647%0.47SS*.Hα-helixtrans-68-44.9174.1-65.7177-165.7-154.86.4111.6D467 M468 K473 S474 L475D467-R471 WeakPolarHBondContact O-CG 3.36Å; D467-R471 PolarHBondContact O-N 3.09Å; D467-R471 IonicContact OD1-NE 3.69Å; D467-R471 IonicContact OD2-CZ 3.57Å; D467-R471 IonicContact OD2-NE 2.69Å; D467-R471 PolarHBondContact OD2-NE 3.29Å; D467-R471 IonicContact OD2-NH2 3.38Å; D467-R471 PolarHBondContact OD2-NH2 3.27Å; M468-R471 PolarHBondContact O-N 3.17Å; M468-R471 VanDerWaalsContact O-N 3.17Å; R471-K473 PolarHBondContact O-N 3.35Å; R471-S474 WeakPolarHBondContact O-CB 3.5Å; R471-S474 PolarHBondContact O-N 3.43Å; R471-L475 VanDerWaalsContact O-CG 3.31Å; R471-L475 WeakPolarHBondContact O-CG 3.48Å; R471-L475 PolarHBondContact O-N 2.93Å
472I87.4Confident78.4Confident83 Ų8386.5 Ų86.543%0.42646%0.461SS..Hα-helixtrans-59-49175.3-68.3165.9000109.9M468 S474 L475 Q476M468-I472 HydrophobicContact CE-CD1 4.18Å; M468-I472 HydrophobicContact CG-CD1 3.9Å; M468-I472 WeakPolarHBondContact O-CG1 3.44Å; M468-I472 PolarHBondContact O-N 3.34Å; M468-I472 HydrophobicContact SD-CD1 4.5Å; I472-S474 VanDerWaalsContact C-N 3.33Å; I472-S474 PolarHBondContact O-N 3.14Å; I472-L475 PolarHBondContact O-N 3.47Å; I472-Q476 WeakPolarHBondContact O-CB 3.47Å; I472-Q476 PolarHBondContact O-N 3.18Å
473K83.4Confident77.1Confident139 Ų13990.4 Ų90.460%0.60448%0.476SS*.Hα-helixtrans-65.6-34.8177.8-170.5163.2-174.3162.80112.8L469 R471 T477L469-K473 VanDerWaalsContact O-CB 3.3Å; L469-K473 WeakPolarHBondContact O-CB 3.48Å; L469-K473 PolarHBondContact O-N 2.84Å; R471-K473 PolarHBondContact O-N 3.35Å; K473-T477 WeakPolarHBondContact O-CB 3.44Å; K473-T477 PolarHBondContact O-N 3.21Å; K473-T477 PolarHBondContact O-OG1 3.14Å
474S80.2Confident75.7Confident71 Ų7193.8 Ų93.850%0.49749%0.485SS..Hα-helixtrans-63.8-43.1171.4170.70000111.9C470 R471 I472 S478C470-S474 VanDerWaalsContact O-CB 3.22Å; C470-S474 WeakPolarHBondContact O-CB 3.36Å; C470-S474 PolarHBondContact O-N 2.82Å; R471-S474 WeakPolarHBondContact O-CB 3.5Å; R471-S474 PolarHBondContact O-N 3.43Å; I472-S474 VanDerWaalsContact C-N 3.33Å; I472-S474 PolarHBondContact O-N 3.14Å; S474-S478 WeakPolarHBondContact O-CA 3.34Å; S474-S478 WeakPolarHBondContact O-CB 3.49Å; S474-S478 PolarHBondContact O-N 3.29Å
475L79.2Confident73.6Confident80 Ų8093.8 Ų93.842%0.41949%0.485SS..Hα-helixtrans-66.3-42.1176.5-70.7167.9000111.6R471 I472 R479 V480R471-L475 VanDerWaalsContact O-CG 3.31Å; R471-L475 WeakPolarHBondContact O-CG 3.48Å; R471-L475 PolarHBondContact O-N 2.93Å; I472-L475 PolarHBondContact O-N 3.47Å; L475-R479 WeakPolarHBondContact O-CA 3.32Å; L475-R479 VanDerWaalsContact O-CB 3.32Å; L475-R479 WeakPolarHBondContact O-CB 3.36Å; L475-R479 PolarHBondContact O-N 2.91Å; L475-V480 PolarHBondContact O-N 3.21Å
476Q75.7Confident71.8Confident106 Ų106100.1 Ų100.150%0.49551%0.511SS..Iπ-helixtrans-63.7-57.1177.5-168.6172-6.300110.7I472 V480 D481I472-Q476 WeakPolarHBondContact O-CB 3.47Å; I472-Q476 PolarHBondContact O-N 3.18Å; Q476-V480 WeakPolarHBondContact O-CB 3.44Å; Q476-V480 PolarHBondContact O-N 3.03Å; Q476-V480 VanDerWaalsContact O-N 3.16Å; Q476-D481 VanDerWaalsContact O-CG 3.32Å; Q476-D481 PolarHBondContact O-N 3.04Å
477T69.5Low69.5Low79 Ų7999.8 Ų99.849%0.48552%0.524SS..Iπ-helixtrans-77.5-26.7-173.9-54.90000114.9K473 D481K473-T477 WeakPolarHBondContact O-CB 3.44Å; K473-T477 PolarHBondContact O-N 3.21Å; K473-T477 PolarHBondContact O-OG1 3.14Å; T477-D481 WeakPolarHBondContact CA-OD2 3.47Å
