A0A077ZHH5_TRITR Loading...

Translation initiation factor eIF2B subunit beta

AlphaFold DB , UniProt , Accession A0A077ZHH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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
1M32.8Very low35.5Very low243 Ų243128.2 Ų128.2100%1.19777%0.768SS**  0106.90-76175.7168.700108R3M1-R3 PolarHBondContact O-N 2.93Å
2A32.6Very low39.2Very low103 Ų103121.6 Ų121.685%0.85173%0.732SS**  trans-66.9126.2-176.800000110A4A2-A4 PolarHBondContact O-N 3.11Å
3R32.1Very low42.9Very low236 Ų236116.2 Ų116.289%0.89171%0.708SS**  trans-71.5115.2174.3-77.3179.2172.3173.2-3.1108.4M1M1-R3 PolarHBondContact O-N 2.93Å
4A32.8Very low46.2Very low94 Ų94107.9 Ų107.978%0.77766%0.658SS**  trans-78.8131.1171.600000109.8A2A2-A4 PolarHBondContact O-N 3.11Å
5T34.3Very low49.1Very low93 Ų93105.8 Ų105.857%0.57164%0.641SS**  trans-81.1162168.7440000110.6D7 G8T5-D7 PolarHBondContact O-N 3.37Å; T5-G8 PolarHBondContact O-N 2.84Å
6A41.5Very low51.8Low105 Ų105105.6 Ų105.687%0.86863%0.631SS**THydrogen-bonded Turntrans-54.2-19-163.600000117.1
7D35.8Very low54.3Low148 Ų148100.2 Ų100.279%0.79160%0.597SS**THydrogen-bonded Turntrans-102.615.4-175.9-65.7-30.1000115.3T5 L9T5-D7 PolarHBondContact O-N 3.37Å; D7-L9 PolarHBondContact O-N 3.33Å
8G27.5Very low56.5Low64 Ų6494.8 Ų94.866%0.6657%0.565SS**  trans64.7-2.1162.600000117.3T5T5-G8 PolarHBondContact O-N 2.84Å
9L30.9Very low58.4Low145 Ų14591.8 Ų91.876%0.75955%0.546SS*.  trans-76.3129.2167.5-101.477.7000108.9D7 I11D7-L9 PolarHBondContact O-N 3.33Å; L9-I11 PolarHBondContact O-N 3.25Å; L9-I11 VanDerWaalsContact O-N 3.1Å
10P39.6Very low60.3Low118 Ų11888.7 Ų88.777%0.76653%0.526SS*.  trans-56.8123.4170.322.3-29.3000107.9S12P10-S12 PolarHBondContact O-N 2.8Å
11I50.7Low61.9Low61 Ų6185 Ų8531%0.31350%0.504SS..  trans-50115.2173.6-61.9170.7000106L9 A13 L15 Q16L9-I11 PolarHBondContact O-N 3.25Å; L9-I11 VanDerWaalsContact O-N 3.1Å; I11-A13 PolarHBondContact O-N 3.47Å; I11-L15 HydrophobicContact CG2-CB 3.6Å; I11-Q16 HydrophobicContact CG2-CB 3.92Å
12S80.2Confident64.6Low49 Ų4979.8 Ų79.834%0.34347%0.471SS..  trans-54.8144.5178.676.20000107.9P10 S14 L15 Q16P10-S12 PolarHBondContact O-N 2.8Å; S12-S14 PolarHBondContact O-N 2.79Å; S12-L15 PolarHBondContact O-N 3.19Å; S12-L15 WeakPolarHBondContact OG-CG 3.41Å; S12-L15 PolarHBondContact OG-N 3.1Å; S12-Q16 PolarHBondContact O-N 2.82Å
13A86.9Confident67.5Low51 Ų5182.2 Ų82.242%0.42146%0.459SS..Hα-helixtrans-52.1-31-178.500000112.1I11 F17I11-A13 PolarHBondContact O-N 3.47Å; A13-F17 PolarHBondContact O-N 3.11Å; A13-F17 VanDerWaalsContact O-N 3.13Å
14S88.9Confident70.2Confident1 Ų172.9 Ų72.91%0.00744%0.436CS..Hα-helixtrans-67.9-46.3174.3-430000113.5S12 Q16 F17 I18 R47 E62S12-S14 PolarHBondContact O-N 2.79Å; S14-Q16 VanDerWaalsContact C-N 3.27Å; S14-Q16 PolarHBondContact O-N 2.95Å; S14-F17 PolarHBondContact O-N 3.09Å; S14-I18 VanDerWaalsContact O-CG1 3.31Å; S14-I18 WeakPolarHBondContact O-CG1 3.47Å; S14-I18 PolarHBondContact O-N 3.26Å; S14-R47 PolarHBondContact OG-NH2 3.39Å; S14-R47 VanDerWaalsContact OG-NH2 3.11Å; S14-E62 WeakPolarHBondContact CB-OE2 3.41Å; S14-E62 VanDerWaalsContact OG-CD 3.25Å; S14-E62 PolarHBondContact OG-OE1 3.09Å; S14-E62 PolarHBondContact OG-OE2 3.42Å
15L90.2Very high73.1Confident76 Ų7676.2 Ų76.240%0.39843%0.429SS..Hα-helixtrans-62.8-36175.6-74.6170.9000111.7I11 S12 I18 N19I11-L15 HydrophobicContact CG2-CB 3.6Å; S12-L15 PolarHBondContact O-N 3.19Å; S12-L15 WeakPolarHBondContact OG-CG 3.41Å; S12-L15 PolarHBondContact OG-N 3.1Å; L15-I18 PolarHBondContact O-N 3.28Å; L15-N19 WeakPolarHBondContact O-CB 3.46Å; L15-N19 VanDerWaalsContact O-CG 3.24Å; L15-N19 PolarHBondContact O-N 2.81Å; L15-N19 PolarHBondContact O-ND2 3.25Å; L15-N19 VanDerWaalsContact O-ND2 3.14Å
16Q92.3Very high76Confident102 Ų10273.3 Ų73.348%0.47741%0.41SS..Hα-helixtrans-63-47174.6-175.1177.5-5.100110.9I11 S12 S14 I18 N19 D20I11-Q16 HydrophobicContact CG2-CB 3.92Å; S12-Q16 PolarHBondContact O-N 2.82Å; S14-Q16 VanDerWaalsContact C-N 3.27Å; S14-Q16 PolarHBondContact O-N 2.95Å; Q16-I18 PolarHBondContact O-N 3.12Å; Q16-N19 PolarHBondContact O-N 2.85Å; Q16-D20 PolarHBondContact O-N 3Å
17F93.8Very high78.4Confident15 Ų1572.4 Ų72.47%0.06639%0.394CS..Hα-helixtrans-60-44.4177.4-180-104.8000112.4A13 S14 N19 D20 I21 I26 A35 T36 F39 M66 V76A13-F17 PolarHBondContact O-N 3.11Å; A13-F17 VanDerWaalsContact O-N 3.13Å; S14-F17 PolarHBondContact O-N 3.09Å; F17-N19 VanDerWaalsContact C-N 3.33Å; F17-N19 PolarHBondContact O-N 3.13Å; F17-D20 PolarHBondContact O-N 2.94Å; F17-I21 HydrophobicContact CD1-CD1 4.33Å; F17-I21 HydrophobicContact CE1-CD1 3.64Å; F17-I21 HydrophobicContact CE2-CD1 4.32Å; F17-I21 HydrophobicContact CZ-CD1 3.63Å; F17-I21 HydrophobicContact CZ-CG1 4.48Å; F17-I21 PolarHBondContact O-N 3.38Å; F17-I26 HydrophobicContact CD2-CD1 4.32Å; F17-I26 HydrophobicContact CE2-CD1 4.05Å; F17-A35 HydrophobicContact CE2-CB 3.88Å; F17-A35 HydrophobicContact CZ-CB 4.43Å; F17-T36 WeakPolarHBondContact CZ-OG1 3.23Å; F17-F39 HydrophobicContact CB-CD2 3.75Å; F17-F39 HydrophobicContact CB-CE2 3.8Å; F17-F39 HydrophobicContact CB-CG 4.43Å; F17-F39 HydrophobicContact CD1-CD1 4.31Å; F17-F39 HydrophobicContact CD1-CD2 4.24Å; F17-F39 HydrophobicContact CD1-CG 4.09Å; F17-F39 HydrophobicContact CD2-CB 4.07Å; F17-F39 HydrophobicContact CD2-CD2 4.09Å; F17-F39 HydrophobicContact CD2-CG 4.19Å; F17-F39 HydrophobicContact CE1-CG 4.43Å; F17-F39 HydrophobicContact CE2-CB 4.04Å; F17-F39 HydrophobicContact CG-CB 4.33Å; F17-F39 AromaticContact CG-CD2 3.76Å; F17-F39 HydrophobicContact CG-CD2 3.76Å; F17-F39 HydrophobicContact CG-CE2 4.2Å; F17-F39 AromaticContact CG-CG 3.97Å; F17-F39 HydrophobicContact CG-CG 3.97Å; F17-F39 HydrophobicContact CZ-CB 4.26Å; F17-M66 HydrophobicContact CD1-CE 3.62Å; F17-M66 HydrophobicContact CD1-SD 4.29Å; F17-M66 HydrophobicContact CE1-CE 3.97Å; F17-M66 HydrophobicContact CE1-SD 4.16Å; F17-V76 HydrophobicContact CE1-CG1 4.19Å