478S62.3Low67.2Low67 Ų67105.4 Ų105.447%0.46955%0.548SS..Iπ-helixtrans-107.3-4.4-177.3-167.70000114.3S474 Q482S474-S478 WeakPolarHBondContact O-CA 3.34Å; S474-S478 WeakPolarHBondContact O-CB 3.49Å; S474-S478 PolarHBondContact O-N 3.29Å; S478-Q482 PolarHBondContact O-OE1 3.29Å
479R58.9Low64.9Low160 Ų160107.7 Ų107.760%0.60456%0.561SS**Iπ-helixtrans-131.6-53.6175.3-57.9-172.4-178.8172.1-3.9111.6L475 I483L475-R479 WeakPolarHBondContact O-CA 3.32Å; L475-R479 VanDerWaalsContact O-CB 3.32Å; L475-R479 WeakPolarHBondContact O-CB 3.36Å; L475-R479 PolarHBondContact O-N 2.91Å; R479-I483 HydrophobicContact CB-CD1 4.4Å; R479-I483 WeakPolarHBondContact O-CB 3.41Å; R479-I483 VanDerWaalsContact O-CD1 3.29Å; R479-I483 WeakPolarHBondContact O-CD1 3.34Å; R479-I483 WeakPolarHBondContact O-CG1 3.14Å; R479-I483 PolarHBondContact O-N 3.44Å
480V60.4Low62.4Low74 Ų74109.2 Ų109.245%0.44858%0.576SS.*Iπ-helixtrans-68.3-54.4-177.3-177.80000111.2L475 Q476 Q482 I483 L484L475-V480 PolarHBondContact O-N 3.21Å; Q476-V480 WeakPolarHBondContact O-CB 3.44Å; Q476-V480 PolarHBondContact O-N 3.03Å; Q476-V480 VanDerWaalsContact O-N 3.16Å; V480-Q482 PolarHBondContact O-N 3.4Å; V480-I483 PolarHBondContact O-N 3.08Å; V480-L484 HydrophobicContact CG1-CD1 3.67Å; V480-L484 VanDerWaalsContact O-CD1 3.31Å; V480-L484 WeakPolarHBondContact O-CD1 3.31Å; V480-L484 PolarHBondContact O-N 2.92Å
481D55.9Low60Low85 Ų85112.3 Ų112.346%0.45559%0.593SS.*Hα-helixtrans-67.5-23.2-178.6-61-24.7000112.8Q476 T477Q476-D481 VanDerWaalsContact O-CG 3.32Å; Q476-D481 PolarHBondContact O-N 3.04Å; T477-D481 WeakPolarHBondContact CA-OD2 3.47Å
482Q59.3Low57.3Low98 Ų98112.4 Ų112.446%0.45861%0.605SS.*Hα-helixtrans-86.5-33.4177.3-157.7168.51.700111.9S478 V480 E556S478-Q482 PolarHBondContact O-OE1 3.29Å; V480-Q482 PolarHBondContact O-N 3.4Å; Q482-E556 PolarHBondContact NE2-O 3.37Å; Q482-E556 PolarHBondContact NE2-OXT 3.42Å
483I55.6Low54.9Low142 Ų142117.6 Ų117.673%0.72863%0.625SS**Hα-helixtrans-79.5-36.2176.4-68.2166.3000112.4R479 V480 G485R479-I483 HydrophobicContact CB-CD1 4.4Å; R479-I483 WeakPolarHBondContact O-CB 3.41Å; R479-I483 VanDerWaalsContact O-CD1 3.29Å; R479-I483 WeakPolarHBondContact O-CD1 3.34Å; R479-I483 WeakPolarHBondContact O-CG1 3.14Å; R479-I483 PolarHBondContact O-N 3.44Å; V480-I483 PolarHBondContact O-N 3.08Å; I483-G485 PolarHBondContact O-N 2.95Å
484L53.6Low52.4Low131 Ų131118.6 Ų118.669%0.68663%0.629SS**SBendtrans-73.4-15.3172.7-8796.8000112.9V480V480-L484 HydrophobicContact CG1-CD1 3.67Å; V480-L484 VanDerWaalsContact O-CD1 3.31Å; V480-L484 WeakPolarHBondContact O-CD1 3.31Å; V480-L484 PolarHBondContact O-N 2.92Å
485G46.3Very low50.6Low41 Ų41120 Ų12042%0.42364%0.637SS.*  trans62.5176.3-174.900000113.5I483 G487I483-G485 PolarHBondContact O-N 2.95Å; G485-G487 PolarHBondContact O-N 3.3Å
486K52.3Low48.1Very low212 Ų212128 Ų12892%0.92266%0.661SS**  trans-77.771.8164.1-74.5-179.6177.8174.40109.4Q488K486-Q488 PolarHBondContact O-N 3.42Å
487G39.9Very low45.8Very low59 Ų59128.1 Ų128.161%0.60867%0.665SS**  trans-55.4109.8174.500000110.8G485 I489G485-G487 PolarHBondContact O-N 3.3Å; G487-I489 PolarHBondContact O-N 3.37Å; G487-I489 VanDerWaalsContact O-N 3.13Å
488Q41Very low43.9Very low190 Ų190134.3 Ų134.389%0.88869%0.686SS**  trans-65.8107.8167.6-70.9178.1-12.200108.1K486K486-Q488 PolarHBondContact O-N 3.42Å
489I40.7Very low42.3Very low142 Ų142138.4 Ų138.473%0.72870%0.701SS**  trans-106107.2161.8-51.3-179.2000106.4G487 V491G487-I489 PolarHBondContact O-N 3.37Å; G487-I489 VanDerWaalsContact O-N 3.13Å; I489-V491 HydrophobicContact CG2-CG2 3.82Å; I489-V491 PolarHBondContact O-N 3.02Å; I489-V491 VanDerWaalsContact O-N 3.15Å
490P37.3Very low40.8Very low123 Ų123139.6 Ų139.680%0.79971%0.713SS**  trans-73.3105.517229.8-30.7000108.2
491V34.8Very low39.3Very low118 Ų118144.4 Ų144.472%0.71573%0.73SS**  trans-115.6118.3165.5-176.30000107.7I489I489-V491 HydrophobicContact CG2-CG2 3.82Å; I489-V491 PolarHBondContact O-N 3.02Å; I489-V491 VanDerWaalsContact O-N 3.15Å
492D29.7Very low38Very low160 Ų160147.7 Ų147.786%0.85675%0.748SS**  trans-51.3140.9-178.1-85.1-68.6000114
493K36.7Very low37Very low193 Ų193146.2 Ų146.284%0.83976%0.76SS**  trans-130.4128.8162.8-68.6-179.5178.2176.40105.6
494K30.4Very low35.8Very low159 Ų159145.6 Ų145.669%0.69176%0.758SS**  -172.2-177.167-123.3-167.1163.1-150.10107.5D497K494-D497 IonicContact NZ-OD1 2.83Å; K494-D497 PolarHBondContact NZ-OD1 3.35Å; K494-D497 IonicContact NZ-OD2 3.58Å
495P43.5Very low34.9Very low101 Ų101145.4 Ų145.466%0.65677%0.767SS**  cis-136.6159.9-10.435.3-17.5000115.9
496R26.4Very low34.7Very low249 Ų249151.5 Ų151.594%0.9479%0.787SS**  -155.3127.8121.6-152.3163.4-173.6158.21.3111.5
497D28.3Very low33.9Very low107 Ų107150 Ų15057%0.57278%0.783SS**  trans-83151.1-178.3-53.8-79.5000112.2K494K494-D497 IonicContact NZ-OD1 2.83Å; K494-D497 PolarHBondContact NZ-OD1 3.35Å; K494-D497 IonicContact NZ-OD2 3.58Å
498K28.7Very low33.9Very low210 Ų210150.9 Ų150.991%0.91379%0.792SS**  trans-164.790.3134.2-105.5169.4-172.1-1710112.1
499L28.7Very low34.3Very low152 Ų152146.6 Ų146.680%0.79677%0.773SS**  trans-1.6125.9148.1-172.570.6000117.9
500H28.3Very low35.2Very low185 Ų185143.7 Ų143.786%0.85677%0.765SS**  -154.2170.1124.9-119.8-86.3000112.1
501H27.7Very low35.8Very low175 Ų175144.6 Ų144.681%0.8176%0.761SS**  trans-90.1157.4-144.2-165.971.9000115.9
502D29.8Very low36.4Very low154 Ų154145.3 Ų145.382%0.82476%0.76SS**  trans-70.7159.5177.2-133.4-33000112.6
503G36.7Very low37.7Very low68 Ų68138.9 Ų138.970%0.70173%0.731SS**  trans99.375.416300000118.3
504D31.9Very low38.6Very low129 Ų129136.1 Ų136.169%0.6972%0.716SS**  -161.2131.5110-148.9-29.2000111.8M506D504-M506 PolarHBondContact OD1-N 3.15Å
505S33.6Very low40Very low127 Ų127132.3 Ų132.389%0.88871%0.705SS**  trans-159.942.8167.4-138.10000111.9
506M41.9Very low40.6Very low169 Ų169128.9 Ų128.983%0.83368%0.683SS**  trans-119.8-2.3171.4-153162.267.100114.6D504D504-M506 PolarHBondContact OD1-N 3.15Å
507E35.5Very low42.2Very low180 Ų180122.4 Ų122.484%0.84166%0.662SS**SBendtrans-95.1113.3170.5-60.2-146133.300111.9
508G40.6Very low44.1Very low77 Ų77121.2 Ų121.279%0.79466%0.658SS**  trans149.8-22.217500000115.2S510G508-S510 PolarHBondContact O-N 3.38Å; G508-S510 VanDerWaalsContact O-N 3.09Å
509M48.3Very low45.7Very low100 Ų100117 Ų11749%0.49364%0.642SS.*  trans-79.5103.3-177.2-152.5163.1-16000111.8R514 K517M509-R514 HydrophobicContact CG-CG 4.46Å; M509-R514 PolarHBondContact O-NE 2.93Å; M509-R514 PolarHBondContact O-NH2 3.04Å; M509-K517 HydrophobicContact SD-CD 4.47Å
510S60.5Low47.4Very low81 Ų81114.6 Ų114.657%0.56662%0.623SS**  trans-46.9143.9173.6171.60000112.5G508 L512 G513 R514G508-S510 PolarHBondContact O-N 3.38Å; G508-S510 VanDerWaalsContact O-N 3.09Å; S510-L512 PolarHBondContact O-N 3.43Å; S510-L512 VanDerWaalsContact O-N 3.11Å; S510-G513 WeakPolarHBondContact O-CA 3.44Å; S510-G513 PolarHBondContact O-N 2.86Å; S510-R514 PolarHBondContact O-N 3.03Å