18I93.9Very high81Confident2 Ų267.5 Ų67.51%0.0138%0.377CS..Hα-helixtrans-58.9-46.1175.2-69.4166.4000110.8S14 L15 Q16 D20 I21 R22 M65 M66 C69 L70S14-I18 VanDerWaalsContact O-CG1 3.31Å; S14-I18 WeakPolarHBondContact O-CG1 3.47Å; S14-I18 PolarHBondContact O-N 3.26Å; L15-I18 PolarHBondContact O-N 3.28Å; Q16-I18 PolarHBondContact O-N 3.12Å; I18-D20 VanDerWaalsContact C-N 3.34Å; I18-D20 PolarHBondContact O-N 2.77Å; I18-I21 PolarHBondContact O-N 3.01Å; I18-R22 WeakPolarHBondContact O-CB 3.27Å; I18-R22 PolarHBondContact O-N 3.34Å; I18-M65 HydrophobicContact CD1-CE 3.93Å; I18-M65 HydrophobicContact CD1-CG 4.24Å; I18-M65 HydrophobicContact CD1-SD 4.48Å; I18-M66 HydrophobicContact CD1-CG 4.32Å; I18-M66 HydrophobicContact CG1-CG 4.25Å; I18-C69 HydrophobicContact CD1-CB 3.99Å; I18-C69 HydrophobicContact CG1-CB 4.45Å; I18-C69 HydrophobicContact CG2-CB 3.67Å; I18-L70 HydrophobicContact CG1-CD1 4.44Å; I18-L70 HydrophobicContact CG2-CD1 4.38Å; I18-L70 HydrophobicContact CG2-CD2 4.26Å; I18-L70 HydrophobicContact CG2-CG 4.16Å
19N93.5Very high84.2Confident38 Ų3865.7 Ų65.720%0.20336%0.355CS..Hα-helixtrans-65.5-36.5178.3-76.2-30.4000112.2L15 Q16 F17 I21 R22 Y23L15-N19 WeakPolarHBondContact O-CB 3.46Å; L15-N19 VanDerWaalsContact O-CG 3.24Å; L15-N19 PolarHBondContact O-N 2.81Å; L15-N19 PolarHBondContact O-ND2 3.25Å; L15-N19 VanDerWaalsContact O-ND2 3.14Å; Q16-N19 PolarHBondContact O-N 2.85Å; F17-N19 VanDerWaalsContact C-N 3.33Å; F17-N19 PolarHBondContact O-N 3.13Å; N19-I21 VanDerWaalsContact C-N 3.3Å; N19-I21 PolarHBondContact O-N 3.4Å; N19-R22 PolarHBondContact O-N 2.93Å; N19-Y23 HydrophobicContact CB-CD2 3.93Å; N19-Y23 HydrophobicContact CB-CE2 3.89Å; N19-Y23 WeakPolarHBondContact O-CB 3.48Å; N19-Y23 WeakPolarHBondContact O-CD2 3.42Å; N19-Y23 PolarHBondContact O-N 2.74Å
20D95Very high87.3Confident30 Ų3062 Ų6216%0.1633%0.331CS..Hα-helixtrans-62.8-37.6177.4-69.4-23.1000111.7Q16 F17 I18 R25 I26Q16-D20 PolarHBondContact O-N 3Å; F17-D20 PolarHBondContact O-N 2.94Å; I18-D20 VanDerWaalsContact C-N 3.34Å; I18-D20 PolarHBondContact O-N 2.77Å; D20-R25 HydrophobicContact CB-CB 4.27Å; D20-R25 WeakPolarHBondContact O-CA 3.35Å; D20-R25 VanDerWaalsContact O-CB 3.32Å; D20-R25 WeakPolarHBondContact O-CB 3.43Å; D20-R25 PolarHBondContact O-N 2.94Å; D20-R25 VanDerWaalsContact OD1-CD 3.32Å; D20-R25 WeakPolarHBondContact OD1-CD 3.41Å; D20-R25 IonicContact OD1-CZ 3.21Å; D20-R25 IonicContact OD1-NE 3.36Å; D20-R25 IonicContact OD1-NH1 3.39Å; D20-R25 PolarHBondContact OD1-NH1 2.81Å; D20-I26 HydrophobicContact CB-CD1 3.87Å; D20-I26 HydrophobicContact CB-CG1 4.23Å; D20-I26 PolarHBondContact O-N 3.14Å; D20-I26 VanDerWaalsContact O-N 3.15Å
21I94.3Very high90Very high11 Ų1160.3 Ų60.36%0.05632%0.316CS..Hα-helixtrans-71.7-49.9172.8-63.6175.9000110.7F17 I18 N19 Y23 G24 I26 I32 L70 Q73 V76F17-I21 HydrophobicContact CD1-CD1 4.33Å; F17-I21 HydrophobicContact CE1-CD1 3.64Å; F17-I21 HydrophobicContact CE2-CD1 4.32Å; F17-I21 HydrophobicContact CZ-CD1 3.63Å; F17-I21 HydrophobicContact CZ-CG1 4.48Å; F17-I21 PolarHBondContact O-N 3.38Å; I18-I21 PolarHBondContact O-N 3.01Å; N19-I21 VanDerWaalsContact C-N 3.3Å; N19-I21 PolarHBondContact O-N 3.4Å; I21-Y23 VanDerWaalsContact C-N 3.31Å; I21-Y23 PolarHBondContact O-N 3.17Å; I21-G24 PolarHBondContact O-N 3.16Å; I21-I26 HydrophobicContact CG1-CB 4.29Å; I21-I26 HydrophobicContact CG1-CD1 4.35Å; I21-I32 HydrophobicContact CD1-CG2 4.25Å; I21-L70 HydrophobicContact CB-CD1 4.23Å; I21-L70 HydrophobicContact CD1-CD1 4.06Å; I21-L70 HydrophobicContact CG2-CD1 4.17Å; I21-L70 HydrophobicContact CG2-CD2 4.27Å; I21-Q73 HydrophobicContact CG2-CG 4.26Å; I21-V76 HydrophobicContact CD1-CG2 3.61Å
22R90.9Very high92.2Very high134 Ų13457.7 Ų57.751%0.50630%0.303SS..Hα-helixtrans-58.9-40-176.4-175.8179.7-69.5176.8-3.1113I18 N19 G24 C69 L70I18-R22 WeakPolarHBondContact O-CB 3.27Å; I18-R22 PolarHBondContact O-N 3.34Å; N19-R22 PolarHBondContact O-N 2.93Å; R22-G24 VanDerWaalsContact C-N 3.26Å; R22-G24 PolarHBondContact O-N 3.38Å; R22-C69 PolarHBondContact NH2-O 3.43Å; R22-L70 HydrophobicContact CB-CD2 4.34Å
23Y91.6Very high93Very high153 Ų15355.4 Ų55.460%0.629%0.286SS*.THydrogen-bonded Turntrans-8811.6178.8-63.4-59.1000113.3N19 I21 R25N19-Y23 HydrophobicContact CB-CD2 3.93Å; N19-Y23 HydrophobicContact CB-CE2 3.89Å; N19-Y23 WeakPolarHBondContact O-CB 3.48Å; N19-Y23 WeakPolarHBondContact O-CD2 3.42Å; N19-Y23 PolarHBondContact O-N 2.74Å; I21-Y23 VanDerWaalsContact C-N 3.31Å; I21-Y23 PolarHBondContact O-N 3.17Å; Y23-R25 VanDerWaalsContact C-N 3.28Å; Y23-R25 PolarHBondContact O-N 3.15Å
24G90.2Very high93.5Very high40 Ų4055.5 Ų55.541%0.41228%0.278SS..THydrogen-bonded Turntrans66.125.8175.500000114.3I21 R22 I26 T27I21-G24 PolarHBondContact O-N 3.16Å; R22-G24 VanDerWaalsContact C-N 3.26Å; R22-G24 PolarHBondContact O-N 3.38Å; G24-I26 VanDerWaalsContact C-N 3.34Å; G24-T27 VanDerWaalsContact O-CG2 3.3Å; G24-T27 WeakPolarHBondContact O-CG2 3.45Å
25R94Very high93.9Very high164 Ų16456.5 Ų56.562%0.61929%0.286SS*.SBendtrans-76.4-28.6170.7-57.5-179.6-170.81454.6111.3D20 Y23D20-R25 HydrophobicContact CB-CB 4.27Å; D20-R25 WeakPolarHBondContact O-CA 3.35Å; D20-R25 VanDerWaalsContact O-CB 3.32Å; D20-R25 WeakPolarHBondContact O-CB 3.43Å; D20-R25 PolarHBondContact O-N 2.94Å; D20-R25 VanDerWaalsContact OD1-CD 3.32Å; D20-R25 WeakPolarHBondContact OD1-CD 3.41Å; D20-R25 IonicContact OD1-CZ 3.21Å; D20-R25 IonicContact OD1-NE 3.36Å; D20-R25 IonicContact OD1-NH1 3.39Å; D20-R25 PolarHBondContact OD1-NH1 2.81Å; Y23-R25 VanDerWaalsContact C-N 3.28Å; Y23-R25 PolarHBondContact O-N 3.15Å