511M49.8Very low49.1Very low142 Ų142110.8 Ų110.870%0.761%0.605SS**Hα-helixtrans-49.4-38.6178.4-72.8-77.9-80.900112.9R514 V515M511-R514 PolarHBondContact O-N 3.4Å; M511-V515 WeakPolarHBondContact O-CG2 3.22Å; M511-V515 PolarHBondContact O-N 3.04Å
512L48.1Very low51.2Low133 Ų133106.4 Ų106.470%0.69659%0.59SS**Hα-helixtrans-68.3-36.9177.2-173.264.4000112.2S510 R514 V515 C516S510-L512 PolarHBondContact O-N 3.43Å; S510-L512 VanDerWaalsContact O-N 3.11Å; L512-R514 VanDerWaalsContact C-N 3.34Å; L512-V515 PolarHBondContact O-N 3.41Å; L512-C516 WeakPolarHBondContact O-CB 3.41Å; L512-C516 PolarHBondContact O-N 3.37Å
513G56.1Low52.8Low25 Ų25102.1 Ų102.126%0.25857%0.573SS.*Hα-helixtrans-65.5-35.5173.300000112.5S510 K517S510-G513 WeakPolarHBondContact O-CA 3.44Å; S510-G513 PolarHBondContact O-N 2.86Å; G513-K517 WeakPolarHBondContact O-CB 3.43Å; G513-K517 PolarHBondContact O-N 3.02Å
514R56.8Low54.2Low136 Ų136101.4 Ų101.451%0.51356%0.557SS.*Hα-helixtrans-65.4-45.4172.1-56.1-179.2-157.1-173.23.1111.3M509 S510 M511 L512 K517 V518M509-R514 HydrophobicContact CG-CG 4.46Å; M509-R514 PolarHBondContact O-NE 2.93Å; M509-R514 PolarHBondContact O-NH2 3.04Å; S510-R514 PolarHBondContact O-N 3.03Å; M511-R514 PolarHBondContact O-N 3.4Å; L512-R514 VanDerWaalsContact C-N 3.34Å; R514-K517 WeakPolarHBondContact O-CB 3.22Å; R514-K517 PolarHBondContact O-N 3.03Å; R514-V518 WeakPolarHBondContact O-CG2 3.41Å; R514-V518 PolarHBondContact O-N 3.26Å
515V59.6Low56.4Low78 Ų78100.3 Ų100.347%0.47355%0.55SS..Hα-helixtrans-61.5-46.1176.2172.50000111.3M511 L512 K517 V518 E519M511-V515 WeakPolarHBondContact O-CG2 3.22Å; M511-V515 PolarHBondContact O-N 3.04Å; L512-V515 PolarHBondContact O-N 3.41Å; V515-K517 VanDerWaalsContact C-N 3.31Å; V515-K517 PolarHBondContact O-N 2.91Å; V515-V518 WeakPolarHBondContact O-CB 3.31Å; V515-V518 PolarHBondContact O-N 3.24Å; V515-V518 VanDerWaalsContact O-N 3.11Å; V515-E519 PolarHBondContact O-N 2.92Å
516C54.7Low57.9Low29 Ų2999.9 Ų99.920%0.19653%0.534CS..Hα-helixtrans-66.5-32.4178.2-166.30000112.4L512 E519 R520L512-C516 WeakPolarHBondContact O-CB 3.41Å; L512-C516 PolarHBondContact O-N 3.37Å; C516-E519 PolarHBondContact O-N 2.92Å; C516-R520 WeakPolarHBondContact O-CB 3.47Å; C516-R520 VanDerWaalsContact O-CG 3.31Å; C516-R520 WeakPolarHBondContact O-CG 3.49Å; C516-R520 PolarHBondContact O-N 3.32Å
517K60.7Low59.1Low114 Ų11495.7 Ų95.750%0.49652%0.518SS..Hα-helixtrans-63.2-41.9170.1-173.5176.4-178.9178.40111.5M509 G513 R514 V515 R520 Q521M509-K517 HydrophobicContact SD-CD 4.47Å; G513-K517 WeakPolarHBondContact O-CB 3.43Å; G513-K517 PolarHBondContact O-N 3.02Å; R514-K517 WeakPolarHBondContact O-CB 3.22Å; R514-K517 PolarHBondContact O-N 3.03Å; V515-K517 VanDerWaalsContact C-N 3.31Å; V515-K517 PolarHBondContact O-N 2.91Å; K517-R520 PolarHBondContact O-N 2.88Å; K517-Q521 WeakPolarHBondContact O-CB 3.41Å; K517-Q521 WeakPolarHBondContact O-CG 3.48Å; K517-Q521 PolarHBondContact O-N 3.39Å
518V67.4Low60.8Low81 Ų8194 Ų9449%0.49151%0.508SS..Hα-helixtrans-65.7-45.3174.6171.90000111.4R514 V515 R520 Q521 V522R514-V518 WeakPolarHBondContact O-CG2 3.41Å; R514-V518 PolarHBondContact O-N 3.26Å; V515-V518 WeakPolarHBondContact O-CB 3.31Å; V515-V518 PolarHBondContact O-N 3.24Å; V515-V518 VanDerWaalsContact O-N 3.11Å; V518-R520 VanDerWaalsContact C-N 3.31Å; V518-R520 PolarHBondContact O-N 3.19Å; V518-Q521 PolarHBondContact O-N 2.85Å; V518-Q521 VanDerWaalsContact O-N 3.16Å; V518-V522 HydrophobicContact CG1-CG2 4.39Å; V518-V522 WeakPolarHBondContact O-CG2 3.31Å; V518-V522 PolarHBondContact O-N 2.94Å
519E62.1Low62.2Low122 Ų12295 Ų9557%0.5749%0.494SS*.Hα-helixtrans-58.6-42.4176-71.9-178.8147.500111.7V515 C516 V522 S523V515-E519 PolarHBondContact O-N 2.92Å; C516-E519 PolarHBondContact O-N 2.92Å; E519-V522 PolarHBondContact O-N 3.13Å; E519-S523 PolarHBondContact O-N 2.66Å; E519-S523 PolarHBondContact O-OG 3.21Å
520R66Low63.2Low102 Ų10294.3 Ų94.339%0.38549%0.493SS..Hα-helixtrans-65.8-38.6174.3-74.4171.2169.2-177.7-7.5113.3L466 C516 K517 V518 S524L466-R520 PolarHBondContact O-NH2 3.41Å; L466-R520 VanDerWaalsContact O-NH2 3.09Å; C516-R520 WeakPolarHBondContact O-CB 3.47Å; C516-R520 VanDerWaalsContact O-CG 3.31Å; C516-R520 WeakPolarHBondContact O-CG 3.49Å; C516-R520 PolarHBondContact O-N 3.32Å; K517-R520 PolarHBondContact O-N 2.88Å; V518-R520 VanDerWaalsContact C-N 3.31Å; V518-R520 PolarHBondContact O-N 3.19Å; R520-S524 WeakPolarHBondContact O-CB 3.5Å; R520-S524 PolarHBondContact O-N 3.02Å
521Q64.3Low63.1Low104 Ų10494.1 Ų94.149%0.48649%0.491SS..Hα-helixtrans-65.2-41.4174.2-77.6176.5-40.400111.4K517 V518 S524 I525K517-Q521 WeakPolarHBondContact O-CB 3.41Å; K517-Q521 WeakPolarHBondContact O-CG 3.48Å; K517-Q521 PolarHBondContact O-N 3.39Å; V518-Q521 PolarHBondContact O-N 2.85Å; V518-Q521 VanDerWaalsContact O-N 3.16Å; Q521-S524 PolarHBondContact O-N 3.48Å; Q521-I525 WeakPolarHBondContact O-CD1 3.28Å; Q521-I525 VanDerWaalsContact O-CG1 3.27Å; Q521-I525 WeakPolarHBondContact O-CG1 3.43Å; Q521-I525 PolarHBondContact O-N 3.39Å
522V71.1Confident63.8Low83 Ų8393.4 Ų93.450%0.50349%0.489SS..Hα-helixtrans-62.3-47.4175171.30000111V518 E519 S524 I525 E526V518-V522 HydrophobicContact CG1-CG2 4.39Å; V518-V522 WeakPolarHBondContact O-CG2 3.31Å; V518-V522 PolarHBondContact O-N 2.94Å; E519-V522 PolarHBondContact O-N 3.13Å; V522-S524 VanDerWaalsContact C-N 3.32Å; V522-S524 PolarHBondContact O-N 3.05Å; V522-I525 PolarHBondContact O-N 2.67Å; V522-E526 PolarHBondContact O-N 2.91Å
523S62.3Low64.7Low65 Ų6589.6 Ų89.646%0.45547%0.469SS..Hα-helixtrans-64.1-34.3175.6-61.90000113.1E519 I525 E526 T527E519-S523 PolarHBondContact O-N 2.66Å; E519-S523 PolarHBondContact O-OG 3.21Å; S523-I525 VanDerWaalsContact C-N 3.35Å; S523-E526 WeakPolarHBondContact O-CB 3.48Å; S523-E526 PolarHBondContact O-N 3.46Å; S523-T527 PolarHBondContact O-N 3.23Å; S523-T527 PolarHBondContact O-OG1 2.94Å
524S66.5Low65Low52 Ų5292.2 Ų92.236%0.36448%0.478SS..Hα-helixtrans-71.1-29.6174.3-179.50000112.9R520 Q521 V522 T527 K528R520-S524 WeakPolarHBondContact O-CB 3.5Å; R520-S524 PolarHBondContact O-N 3.02Å; Q521-S524 PolarHBondContact O-N 3.48Å; V522-S524 VanDerWaalsContact C-N 3.32Å; V522-S524 PolarHBondContact O-N 3.05Å; S524-T527 PolarHBondContact O-OG1 3.33Å; S524-K528 WeakPolarHBondContact O-CB 3.27Å; S524-K528 VanDerWaalsContact O-CG 3.28Å; S524-K528 WeakPolarHBondContact O-CG 3.44Å; S524-K528 PolarHBondContact O-N 2.9Å
525I78.1Confident65.6Low107 Ų10789.4 Ų89.455%0.54948%0.475SS..Hα-helixtrans-70.1-44.2171.7-70.5161.9000109.2Q521 V522 S523 T527 K528 L529Q521-I525 WeakPolarHBondContact O-CD1 3.28Å; Q521-I525 VanDerWaalsContact O-CG1 3.27Å; Q521-I525 WeakPolarHBondContact O-CG1 3.43Å; Q521-I525 PolarHBondContact O-N 3.39Å; V522-I525 PolarHBondContact O-N 2.67Å; S523-I525 VanDerWaalsContact C-N 3.35Å; I525-T527 PolarHBondContact O-N 3.4Å; I525-K528 PolarHBondContact O-N 2.92Å; I525-L529 VanDerWaalsContact O-CB 3.31Å; I525-L529 WeakPolarHBondContact O-CB 3.5Å; I525-L529 PolarHBondContact O-N 3.35Å