26I93.9Very high94.3Very high33 Ų3352.9 Ų52.917%0.16927%0.267CS..SBendtrans-117.1108.8171-56167.1000107.6F17 D20 I21 G24 N31 I32 A35F17-I26 HydrophobicContact CD2-CD1 4.32Å; F17-I26 HydrophobicContact CE2-CD1 4.05Å; D20-I26 HydrophobicContact CB-CD1 3.87Å; D20-I26 HydrophobicContact CB-CG1 4.23Å; D20-I26 PolarHBondContact O-N 3.14Å; D20-I26 VanDerWaalsContact O-N 3.15Å; I21-I26 HydrophobicContact CG1-CB 4.29Å; I21-I26 HydrophobicContact CG1-CD1 4.35Å; G24-I26 VanDerWaalsContact C-N 3.34Å; I26-N31 HydrophobicContact CG2-CB 4.19Å; I26-I32 HydrophobicContact CG2-CG1 3.96Å; I26-A35 HydrophobicContact CD1-CB 3.98Å; I26-A35 HydrophobicContact CG2-CB 4.1Å
27T91.6Very high94.5Very high86 Ų8648 Ų4853%0.52824%0.244SC..  trans-125.2153.5-177.6570000111.5G24 N31G24-T27 VanDerWaalsContact O-CG2 3.3Å; G24-T27 WeakPolarHBondContact O-CG2 3.45Å; T27-N31 VanDerWaalsContact O-CB 3.31Å; T27-N31 WeakPolarHBondContact O-CB 3.2Å; T27-N31 PolarHBondContact O-ND2 2.77Å
28G91.8Very high94.7Very high44 Ų4448.9 Ų48.945%0.45425%0.252SS..SBendtrans87.5136.6-178.300000112.6Y30 N31 I32G28-Y30 VanDerWaalsContact C-N 3.28Å; G28-Y30 PolarHBondContact O-N 3.31Å; G28-N31 PolarHBondContact O-N 3.14Å; G28-N31 VanDerWaalsContact O-N 3.13Å; G28-I32 WeakPolarHBondContact O-CG1 3.36Å; G28-I32 PolarHBondContact O-N 2.78Å
29S94.1Very high94.8Very high27 Ų2749.6 Ų49.619%0.18926%0.255CS..Hα-helixtrans-54.5-40.7-172.3-48.70000113.7A33 I75 K269S29-A33 WeakPolarHBondContact O-CB 3.32Å; S29-A33 PolarHBondContact O-N 3.25Å; S29-I75 VanDerWaalsContact CB-CD1 3.46Å; S29-K269 VanDerWaalsContact CB-CE 3.41Å; S29-K269 WeakPolarHBondContact OG-CE 3.39Å
30Y95.9Very high94.9Very high66 Ų6647.9 Ų47.926%0.25925%0.246SC..Hα-helixtrans-65.1-50.2177.8171.9-100.6000112.1G28 I32 A33 H34 L139 E140 Y268G28-Y30 VanDerWaalsContact C-N 3.28Å; G28-Y30 PolarHBondContact O-N 3.31Å; Y30-I32 VanDerWaalsContact C-N 3.28Å; Y30-I32 PolarHBondContact O-N 3.38Å; Y30-A33 PolarHBondContact O-N 3.03Å; Y30-H34 WeakPolarHBondContact O-CB 3.43Å; Y30-H34 PolarHBondContact O-N 2.98Å; Y30-L139 WeakPolarHBondContact CE2-O 3.45Å; Y30-E140 WeakPolarHBondContact OH-CG 3.49Å; Y30-Y268 WeakPolarHBondContact CB-OH 3.46Å; Y30-Y268 HydrophobicContact CD2-CE1 4.26Å
31N96.6Very high95Very high83 Ų8350.4 Ų50.444%0.44425%0.253SS..Hα-helixtrans-64.3-37.9-178-64.1-30.1000111I26 T27 G28 A35I26-N31 HydrophobicContact CG2-CB 4.19Å; T27-N31 VanDerWaalsContact O-CB 3.31Å; T27-N31 WeakPolarHBondContact O-CB 3.2Å; T27-N31 PolarHBondContact O-ND2 2.77Å; G28-N31 PolarHBondContact O-N 3.14Å; G28-N31 VanDerWaalsContact O-N 3.13Å; N31-A35 WeakPolarHBondContact O-CB 3.33Å; N31-A35 PolarHBondContact O-N 3.48Å
32I97Very high95Very high7 Ų756 Ų564%0.03628%0.277CS..Hα-helixtrans-61.9-51.6173.7-65.9169.1000109.7I21 I26 G28 Y30 H34 A35 T36 I75 V76I21-I32 HydrophobicContact CD1-CG2 4.25Å; I26-I32 HydrophobicContact CG2-CG1 3.96Å; G28-I32 WeakPolarHBondContact O-CG1 3.36Å; G28-I32 PolarHBondContact O-N 2.78Å; Y30-I32 VanDerWaalsContact C-N 3.28Å; Y30-I32 PolarHBondContact O-N 3.38Å; I32-H34 PolarHBondContact O-N 3.05Å; I32-A35 PolarHBondContact O-N 3.25Å; I32-T36 WeakPolarHBondContact O-CB 3.29Å; I32-T36 PolarHBondContact O-N 3.14Å; I32-T36 PolarHBondContact O-OG1 3.28Å; I32-I75 HydrophobicContact CG2-CB 4.39Å; I32-I75 HydrophobicContact CG2-CG2 4.24Å; I32-V76 HydrophobicContact CG2-CG2 3.52Å
33A97.3Very high95Very high0 Ų049.8 Ų49.80%025%0.254CS..Hα-helixtrans-56.7-52.1178.800000112.1S29 Y30 A35 T36 V37 I75 M79 L139 Y268S29-A33 WeakPolarHBondContact O-CB 3.32Å; S29-A33 PolarHBondContact O-N 3.25Å; Y30-A33 PolarHBondContact O-N 3.03Å; A33-A35 PolarHBondContact O-N 3.47Å; A33-T36 PolarHBondContact O-N 2.64Å; A33-V37 WeakPolarHBondContact O-CG2 3.48Å; A33-V37 PolarHBondContact O-N 3.26Å; A33-I75 HydrophobicContact CB-CG2 3.68Å; A33-M79 HydrophobicContact CB-CG 4Å; A33-M79 HydrophobicContact CB-SD 4.15Å; A33-L139 HydrophobicContact CB-CD2 4.31Å; A33-Y268 HydrophobicContact CB-CD1 4.49Å; A33-Y268 HydrophobicContact CB-CD2 3.92Å; A33-Y268 HydrophobicContact CB-CG 3.91Å
34H97.8Very high95.1Very high54 Ų5442.5 Ų42.525%0.2523%0.226CC..Hα-helixtrans-60.2-45.9179.5-179-82.1000111.9Y30 I32 T36 V37 C38 E140Y30-H34 WeakPolarHBondContact O-CB 3.43Å; Y30-H34 PolarHBondContact O-N 2.98Å; I32-H34 PolarHBondContact O-N 3.05Å; H34-T36 VanDerWaalsContact C-N 3.35Å; H34-T36 PolarHBondContact O-N 2.78Å; H34-V37 PolarHBondContact O-N 3.44Å; H34-C38 PolarHBondContact CE1-SG 2.92Å; H34-C38 WeakPolarHBondContact O-CB 3.34Å; H34-C38 PolarHBondContact O-N 3.4Å; H34-C38 PolarHBondContact O-SG 2.93Å; H34-C38 VanDerWaalsContact O-SG 3.34Å; H34-E140 IonicContact NE2-OE1 3.61Å
35A97.4Very high95.2Very high21 Ų2142.4 Ų42.417%0.17422%0.221CC..Hα-helixtrans-65.2-37.5178.800000112.1F17 I26 N31 I32 A33 C38 F39F17-A35 HydrophobicContact CE2-CB 3.88Å; F17-A35 HydrophobicContact CZ-CB 4.43Å; I26-A35 HydrophobicContact CD1-CB 3.98Å; I26-A35 HydrophobicContact CG2-CB 4.1Å; N31-A35 WeakPolarHBondContact O-CB 3.33Å; N31-A35 PolarHBondContact O-N 3.48Å; I32-A35 PolarHBondContact O-N 3.25Å; A33-A35 PolarHBondContact O-N 3.47Å; A35-C38 PolarHBondContact O-N 2.89Å; A35-F39 VanDerWaalsContact O-CB 3.27Å; A35-F39 WeakPolarHBondContact O-CB 3.27Å; A35-F39 PolarHBondContact O-N 3.03Å
36T97.3Very high95Very high0 Ų039.1 Ų39.10%022%0.219CC..Hα-helixtrans-63.9-44.4174.9-60.50000111.9F17 I32 A33 H34 F39 A40 V76 M79 I80F17-T36 WeakPolarHBondContact CZ-OG1 3.23Å; I32-T36 WeakPolarHBondContact O-CB 3.29Å; I32-T36 PolarHBondContact O-N 3.14Å; I32-T36 PolarHBondContact O-OG1 3.28Å; A33-T36 PolarHBondContact O-N 2.64Å; H34-T36 VanDerWaalsContact C-N 3.35Å; H34-T36 PolarHBondContact O-N 2.78Å; T36-F39 WeakPolarHBondContact O-CB 3.39Å; T36-F39 PolarHBondContact O-N 3.02Å; T36-A40 PolarHBondContact O-N 2.7Å; T36-V76 HydrophobicContact CG2-CG1 4.07Å; T36-V76 WeakPolarHBondContact CG2-O 3.36Å; T36-M79 HydrophobicContact CG2-CB 3.76Å; T36-I80 HydrophobicContact CG2-CD1 4.31Å; T36-I80 HydrophobicContact CG2-CG1 3.86Å