526E64.8Low65.5Low118 Ų11891.4 Ų91.455%0.55148%0.475SS*.Hα-helixtrans-54.7-52.1176-166168.7-156.800111V522 S523 K528 L529 D530V522-E526 PolarHBondContact O-N 2.91Å; S523-E526 WeakPolarHBondContact O-CB 3.48Å; S523-E526 PolarHBondContact O-N 3.46Å; E526-K528 PolarHBondContact O-N 3.01Å; E526-L529 PolarHBondContact O-N 3.1Å; E526-L529 VanDerWaalsContact O-N 3.16Å; E526-D530 PolarHBondContact O-N 3.3Å
527T67.3Low66.1Low81 Ų8196.7 Ų96.750%0.49749%0.491SS..Hα-helixtrans-63.8-36.6178.3570000113.9S523 S524 I525 L529 S531S523-T527 PolarHBondContact O-N 3.23Å; S523-T527 PolarHBondContact O-OG1 2.94Å; S524-T527 PolarHBondContact O-OG1 3.33Å; I525-T527 PolarHBondContact O-N 3.4Å; T527-L529 VanDerWaalsContact C-N 3.35Å; T527-S531 PolarHBondContact O-N 3.15Å; T527-S531 PolarHBondContact O-OG 3.16Å
528K71.1Confident65.9Low145 Ų14597.5 Ų97.563%0.6350%0.497SS*.Hα-helixtrans-68.3-35175.6-76.1-179.7178.8-166.60112.3S524 I525 E526 L532S524-K528 WeakPolarHBondContact O-CB 3.27Å; S524-K528 VanDerWaalsContact O-CG 3.28Å; S524-K528 WeakPolarHBondContact O-CG 3.44Å; S524-K528 PolarHBondContact O-N 2.9Å; I525-K528 PolarHBondContact O-N 2.92Å; E526-K528 PolarHBondContact O-N 3.01Å; K528-L532 WeakPolarHBondContact O-CB 3.38Å; K528-L532 PolarHBondContact O-N 3.1Å
529L70.8Confident65.6Low97 Ų9796.6 Ų96.651%0.50849%0.491SS..Hα-helixtrans-71.9-40.8178.9-150.6161.9000110.3I525 E526 T527 L532 L533I525-L529 VanDerWaalsContact O-CB 3.31Å; I525-L529 WeakPolarHBondContact O-CB 3.5Å; I525-L529 PolarHBondContact O-N 3.35Å; E526-L529 PolarHBondContact O-N 3.1Å; E526-L529 VanDerWaalsContact O-N 3.16Å; T527-L529 VanDerWaalsContact C-N 3.35Å; L529-L532 PolarHBondContact O-N 3.48Å; L529-L533 HydrophobicContact CD2-CD1 3.68Å; L529-L533 HydrophobicContact CD2-CG 4.15Å; L529-L533 WeakPolarHBondContact O-CB 3.46Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 3.36Å
530D68.3Low65.2Low86 Ų8696.5 Ų96.546%0.4649%0.494SS..Hα-helixtrans-60.4-44.7170.7-73.3-26.7000111.9E526 L532 L533 D534E526-D530 PolarHBondContact O-N 3.3Å; D530-L532 PolarHBondContact O-N 2.95Å; D530-L533 WeakPolarHBondContact O-CB 3.32Å; D530-L533 PolarHBondContact O-N 3.31Å; D530-D534 PolarHBondContact O-N 3.03Å
531S59.7Low64.6Low77 Ų7799.7 Ų99.754%0.53851%0.513SS..Hα-helixtrans-62.3-40.2175.8-580000112.8T527 D534 V535T527-S531 PolarHBondContact O-N 3.15Å; T527-S531 PolarHBondContact O-OG 3.16Å; S531-D534 PolarHBondContact O-N 3.2Å; S531-V535 WeakPolarHBondContact O-CG2 3.33Å; S531-V535 PolarHBondContact O-N 3.37Å
532L64.6Low64Low126 Ų126102.4 Ų102.466%0.6652%0.524SS*.Hα-helixtrans-65.2-40175.3-115.1159.2000111.7K528 L529 D530 Y536K528-L532 WeakPolarHBondContact O-CB 3.38Å; K528-L532 PolarHBondContact O-N 3.1Å; L529-L532 PolarHBondContact O-N 3.48Å; D530-L532 PolarHBondContact O-N 2.95Å; L532-Y536 VanDerWaalsContact O-CB 3.31Å; L532-Y536 WeakPolarHBondContact O-CB 3.4Å; L532-Y536 PolarHBondContact O-N 3.1Å
533L66.7Low63.1Low53 Ų53100 Ų10028%0.27752%0.515SS..Hα-helixtrans-64.3-38.6174.6-79.6166.8000112.3L529 D530 Y536 R537L529-L533 HydrophobicContact CD2-CD1 3.68Å; L529-L533 HydrophobicContact CD2-CG 4.15Å; L529-L533 WeakPolarHBondContact O-CB 3.46Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 3.36Å; D530-L533 WeakPolarHBondContact O-CB 3.32Å; D530-L533 PolarHBondContact O-N 3.31Å; L533-Y536 PolarHBondContact O-N 3.35Å; L533-R537 WeakPolarHBondContact O-CB 3.31Å; L533-R537 WeakPolarHBondContact O-CG 3.43Å; L533-R537 PolarHBondContact O-N 2.9Å