37V97.8Very high94.8Very high0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-66.6-40.9177.9178.70000111A33 H34 F39 A40 R41 M79 I83 V132 F135 L136 L139A33-V37 WeakPolarHBondContact O-CG2 3.48Å; A33-V37 PolarHBondContact O-N 3.26Å; H34-V37 PolarHBondContact O-N 3.44Å; V37-F39 VanDerWaalsContact C-N 3.31Å; V37-F39 PolarHBondContact O-N 2.91Å; V37-A40 PolarHBondContact O-N 3.33Å; V37-R41 WeakPolarHBondContact O-CB 3.47Å; V37-R41 PolarHBondContact O-N 3.32Å; V37-M79 HydrophobicContact CG2-CB 3.95Å; V37-M79 HydrophobicContact CG2-CG 4.1Å; V37-M79 HydrophobicContact CG2-SD 4.26Å; V37-I83 HydrophobicContact CG1-CD1 4.21Å; V37-I83 HydrophobicContact CG2-CD1 4.41Å; V37-V132 HydrophobicContact CG1-CG1 3.76Å; V37-F135 HydrophobicContact CG1-CD1 3.89Å; V37-F135 HydrophobicContact CG1-CE1 4.4Å; V37-F135 HydrophobicContact CG2-CD1 3.89Å; V37-F135 HydrophobicContact CG2-CE1 3.54Å; V37-L136 HydrophobicContact CB-CD2 3.69Å; V37-L136 HydrophobicContact CB-CG 4.31Å; V37-L136 HydrophobicContact CG1-CD1 4.2Å; V37-L136 HydrophobicContact CG1-CD2 3.5Å; V37-L136 VanDerWaalsContact CG1-CD2 3.5Å; V37-L136 HydrophobicContact CG1-CG 3.54Å; V37-L139 HydrophobicContact CB-CD1 4.18Å; V37-L139 HydrophobicContact CG2-CD1 3.64Å
38C97.3Very high94.6Very high33 Ų3347.3 Ų47.322%0.22324%0.244CC..Hα-helixtrans-61-39.4172.9-74.80000112.5H34 A35 K42H34-C38 PolarHBondContact CE1-SG 2.92Å; H34-C38 WeakPolarHBondContact O-CB 3.34Å; H34-C38 PolarHBondContact O-N 3.4Å; H34-C38 PolarHBondContact O-SG 2.93Å; H34-C38 VanDerWaalsContact O-SG 3.34Å; A35-C38 PolarHBondContact O-N 2.89Å; C38-K42 WeakPolarHBondContact O-CB 3.25Å; C38-K42 PolarHBondContact O-N 2.9Å
39F95.8Very high94.4Very high18 Ų1846.7 Ų46.78%0.07923%0.228CC..Hα-helixtrans-63.8-48.7175.5172.6-92.5000111.5F17 A35 T36 V37 R41 K42 I43 M66F17-F39 HydrophobicContact CB-CD2 3.75Å; F17-F39 HydrophobicContact CB-CE2 3.8Å; F17-F39 HydrophobicContact CB-CG 4.43Å; F17-F39 HydrophobicContact CD1-CD1 4.31Å; F17-F39 HydrophobicContact CD1-CD2 4.24Å; F17-F39 HydrophobicContact CD1-CG 4.09Å; F17-F39 HydrophobicContact CD2-CB 4.07Å; F17-F39 HydrophobicContact CD2-CD2 4.09Å; F17-F39 HydrophobicContact CD2-CG 4.19Å; F17-F39 HydrophobicContact CE1-CG 4.43Å; F17-F39 HydrophobicContact CE2-CB 4.04Å; F17-F39 HydrophobicContact CG-CB 4.33Å; F17-F39 AromaticContact CG-CD2 3.76Å; F17-F39 HydrophobicContact CG-CD2 3.76Å; F17-F39 HydrophobicContact CG-CE2 4.2Å; F17-F39 AromaticContact CG-CG 3.97Å; F17-F39 HydrophobicContact CG-CG 3.97Å; F17-F39 HydrophobicContact CZ-CB 4.26Å; A35-F39 VanDerWaalsContact O-CB 3.27Å; A35-F39 WeakPolarHBondContact O-CB 3.27Å; A35-F39 PolarHBondContact O-N 3.03Å; T36-F39 WeakPolarHBondContact O-CB 3.39Å; T36-F39 PolarHBondContact O-N 3.02Å; V37-F39 VanDerWaalsContact C-N 3.31Å; V37-F39 PolarHBondContact O-N 2.91Å; F39-R41 PolarHBondContact O-N 3.07Å; F39-K42 WeakPolarHBondContact O-CB 3.17Å; F39-K42 PolarHBondContact O-N 3.35Å; F39-K42 VanDerWaalsContact O-N 3.15Å; F39-I43 HydrophobicContact CD1-CD1 4.1Å; F39-I43 HydrophobicContact CE1-CD1 3.24Å; F39-I43 HydrophobicContact CE1-CG1 4.04Å; F39-I43 HydrophobicContact CE2-CD1 4.29Å; F39-I43 HydrophobicContact CZ-CD1 3.38Å; F39-I43 HydrophobicContact CZ-CG1 4.06Å; F39-I43 PolarHBondContact O-N 2.86Å; F39-M66 HydrophobicContact CD1-CE 3.56Å; F39-M66 HydrophobicContact CE1-CE 3.08Å; F39-M66 HydrophobicContact CG-CE 4.5Å; F39-M66 HydrophobicContact CZ-CE 3.69Å
40A95.4Very high94Very high1 Ų150.6 Ų50.61%0.00826%0.255CS..Hα-helixtrans-61.5-43.3176.700000111.7T36 V37 K42 I43 I44 I83T36-A40 PolarHBondContact O-N 2.7Å; V37-A40 PolarHBondContact O-N 3.33Å; A40-K42 VanDerWaalsContact C-N 3.3Å; A40-K42 PolarHBondContact O-N 3.37Å; A40-I43 WeakPolarHBondContact O-CB 3.07Å; A40-I43 PolarHBondContact O-N 3.28Å; A40-I43 VanDerWaalsContact O-N 3.13Å; A40-I44 WeakPolarHBondContact O-CD1 3.26Å; A40-I44 VanDerWaalsContact O-CG1 3.3Å; A40-I44 WeakPolarHBondContact O-CG1 3.27Å; A40-I44 PolarHBondContact O-N 3.22Å; A40-I83 HydrophobicContact CB-CD1 3.35Å
41R96.1Very high93.6Very high84 Ų8450 Ų5032%0.31726%0.26SS..Hα-helixtrans-55.6-45.4172.6-165.7-173.773.7-142.11.4111.5V37 F39 I43 I44 A45 V132 N133V37-R41 WeakPolarHBondContact O-CB 3.47Å; V37-R41 PolarHBondContact O-N 3.32Å; F39-R41 PolarHBondContact O-N 3.07Å; R41-I43 VanDerWaalsContact C-N 3.34Å; R41-I43 PolarHBondContact O-N 3.25Å; R41-I44 PolarHBondContact O-N 3.07Å; R41-A45 VanDerWaalsContact O-CB 3.29Å; R41-A45 WeakPolarHBondContact O-CB 3.32Å; R41-A45 PolarHBondContact O-N 2.88Å; R41-V132 HydrophobicContact CB-CG1 3.75Å; R41-V132 HydrophobicContact CG-CG1 3.91Å; R41-N133 WeakPolarHBondContact CD-OD1 3.45Å
42K94.7Very high93.2Very high127 Ų12746.9 Ų46.955%0.55225%0.245SC*.Hα-helixtrans-62.1-41.1177.6-174.4179.8179.6-179.20111.5C38 F39 A40 A45 T46C38-K42 WeakPolarHBondContact O-CB 3.25Å; C38-K42 PolarHBondContact O-N 2.9Å; F39-K42 WeakPolarHBondContact O-CB 3.17Å; F39-K42 PolarHBondContact O-N 3.35Å; F39-K42 VanDerWaalsContact O-N 3.15Å; A40-K42 VanDerWaalsContact C-N 3.3Å; A40-K42 PolarHBondContact O-N 3.37Å; K42-A45 PolarHBondContact O-N 3.36Å; K42-T46 HydrophobicContact CG-CG2 4.14Å; K42-T46 WeakPolarHBondContact O-CB 3.4Å; K42-T46 WeakPolarHBondContact O-CG2 3.32Å; K42-T46 PolarHBondContact O-N 2.87Å; K42-T46 PolarHBondContact O-OG1 3.47Å