534D63.2Low62.6Low81 Ų81103.1 Ų103.143%0.43353%0.534SS..Hα-helixtrans-72.4-37.5177.8-79.2-18.9000112.8D530 S531 Y536 R537 Q538D530-D534 PolarHBondContact O-N 3.03Å; S531-D534 PolarHBondContact O-N 3.2Å; D534-Y536 VanDerWaalsContact C-N 3.35Å; D534-R537 PolarHBondContact O-N 3.08Å; D534-R537 WeakPolarHBondContact OD1-CD 3.48Å; D534-R537 IonicContact OD1-CZ 2.79Å; D534-R537 IonicContact OD1-NH1 2.68Å; D534-R537 PolarHBondContact OD1-NH1 3.06Å; D534-Q538 WeakPolarHBondContact O-CG 3.47Å; D534-Q538 PolarHBondContact O-N 3.37Å
535V69.3Low61.8Low76 Ų76106.7 Ų106.746%0.46156%0.559SS.*Hα-helixtrans-61.1-45.7168.71720000110.3S531 R537 Q538 V539S531-V535 WeakPolarHBondContact O-CG2 3.33Å; S531-V535 PolarHBondContact O-N 3.37Å; V535-R537 VanDerWaalsContact C-N 3.35Å; V535-R537 PolarHBondContact O-N 3.22Å; V535-Q538 PolarHBondContact O-N 2.9Å; V535-Q538 VanDerWaalsContact O-N 3.15Å; V535-V539 WeakPolarHBondContact O-CG2 3.37Å; V535-V539 PolarHBondContact O-N 3.01Å
536Y57.5Low60.6Low121 Ų121103.4 Ų103.448%0.47555%0.552SS.*Hα-helixtrans-63.8-38.2179.3-162.5-109.6000112.5E273 L532 L533 D534 V539 L540E273-Y536 WeakPolarHBondContact OE1-CE1 3.5Å; L532-Y536 VanDerWaalsContact O-CB 3.31Å; L532-Y536 WeakPolarHBondContact O-CB 3.4Å; L532-Y536 PolarHBondContact O-N 3.1Å; L533-Y536 PolarHBondContact O-N 3.35Å; D534-Y536 VanDerWaalsContact C-N 3.35Å; Y536-V539 PolarHBondContact O-N 3.02Å; Y536-L540 HydrophobicContact CD1-CD1 3.83Å; Y536-L540 HydrophobicContact CE1-CD1 3.49Å; Y536-L540 VanDerWaalsContact CE1-CD1 3.49Å; Y536-L540 HydrophobicContact CE2-CD1 4.42Å; Y536-L540 HydrophobicContact CG-CD1 4.43Å; Y536-L540 PolarHBondContact O-N 3.02Å
537R66.1Low59.7Low139 Ų139103 Ų10353%0.52555%0.552SS.*Hα-helixtrans-61-41.5171.4-76.5165.4-179.7155.33.6112.5L533 D534 V535 L540 Q541L533-R537 WeakPolarHBondContact O-CB 3.31Å; L533-R537 WeakPolarHBondContact O-CG 3.43Å; L533-R537 PolarHBondContact O-N 2.9Å; D534-R537 PolarHBondContact O-N 3.08Å; D534-R537 WeakPolarHBondContact OD1-CD 3.48Å; D534-R537 IonicContact OD1-CZ 2.79Å; D534-R537 IonicContact OD1-NH1 2.68Å; D534-R537 PolarHBondContact OD1-NH1 3.06Å; V535-R537 VanDerWaalsContact C-N 3.35Å; V535-R537 PolarHBondContact O-N 3.22Å; R537-L540 PolarHBondContact O-N 3.43Å; R537-Q541 WeakPolarHBondContact O-CG 3.48Å; R537-Q541 PolarHBondContact O-N 2.79Å
538Q57.3Low58.6Low132 Ų132102.5 Ų102.562%0.61755%0.553SS**Hα-helixtrans-66-38.2176.8-74.7-177.7-6.600112.2D534 V535 Q541 K542D534-Q538 WeakPolarHBondContact O-CG 3.47Å; D534-Q538 PolarHBondContact O-N 3.37Å; V535-Q538 PolarHBondContact O-N 2.9Å; V535-Q538 VanDerWaalsContact O-N 3.15Å; Q538-Q541 PolarHBondContact O-N 3.34Å; Q538-K542 PolarHBondContact O-N 3.48Å
539V60.3Low57.4Low62 Ų62103.5 Ų103.538%0.37656%0.564SS.*Hα-helixtrans-64.2-45.1173.5176.90000110.8V535 Y536 Q541 K542 G543 L547V535-V539 WeakPolarHBondContact O-CG2 3.37Å; V535-V539 PolarHBondContact O-N 3.01Å; Y536-V539 PolarHBondContact O-N 3.02Å; V539-Q541 VanDerWaalsContact C-N 3.31Å; V539-Q541 PolarHBondContact O-N 3.41Å; V539-K542 PolarHBondContact O-N 3.25Å; V539-G543 PolarHBondContact O-N 2.83Å; V539-L547 HydrophobicContact CG2-CD1 4.23Å