43I92.4Very high92.8Very high5 Ų551.8 Ų51.83%0.02627%0.271CS..Hα-helixtrans-60.1-51.6174.4-72.9-170.2000110.8F39 A40 R41 A45 T46 R47 M58 L59 E62F39-I43 HydrophobicContact CD1-CD1 4.1Å; F39-I43 HydrophobicContact CE1-CD1 3.24Å; F39-I43 HydrophobicContact CE1-CG1 4.04Å; F39-I43 HydrophobicContact CE2-CD1 4.29Å; F39-I43 HydrophobicContact CZ-CD1 3.38Å; F39-I43 HydrophobicContact CZ-CG1 4.06Å; F39-I43 PolarHBondContact O-N 2.86Å; A40-I43 WeakPolarHBondContact O-CB 3.07Å; A40-I43 PolarHBondContact O-N 3.28Å; A40-I43 VanDerWaalsContact O-N 3.13Å; R41-I43 VanDerWaalsContact C-N 3.34Å; R41-I43 PolarHBondContact O-N 3.25Å; I43-A45 PolarHBondContact O-N 2.88Å; I43-T46 PolarHBondContact O-N 3.49Å; I43-R47 HydrophobicContact CG2-CG 4.31Å; I43-R47 WeakPolarHBondContact O-CB 3.31Å; I43-R47 PolarHBondContact O-N 3.24Å; I43-M58 HydrophobicContact CG2-CG 4.38Å; I43-M58 HydrophobicContact CG2-SD 3.59Å; I43-M58 VanDerWaalsContact CG2-SD 3.59Å; I43-L59 HydrophobicContact CG2-CD2 4.23Å; I43-E62 HydrophobicContact CD1-CG 3.7Å
44I92.4Very high92.5Very high0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-56.6-41.9179.5-65.2157.9000110.5A40 R41 W49 L55 L59 I83 K125 I128 I129 V132A40-I44 WeakPolarHBondContact O-CD1 3.26Å; A40-I44 VanDerWaalsContact O-CG1 3.3Å; A40-I44 WeakPolarHBondContact O-CG1 3.27Å; A40-I44 PolarHBondContact O-N 3.22Å; R41-I44 PolarHBondContact O-N 3.07Å; I44-W49 HydrophobicContact CG2-CZ2 4.41Å; I44-W49 PolarHBondContact O-NE1 2.99Å; I44-W49 VanDerWaalsContact O-NE1 3.16Å; I44-L55 HydrophobicContact CG1-CD1 4Å; I44-L55 HydrophobicContact CG2-CD2 4.5Å; I44-L59 HydrophobicContact CD1-CD1 4.39Å; I44-L59 HydrophobicContact CG1-CD1 4.35Å; I44-L59 HydrophobicContact CG1-CD2 4.46Å; I44-I83 HydrophobicContact CD1-CG2 4.01Å; I44-K125 WeakPolarHBondContact O-CE 3.4Å; I44-I128 HydrophobicContact CD1-CG2 3.99Å; I44-I128 HydrophobicContact CG2-CG2 3.98Å; I44-I129 HydrophobicContact CG2-CG1 4.06Å; I44-V132 HydrophobicContact CD1-CG2 4.15Å
45A92Very high92.2Very high38 Ų3850.4 Ų50.431%0.31427%0.271SS..Hα-helixtrans-75.2-32.4-17800000114.4R41 K42 I43 K125 I129R41-A45 VanDerWaalsContact O-CB 3.29Å; R41-A45 WeakPolarHBondContact O-CB 3.32Å; R41-A45 PolarHBondContact O-N 2.88Å; K42-A45 PolarHBondContact O-N 3.36Å; I43-A45 PolarHBondContact O-N 2.88Å; A45-K125 WeakPolarHBondContact O-CE 3.48Å; A45-K125 PolarHBondContact O-NZ 2.81Å; A45-I129 HydrophobicContact CB-CD1 3.91Å
46T90.7Very high91.9Very high95 Ų9550.1 Ų50.158%0.58327%0.267SS*.Hα-helixtrans-106.2-34.1-168.658.30000113.7K42 I43K42-T46 HydrophobicContact CG-CG2 4.14Å; K42-T46 WeakPolarHBondContact O-CB 3.4Å; K42-T46 WeakPolarHBondContact O-CG2 3.32Å; K42-T46 PolarHBondContact O-N 2.87Å; K42-T46 PolarHBondContact O-OG1 3.47Å; I43-T46 PolarHBondContact O-N 3.49Å
47R89.5Confident91.6Very high82 Ų8256.4 Ų56.431%0.30930%0.296SS..SBendtrans-78.4150.6-179.5-61.8-162.1-174.2173.14.7110.7S14 I43 M58 E62S14-R47 PolarHBondContact OG-NH2 3.39Å; S14-R47 VanDerWaalsContact OG-NH2 3.11Å; I43-R47 HydrophobicContact CG2-CG 4.31Å; I43-R47 WeakPolarHBondContact O-CB 3.31Å; I43-R47 PolarHBondContact O-N 3.24Å; R47-M58 HydrophobicContact CB-CE 3.91Å; R47-M58 HydrophobicContact CB-SD 3.7Å; R47-M58 VanDerWaalsContact CD-SD 3.59Å; R47-M58 HydrophobicContact CG-SD 4.21Å; R47-E62 IonicContact CZ-OE1 2.92Å; R47-E62 IonicContact NH1-OE1 2.66Å; R47-E62 PolarHBondContact NH1-OE1 2.87Å; R47-E62 IonicContact NH2-OE1 2.9Å; R47-E62 PolarHBondContact NH2-OE1 2.92Å
48K87.4Confident91.3Very high208 Ų20857.9 Ų57.990%0.90430%0.303SS*.  trans-86.1131.1177.1-64.9-176.2-179.4-178.70109.1
49W88.1Confident91.1Very high31 Ų3156.4 Ų56.412%0.11729%0.293CS..  trans-147.2143.7171.648.6-89.8000107.3I44 L55 M58 A121 W124 K125 I128I44-W49 HydrophobicContact CG2-CZ2 4.41Å; I44-W49 PolarHBondContact O-NE1 2.99Å; I44-W49 VanDerWaalsContact O-NE1 3.16Å; W49-L55 HydrophobicContact CB-CB 4.47Å; W49-L55 HydrophobicContact CD2-CB 3.92Å; W49-L55 HydrophobicContact CD2-CD1 4.44Å; W49-L55 HydrophobicContact CD2-CD2 4.37Å; W49-L55 HydrophobicContact CD2-CG 4.48Å; W49-L55 HydrophobicContact CE3-CB 4.07Å; W49-L55 HydrophobicContact CG-CB 4.11Å; W49-L55 HydrophobicContact CG-CD1 4.33Å; W49-L55 HydrophobicContact CH2-CD2 4.14Å; W49-L55 HydrophobicContact CZ2-CD2 3.9Å; W49-L55 HydrophobicContact CZ3-CD2 4.48Å; W49-M58 HydrophobicContact CB-CE 3.99Å; W49-M58 HydrophobicContact CG-CE 4.43Å; W49-A121 HydrophobicContact CZ3-CB 4.4Å; W49-W124 HydrophobicContact CH2-CB 3.81Å; W49-W124 HydrophobicContact CZ3-CB 4.06Å; W49-K125 HydrophobicContact CH2-CB 3.89Å; W49-K125 HydrophobicContact CZ2-CB 3.63Å; W49-K125 HydrophobicContact CZ2-CD 4.42Å; W49-K125 HydrophobicContact CZ2-CG 3.96Å; W49-I128 HydrophobicContact CH2-CD1 4.34Å
50S84.7Confident91Very high109 Ų10957.2 Ų57.276%0.76230%0.297SS*.SBendtrans-107.5-17.4-174.250.90000113.4
51S88Confident90.8Very high53 Ų5359.9 Ų59.937%0.37132%0.319SS..SBendtrans-138.5158.1178.964.20000110.1D53 G54 L55S51-D53 VanDerWaalsContact C-N 3.28Å; S51-D53 PolarHBondContact O-N 2.98Å; S51-G54 PolarHBondContact O-N 3.47Å; S51-G54 PolarHBondContact OG-N 2.82Å; S51-G54 VanDerWaalsContact OG-N 3.14Å; S51-L55 PolarHBondContact O-N 3.36Å; S51-L55 VanDerWaalsContact O-N 3.17Å
52V88.6Confident90.6Very high19 Ų1956.6 Ų56.612%0.11531%0.308CS..Hα-helixtrans-63.8-36.9175.9-176.30000110.8G54 L55 L56 I87 V91 W124V52-G54 VanDerWaalsContact C-N 3.32Å; V52-G54 PolarHBondContact O-N 2.85Å; V52-L55 WeakPolarHBondContact O-CB 3.4Å; V52-L55 PolarHBondContact O-N 3.42Å; V52-L55 VanDerWaalsContact O-N 3.09Å; V52-L56 HydrophobicContact CG1-CD1 4.44Å; V52-L56 HydrophobicContact CG1-CG 4.43Å; V52-L56 WeakPolarHBondContact O-CG 3.15Å; V52-L56 PolarHBondContact O-N 3.28Å; V52-I87 HydrophobicContact CG1-CG2 3.58Å; V52-V91 HydrophobicContact CB-CG2 4.36Å; V52-V91 HydrophobicContact CG1-CG2 3.68Å; V52-V91 HydrophobicContact CG2-CG2 4.39Å; V52-W124 HydrophobicContact CG2-CB 4.48Å; V52-W124 HydrophobicContact CG2-CD2 3.68Å; V52-W124 HydrophobicContact CG2-CE3 4.19Å; V52-W124 HydrophobicContact CG2-CG 3.8Å
53D88.6Confident90.4Very high110 Ų11050.8 Ų50.859%0.58828%0.283SS*.Hα-helixtrans-60.5-40.4174-67-45.8000112.6S51 L55 L56 Q57S51-D53 VanDerWaalsContact C-N 3.28Å; S51-D53 PolarHBondContact O-N 2.98Å; D53-L55 VanDerWaalsContact C-N 3.29Å; D53-L55 PolarHBondContact O-N 3.04Å; D53-L56 PolarHBondContact O-N 2.94Å; D53-Q57 WeakPolarHBondContact O-CG 3.12Å; D53-Q57 PolarHBondContact O-N 3.17Å