540L54Low56.1Low120 Ų120104 Ų10463%0.62858%0.576SS**Hα-helixtrans-62-34.8176.6-107.483.1000113.4Y536 R537Y536-L540 HydrophobicContact CD1-CD1 3.83Å; Y536-L540 HydrophobicContact CE1-CD1 3.49Å; Y536-L540 VanDerWaalsContact CE1-CD1 3.49Å; Y536-L540 HydrophobicContact CE2-CD1 4.42Å; Y536-L540 HydrophobicContact CG-CD1 4.43Å; Y536-L540 PolarHBondContact O-N 3.02Å; R537-L540 PolarHBondContact O-N 3.43Å
541Q54.8Low54.9Low168 Ų168103.5 Ų103.579%0.78558%0.579SS**Hα-helixtrans-78-20.5-177.9-77.8-176.4-8.100114.5R537 Q538 V539R537-Q541 WeakPolarHBondContact O-CG 3.48Å; R537-Q541 PolarHBondContact O-N 2.79Å; Q538-Q541 PolarHBondContact O-N 3.34Å; V539-Q541 VanDerWaalsContact C-N 3.31Å; V539-Q541 PolarHBondContact O-N 3.41Å
542K51.3Low54Low162 Ų162104.8 Ų104.870%0.70458%0.579SS**Hα-helixtrans-106.2-13.9-176.1-73.4-171173.5-174.30115.1Q538 V539Q538-K542 PolarHBondContact O-N 3.48Å; V539-K542 PolarHBondContact O-N 3.25Å
543G51.8Low53.1Low31 Ų31105 Ų10532%0.3259%0.588SS.*  trans69.7175.8-175.800000113.7V539 S545V539-G543 PolarHBondContact O-N 2.83Å; G543-S545 VanDerWaalsContact C-N 3.29Å; G543-S545 PolarHBondContact O-N 3.19Å
544P51.6Low52Low132 Ų132108.8 Ų108.886%0.85761%0.608SS**THydrogen-bonded Turntrans-67.5-24.1-167.4-21.633.9000114.9G546P544-G546 VanDerWaalsContact C-N 3.32Å; P544-G546 PolarHBondContact O-N 3.39Å
545S50.4Low50.8Low126 Ų126115 Ų11588%0.88163%0.631SS**THydrogen-bonded Turntrans-86.14.6-167.8-42.40000114.8G543G543-S545 VanDerWaalsContact C-N 3.29Å; G543-S545 PolarHBondContact O-N 3.19Å
546G52.4Low49Very low39 Ų39122 Ų12240%0.40266%0.659SS.*  trans-108.514.5-166.100000117.1P544P544-G546 VanDerWaalsContact C-N 3.32Å; P544-G546 PolarHBondContact O-N 3.39Å
547L45.3Very low48.6Very low108 Ų108122.1 Ų122.157%0.56567%0.668SS**  trans-128.597.4-173.9-71.7171.1000113V539V539-L547 HydrophobicContact CG2-CD1 4.23Å
548S43.7Very low47.7Very low72 Ų72121.2 Ų121.250%0.50368%0.676SS.*  trans-76.8138.5152.565.40000108.9S550 S551S548-S550 PolarHBondContact O-N 3.25Å; S548-S550 PolarHBondContact OG-OG 3.32Å; S548-S551 PolarHBondContact O-N 3.14Å; S548-S551 PolarHBondContact O-OG 3.43Å
549L45.9Very low47.1Very low166 Ų166120.6 Ų120.687%0.86968%0.679SS**THydrogen-bonded Turntrans-63.2-4.3178.7-97.5153.2000114.3
550S44.1Very low46.4Very low108 Ų108124.1 Ų124.176%0.75570%0.697SS**THydrogen-bonded Turntrans-86-5.2178.552.20000115.3S548S548-S550 PolarHBondContact O-N 3.25Å; S548-S550 PolarHBondContact OG-OG 3.32Å
551S43.8Very low45.9Very low74 Ų74124.3 Ų124.352%0.51770%0.701SS.*SBendtrans-105.815.3-174.672.50000115.4S548S548-S551 PolarHBondContact O-N 3.14Å; S548-S551 PolarHBondContact O-OG 3.43Å
552L40.9Very low45.3Very low104 Ų104121.4 Ų121.455%0.54570%0.696SS.*  trans-101.4111.9177.4-78.7167.3000110.8L554L552-L554 PolarHBondContact O-N 3.41Å
553P44.1Very low44.9Very low130 Ų130118.5 Ų118.584%0.84470%0.695SS**  trans-76.776.2169.832.9-33.3000109
554L43.4Very low44.3Very low133 Ų133125.2 Ų125.270%0.69672%0.724SS**  trans-140.428.5-178-119.9170.3000113.2L552L552-L554 PolarHBondContact O-N 3.41Å
555F38.8Very low43.7Very low211 Ų211124.7 Ų124.793%0.92571%0.713SS**  trans-148.670.6157.4-96.2-70.5000111.1
556E32.1Very low43.1Very low225 Ų225124.5 Ų124.5100%1.05170%0.698SS**  trans-144.90149.6-105.6-174.2161.400108.7Q482Q482-E556 PolarHBondContact NE2-O 3.37Å; Q482-E556 PolarHBondContact NE2-OXT 3.42Å

Retrieved 556 of 556 residues in 776.6 ms (Link to these results)

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