54G89.8Confident90.4Very high24 Ų2456.5 Ų56.525%0.24730%0.304CS..Hα-helixtrans-63.2-35.6174.800000112.5S51 V52 M58S51-G54 PolarHBondContact O-N 3.47Å; S51-G54 PolarHBondContact OG-N 2.82Å; S51-G54 VanDerWaalsContact OG-N 3.14Å; V52-G54 VanDerWaalsContact C-N 3.32Å; V52-G54 PolarHBondContact O-N 2.85Å; G54-M58 WeakPolarHBondContact O-CB 3.37Å; G54-M58 PolarHBondContact O-N 3.45Å; G54-M58 VanDerWaalsContact O-N 3.13Å
55L91.3Very high90.3Very high0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-68.7-44.5173.5175.861.6000112I44 W49 S51 V52 D53 Q57 M58 L59 I87 I128I44-L55 HydrophobicContact CG1-CD1 4Å; I44-L55 HydrophobicContact CG2-CD2 4.5Å; W49-L55 HydrophobicContact CB-CB 4.47Å; W49-L55 HydrophobicContact CD2-CB 3.92Å; W49-L55 HydrophobicContact CD2-CD1 4.44Å; W49-L55 HydrophobicContact CD2-CD2 4.37Å; W49-L55 HydrophobicContact CD2-CG 4.48Å; W49-L55 HydrophobicContact CE3-CB 4.07Å; W49-L55 HydrophobicContact CG-CB 4.11Å; W49-L55 HydrophobicContact CG-CD1 4.33Å; W49-L55 HydrophobicContact CH2-CD2 4.14Å; W49-L55 HydrophobicContact CZ2-CD2 3.9Å; W49-L55 HydrophobicContact CZ3-CD2 4.48Å; S51-L55 PolarHBondContact O-N 3.36Å; S51-L55 VanDerWaalsContact O-N 3.17Å; V52-L55 WeakPolarHBondContact O-CB 3.4Å; V52-L55 PolarHBondContact O-N 3.42Å; V52-L55 VanDerWaalsContact O-N 3.09Å; D53-L55 VanDerWaalsContact C-N 3.29Å; D53-L55 PolarHBondContact O-N 3.04Å; L55-Q57 PolarHBondContact O-N 3.26Å; L55-M58 WeakPolarHBondContact O-CB 3.43Å; L55-M58 PolarHBondContact O-N 3.14Å; L55-L59 HydrophobicContact CD1-CD1 4.15Å; L55-L59 HydrophobicContact CD1-CG 4.17Å; L55-L59 HydrophobicContact CG-CD1 4.25Å; L55-L59 PolarHBondContact O-N 3.31Å; L55-I87 HydrophobicContact CD2-CD1 3.94Å; L55-I87 HydrophobicContact CG-CD1 4.34Å; L55-I128 HydrophobicContact CD2-CD1 3.56Å
56L92.3Very high90.3Very high16 Ų1657.1 Ų57.18%0.08430%0.301CS..Hα-helixtrans-59.6-47.5177.5-71.4173.7000111V52 D53 M58 L59 Q60 L84 I87 R88V52-L56 HydrophobicContact CG1-CD1 4.44Å; V52-L56 HydrophobicContact CG1-CG 4.43Å; V52-L56 WeakPolarHBondContact O-CG 3.15Å; V52-L56 PolarHBondContact O-N 3.28Å; D53-L56 PolarHBondContact O-N 2.94Å; L56-M58 VanDerWaalsContact C-N 3.3Å; L56-M58 PolarHBondContact O-N 3.29Å; L56-L59 PolarHBondContact O-N 2.92Å; L56-Q60 WeakPolarHBondContact O-CB 3.49Å; L56-Q60 VanDerWaalsContact O-CG 3.25Å; L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 3.18Å; L56-L84 HydrophobicContact CB-CD2 4.45Å; L56-L84 HydrophobicContact CD2-CD2 3.65Å; L56-I87 HydrophobicContact CD2-CB 4.1Å; L56-I87 HydrophobicContact CD2-CG2 3.81Å; L56-I87 HydrophobicContact CG-CG2 4.3Å; L56-R88 HydrophobicContact CD1-CG 4.08Å; L56-R88 HydrophobicContact CD2-CG 4.11Å
57Q91.5Very high90.2Very high131 Ų13153.3 Ų53.361%0.61228%0.279SS*.Hα-helixtrans-60.4-40.3176.9-71.6176.116.200112D53 L55 Q60 A61D53-Q57 WeakPolarHBondContact O-CG 3.12Å; D53-Q57 PolarHBondContact O-N 3.17Å; L55-Q57 PolarHBondContact O-N 3.26Å; Q57-Q60 PolarHBondContact O-N 3.36Å; Q57-A61 WeakPolarHBondContact O-CB 3.33Å; Q57-A61 PolarHBondContact O-N 2.94Å
58M91.3Very high90.2Very high32 Ų3256.7 Ų56.716%0.15830%0.299CS..Hα-helixtrans-62.4-49.2177-176.2-167-53.500111.8I43 R47 W49 G54 L55 L56 Q60 A61 E62I43-M58 HydrophobicContact CG2-CG 4.38Å; I43-M58 HydrophobicContact CG2-SD 3.59Å; I43-M58 VanDerWaalsContact CG2-SD 3.59Å; R47-M58 HydrophobicContact CB-CE 3.91Å; R47-M58 HydrophobicContact CB-SD 3.7Å; R47-M58 VanDerWaalsContact CD-SD 3.59Å; R47-M58 HydrophobicContact CG-SD 4.21Å; W49-M58 HydrophobicContact CB-CE 3.99Å; W49-M58 HydrophobicContact CG-CE 4.43Å; G54-M58 WeakPolarHBondContact O-CB 3.37Å; G54-M58 PolarHBondContact O-N 3.45Å; G54-M58 VanDerWaalsContact O-N 3.13Å; L55-M58 WeakPolarHBondContact O-CB 3.43Å; L55-M58 PolarHBondContact O-N 3.14Å; L56-M58 VanDerWaalsContact C-N 3.3Å; L56-M58 PolarHBondContact O-N 3.29Å; M58-Q60 VanDerWaalsContact C-N 3.33Å; M58-Q60 PolarHBondContact O-N 3.24Å; M58-A61 PolarHBondContact O-N 2.92Å; M58-E62 WeakPolarHBondContact O-CG 3.41Å; M58-E62 PolarHBondContact O-N 3.07Å; M58-E62 VanDerWaalsContact O-N 3.08Å
59L93.5Very high90.4Very high1 Ų148.4 Ų48.41%0.00527%0.267CS..Hα-helixtrans-66.8-35179.1-72.3176.3000112I43 I44 L55 L56 E62 C63 I80 I83 L84 I87I43-L59 HydrophobicContact CG2-CD2 4.23Å; I44-L59 HydrophobicContact CD1-CD1 4.39Å; I44-L59 HydrophobicContact CG1-CD1 4.35Å; I44-L59 HydrophobicContact CG1-CD2 4.46Å; L55-L59 HydrophobicContact CD1-CD1 4.15Å; L55-L59 HydrophobicContact CD1-CG 4.17Å; L55-L59 HydrophobicContact CG-CD1 4.25Å; L55-L59 PolarHBondContact O-N 3.31Å; L56-L59 PolarHBondContact O-N 2.92Å; L59-E62 PolarHBondContact O-N 3.21Å; L59-C63 WeakPolarHBondContact O-CB 3.4Å; L59-C63 PolarHBondContact O-N 3.28Å; L59-I80 HydrophobicContact CB-CG2 4.37Å; L59-I83 HydrophobicContact CD1-CG2 4.05Å; L59-L84 HydrophobicContact CB-CD2 3.59Å; L59-L84 HydrophobicContact CB-CG 4.21Å; L59-L84 HydrophobicContact CD1-CD2 4.24Å; L59-I87 HydrophobicContact CD1-CD1 3.51Å
60Q92.8Very high90.5Very high35 Ų3547.6 Ų47.616%0.16426%0.264CS..Hα-helixtrans-64.2-42.4172.8-75.9176.3-25.600112.1L56 Q57 M58 E62 C63 R64 L84 D346L56-Q60 WeakPolarHBondContact O-CB 3.49Å; L56-Q60 VanDerWaalsContact O-CG 3.25Å; L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 3.18Å; Q57-Q60 PolarHBondContact O-N 3.36Å; M58-Q60 VanDerWaalsContact C-N 3.33Å; M58-Q60 PolarHBondContact O-N 3.24Å; Q60-E62 VanDerWaalsContact C-N 3.34Å; Q60-E62 PolarHBondContact O-N 2.83Å; Q60-C63 WeakPolarHBondContact O-CB 3.32Å; Q60-C63 PolarHBondContact O-N 3.47Å; Q60-R64 WeakPolarHBondContact O-CG 3.18Å; Q60-R64 PolarHBondContact O-N 3.26Å; Q60-L84 HydrophobicContact CG-CD1 3.71Å; Q60-L84 HydrophobicContact CG-CD2 4.01Å; Q60-D346 PolarHBondContact NE2-OD1 3.12Å
61A91.5Very high90.6Very high57 Ų5746.7 Ų46.747%0.47126%0.256SS..Hα-helixtrans-61.9-42.6176.100000111.6Q57 M58 R64 M65Q57-A61 WeakPolarHBondContact O-CB 3.33Å; Q57-A61 PolarHBondContact O-N 2.94Å; M58-A61 PolarHBondContact O-N 2.92Å; A61-R64 PolarHBondContact O-N 3.13Å; A61-M65 PolarHBondContact O-N 2.98Å; A61-M65 VanDerWaalsContact O-N 3.1Å
62E91Very high90.5Very high16 Ų1647.4 Ų47.48%0.07525%0.252CS..Hα-helixtrans-63.5-42.3173.8-65.9-70.3158.400111.8S14 I43 R47 M58 L59 Q60 R64 M65 M66S14-E62 WeakPolarHBondContact CB-OE2 3.41Å; S14-E62 VanDerWaalsContact OG-CD 3.25Å; S14-E62 PolarHBondContact OG-OE1 3.09Å; S14-E62 PolarHBondContact OG-OE2 3.42Å; I43-E62 HydrophobicContact CD1-CG 3.7Å; R47-E62 IonicContact CZ-OE1 2.92Å; R47-E62 IonicContact NH1-OE1 2.66Å; R47-E62 PolarHBondContact NH1-OE1 2.87Å; R47-E62 IonicContact NH2-OE1 2.9Å; R47-E62 PolarHBondContact NH2-OE1 2.92Å; M58-E62 WeakPolarHBondContact O-CG 3.41Å; M58-E62 PolarHBondContact O-N 3.07Å; M58-E62 VanDerWaalsContact O-N 3.08Å; L59-E62 PolarHBondContact O-N 3.21Å; Q60-E62 VanDerWaalsContact C-N 3.34Å; Q60-E62 PolarHBondContact O-N 2.83Å; E62-R64 PolarHBondContact O-N 3.11Å; E62-M65 PolarHBondContact O-N 2.92Å; E62-M65 VanDerWaalsContact OE2-CE 3.31Å; E62-M65 WeakPolarHBondContact OE2-CE 3.09Å; E62-M66 WeakPolarHBondContact O-CB 3.25Å; E62-M66 VanDerWaalsContact O-CG 3.29Å; E62-M66 WeakPolarHBondContact O-CG 3.43Å; E62-M66 PolarHBondContact O-N 3.47Å
63C92Very high90.6Very high5 Ų549.2 Ų49.23%0.03426%0.259CS..Hα-helixtrans-60.2-45.6177.1-1700000111.9L59 Q60 M66 A67 I80L59-C63 WeakPolarHBondContact O-CB 3.4Å; L59-C63 PolarHBondContact O-N 3.28Å; Q60-C63 WeakPolarHBondContact O-CB 3.32Å; Q60-C63 PolarHBondContact O-N 3.47Å; C63-M66 PolarHBondContact O-N 3.26Å; C63-A67 WeakPolarHBondContact O-CB 3.19Å; C63-A67 PolarHBondContact O-N 2.79Å; C63-I80 HydrophobicContact CB-CB 4.32Å; C63-I80 HydrophobicContact CB-CG2 3.83Å
64R90.8Very high90.7Very high124 Ų12444.4 Ų44.447%0.46823%0.234SC..Hα-helixtrans-62.2-48.2178.6-71.1178.6-162.1-1744.5111.5Q60 A61 E62 M66 A67 E68Q60-R64 WeakPolarHBondContact O-CG 3.18Å; Q60-R64 PolarHBondContact O-N 3.26Å; A61-R64 PolarHBondContact O-N 3.13Å; E62-R64 PolarHBondContact O-N 3.11Å; R64-M66 VanDerWaalsContact C-N 3.28Å; R64-M66 PolarHBondContact O-N 3.22Å; R64-A67 WeakPolarHBondContact O-CB 3.22Å; R64-A67 PolarHBondContact O-N 2.89Å; R64-A67 VanDerWaalsContact O-N 3.15Å; R64-E68 WeakPolarHBondContact O-CG 3.35Å; R64-E68 PolarHBondContact O-N 3.32Å
65M91.3Very high90.9Very high51 Ų5143.3 Ų43.325%0.25122%0.222SC..Hα-helixtrans-60.2-39177.4179.4-175.969.100111.9I18 A61 E62 C69I18-M65 HydrophobicContact CD1-CE 3.93Å; I18-M65 HydrophobicContact CD1-CG 4.24Å; I18-M65 HydrophobicContact CD1-SD 4.48Å; A61-M65 PolarHBondContact O-N 2.98Å; A61-M65 VanDerWaalsContact O-N 3.1Å; E62-M65 PolarHBondContact O-N 2.92Å; E62-M65 VanDerWaalsContact OE2-CE 3.31Å; E62-M65 WeakPolarHBondContact OE2-CE 3.09Å; M65-C69 VanDerWaalsContact O-CB 3.31Å; M65-C69 WeakPolarHBondContact O-CB 3.14Å; M65-C69 PolarHBondContact O-N 3.14Å; M65-C69 PolarHBondContact O-SG 2.96Å
66M91.3Very high91.1Very high0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-68.9-38.9175.4-71.3-172.7-172.300112.8F17 I18 F39 E62 C63 R64 E68 C69 L70 V76 T77 I80F17-M66 HydrophobicContact CD1-CE 3.62Å; F17-M66 HydrophobicContact CD1-SD 4.29Å; F17-M66 HydrophobicContact CE1-CE 3.97Å; F17-M66 HydrophobicContact CE1-SD 4.16Å; I18-M66 HydrophobicContact CD1-CG 4.32Å; I18-M66 HydrophobicContact CG1-CG 4.25Å; F39-M66 HydrophobicContact CD1-CE 3.56Å; F39-M66 HydrophobicContact CE1-CE 3.08Å; F39-M66 HydrophobicContact CG-CE 4.5Å; F39-M66 HydrophobicContact CZ-CE 3.69Å; E62-M66 WeakPolarHBondContact O-CB 3.25Å; E62-M66 VanDerWaalsContact O-CG 3.29Å; E62-M66 WeakPolarHBondContact O-CG 3.43Å; E62-M66 PolarHBondContact O-N 3.47Å; C63-M66 PolarHBondContact O-N 3.26Å; R64-M66 VanDerWaalsContact C-N 3.28Å; R64-M66 PolarHBondContact O-N 3.22Å; M66-E68 VanDerWaalsContact C-N 3.34Å; M66-C69 PolarHBondContact O-N 3.21Å; M66-L70 WeakPolarHBondContact O-CA 3.44Å; M66-L70 WeakPolarHBondContact O-CB 3.47Å; M66-L70 PolarHBondContact O-N 3.3Å; M66-V76 HydrophobicContact CB-CG1 4.05Å; M66-V76 HydrophobicContact CG-CG1 4.18Å; M66-V76 HydrophobicContact SD-CG1 3.28Å; M66-V76 WeakPolarHBondContact SD-CG1 3.29Å; M66-T77 HydrophobicContact CB-CG2 4.46Å; M66-I80 HydrophobicContact CE-CD1 4.09Å; M66-I80 HydrophobicContact SD-CD1 3.4Å; M66-I80 WeakPolarHBondContact SD-CD1 3.36Å
67A89.7Confident91.2Very high16 Ų1642.8 Ų42.813%0.13222%0.22CC..Hα-helixtrans-60.3-44.5175.400000111.4C63 R64 P71 T77C63-A67 WeakPolarHBondContact O-CB 3.19Å; C63-A67 PolarHBondContact O-N 2.79Å; R64-A67 WeakPolarHBondContact O-CB 3.22Å; R64-A67 PolarHBondContact O-N 2.89Å; R64-A67 VanDerWaalsContact O-N 3.15Å; A67-P71 WeakPolarHBondContact O-CA 3.18Å; A67-T77 HydrophobicContact CB-CG2 3.65Å
68E89.6Confident91.3Very high153 Ų15336.6 Ų36.672%0.71519%0.191SC*.Hα-helixtrans-66.9-40.2177.4-70.3172-170.500112.3R64 M66R64-E68 WeakPolarHBondContact O-CG 3.35Å; R64-E68 PolarHBondContact O-N 3.32Å; M66-E68 VanDerWaalsContact C-N 3.34Å
69C90.9Very high91.5Very high34 Ų3435 Ų3523%0.2318%0.183CC..Hα-helixtrans-81.8-23.8-176.3-70.40000114.2I18 R22 M65 M66I18-C69 HydrophobicContact CD1-CB 3.99Å; I18-C69 HydrophobicContact CG1-CB 4.45Å; I18-C69 HydrophobicContact CG2-CB 3.67Å; R22-C69 PolarHBondContact NH2-O 3.43Å; M65-C69 VanDerWaalsContact O-CB 3.31Å; M65-C69 WeakPolarHBondContact O-CB 3.14Å; M65-C69 PolarHBondContact O-N 3.14Å; M65-C69 PolarHBondContact O-SG 2.96Å; M66-C69 PolarHBondContact O-N 3.21Å
70L91.1Very high91.6Very high13 Ų1335 Ų357%0.06818%0.183CC..  trans-137.258.8-173.9-58.1170.9000111.2I18 I21 R22 M66 K72 Q73 V76I18-L70 HydrophobicContact CG1-CD1 4.44Å; I18-L70 HydrophobicContact CG2-CD1 4.38Å; I18-L70 HydrophobicContact CG2-CD2 4.26Å; I18-L70 HydrophobicContact CG2-CG 4.16Å; I21-L70 HydrophobicContact CB-CD1 4.23Å; I21-L70 HydrophobicContact CD1-CD1 4.06Å; I21-L70 HydrophobicContact CG2-CD1 4.17Å; I21-L70 HydrophobicContact CG2-CD2 4.27Å; R22-L70 HydrophobicContact CB-CD2 4.34Å; M66-L70 WeakPolarHBondContact O-CA 3.44Å; M66-L70 WeakPolarHBondContact O-CB 3.47Å; M66-L70 PolarHBondContact O-N 3.3Å; L70-K72 PolarHBondContact O-N 3.36Å; L70-K72 VanDerWaalsContact O-N 3.08Å; L70-Q73 HydrophobicContact CB-CB 4.1Å; L70-Q73 HydrophobicContact CB-CG 4.47Å; L70-Q73 PolarHBondContact O-N 2.88Å; L70-V76 HydrophobicContact CD1-CG2 4.35Å
71P86.6Confident91.7Very high90 Ų9033.6 Ų33.658%0.58418%0.176SC*.THydrogen-bonded Turntrans-60.2-27.9-170.523.1-34.5000114A67 L74A67-P71 WeakPolarHBondContact O-CA 3.18Å; P71-L74 WeakPolarHBondContact O-CD2 3.31Å
72K86Confident91.9Very high68 Ų6831.2 Ų31.230%0.29616%0.155SC..THydrogen-bonded Turntrans-91.5-4.3-178.4-55.2-170.6-177.1-169.50114.4L70 R242 N284 E285L70-K72 PolarHBondContact O-N 3.36Å; L70-K72 VanDerWaalsContact O-N 3.08Å; K72-R242 PolarHBondContact O-NH2 3.49Å; K72-N284 PolarHBondContact NZ-O 2.97Å; K72-E285 HydrophobicContact CD-CB 3.94Å; K72-E285 HydrophobicContact CD-CG 3.93Å
73Q89.9Confident92.1Very high57 Ų5730.4 Ų30.427%0.26615%0.151SC..  trans-106.169-178.7-65.3-68.2-15.500110.3I21 L70 I75 V76I21-Q73 HydrophobicContact CG2-CG 4.26Å; L70-Q73 HydrophobicContact CB-CB 4.1Å; L70-Q73 HydrophobicContact CB-CG 4.47Å; L70-Q73 PolarHBondContact O-N 2.88Å; Q73-I75 PolarHBondContact O-N 3.01Å; Q73-V76 HydrophobicContact CB-CG2 4.15Å; Q73-V76 PolarHBondContact O-N 3.41Å; Q73-V76 VanDerWaalsContact O-N 3.13Å
74L91.1Very high92.2Very high10 Ų1030.3 Ų30.35%0.05215%0.15CC..Hα-helixtrans-64.6-25.1-173.2-51.5-176.2000112.6P71 V76 T77 N78 E234 T271 M273P71-L74 WeakPolarHBondContact O-CD2 3.31Å; L74-V76 PolarHBondContact O-N 3.03Å; L74-T77 PolarHBondContact O-N 3.41Å; L74-T77 PolarHBondContact O-OG1 3.15Å; L74-N78 WeakPolarHBondContact O-CB 3.25Å; L74-N78 PolarHBondContact O-N 2.96Å; L74-N78 PolarHBondContact O-ND2 3.35Å; L74-N78 VanDerWaalsContact O-ND2 3.16Å; L74-E234 VanDerWaalsContact CB-OE1 3.27Å; L74-E234 WeakPolarHBondContact CB-OE1 3.15Å; L74-E234 VanDerWaalsContact CD1-OE2 3.23Å; L74-E234 WeakPolarHBondContact CD1-OE2 3.44Å; L74-E234 PolarHBondContact N-OE1 3.13Å; L74-T271 HydrophobicContact CD1-CG2 4.13Å; L74-M273 HydrophobicContact CD1-CB 4.49Å; L74-M273 HydrophobicContact CD1-CE 4.41Å; L74-M273 HydrophobicContact CD1-SD 3.72Å; L74-M273 HydrophobicContact CD2-CE 3.77Å; L74-M273 HydrophobicContact CD2-SD 4Å
75I94.6Very high92.4Very high1 Ų125.8 Ų25.81%0.00513%0.134CC..Hα-helixtrans-54.2-39.7176.1-58.9169.4000110.9S29 I32 A33 Q73 N78 M79 Y268S29-I75 VanDerWaalsContact CB-CD1 3.46Å; I32-I75 HydrophobicContact CG2-CB 4.39Å; I32-I75 HydrophobicContact CG2-CG2 4.24Å; A33-I75 HydrophobicContact CB-CG2 3.68Å; Q73-I75 PolarHBondContact O-N 3.01Å; I75-N78 PolarHBondContact O-N 3.26Å; I75-M79 HydrophobicContact CG2-CG 4.31Å; I75-M79 VanDerWaalsContact O-CG 3.31Å; I75-M79 WeakPolarHBondContact O-CG 3.27Å; I75-M79 PolarHBondContact O-N 2.83Å; I75-Y268 HydrophobicContact CG2-CD2 4.47Å
76V95Very high92.5Very high0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-63.2-53.6-178.4179.30000110.9F17 I21 I32 T36 M66 L70 Q73 L74 N78 M79 I80F17-V76 HydrophobicContact CE1-CG1 4.19Å; I21-V76 HydrophobicContact CD1-CG2 3.61Å; I32-V76 HydrophobicContact CG2-CG2 3.52Å; T36-V76 HydrophobicContact CG2-CG1 4.07Å; T36-V76 WeakPolarHBondContact CG2-O 3.36Å; M66-V76 HydrophobicContact CB-CG1 4.05Å; M66-V76 HydrophobicContact CG-CG1 4.18Å; M66-V76 HydrophobicContact SD-CG1 3.28Å; M66-V76 WeakPolarHBondContact SD-CG1 3.29Å; L70-V76 HydrophobicContact CD1-CG2 4.35Å; Q73-V76 HydrophobicContact CB-CG2 4.15Å; Q73-V76 PolarHBondContact O-N 3.41Å; Q73-V76 VanDerWaalsContact O-N 3.13Å; L74-V76 PolarHBondContact O-N 3.03Å; V76-N78 VanDerWaalsContact C-N 3.31Å; V76-N78 PolarHBondContact O-N 3.12Å; V76-M79 PolarHBondContact O-N 3.1Å; V76-I80 PolarHBondContact O-N 3.05Å
77T93.2Very high92.6Very high4 Ų425.9 Ų25.93%0.02513%0.134CC..Hα-helixtrans-65.7-39.1-179.454.20000110.8M66 A67 L74 M79 I80 R81M66-T77 HydrophobicContact CB-CG2 4.46Å; A67-T77 HydrophobicContact CB-CG2 3.65Å; L74-T77 PolarHBondContact O-N 3.41Å; L74-T77 PolarHBondContact O-OG1 3.15Å; T77-M79 PolarHBondContact O-N 2.73Å; T77-I80 PolarHBondContact O-N 3.43Å; T77-R81 WeakPolarHBondContact O-CG 3.33Å; T77-R81 PolarHBondContact O-N 3.05Å
78N93.8Very high92.6Very high1 Ų126.8 Ų26.81%0.00513%0.134CC..Hα-helixtrans-64.4-39.3179.5-72.3-16.5000113.2L74 I75 V76 I80 R81 R82 T271 P272 Y342L74-N78 WeakPolarHBondContact O-CB 3.25Å; L74-N78 PolarHBondContact O-N 2.96Å; L74-N78 PolarHBondContact O-ND2 3.35Å; L74-N78 VanDerWaalsContact O-ND2 3.16Å; I75-N78 PolarHBondContact O-N 3.26Å; V76-N78 VanDerWaalsContact C-N 3.31Å; V76-N78 PolarHBondContact O-N 3.12Å; N78-I80 VanDerWaalsContact C-N 3.31Å; N78-I80 PolarHBondContact O-N 3.11Å; N78-R81 PolarHBondContact O-N 3.35Å; N78-R81 PolarHBondContact OD1-NH1 2.74Å; N78-R82 WeakPolarHBondContact O-CG 3.31Å; N78-R82 PolarHBondContact O-N 3.09Å; N78-T271 WeakPolarHBondContact ND2-CA 3.44Å; N78-T271 WeakPolarHBondContact ND2-CB 3.22Å; N78-T271 PolarHBondContact ND2-OG1 3.13Å; N78-P272 WeakPolarHBondContact OD1-CD 3.31Å; N78-Y342 HydrophobicContact CB-CE1 4.04Å; N78-Y342 WeakPolarHBondContact CB-OH 3.44Å
79M96.4Very high92.6Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-65.2-37.1176.2-71.5-49.392.700111.7A33 T36 V37 I75 V76 T77 R82 I83 F135 L139 Y268A33-M79 HydrophobicContact CB-CG 4Å; A33-M79 HydrophobicContact CB-SD 4.15Å; T36-M79 HydrophobicContact CG2-CB 3.76Å; V37-M79 HydrophobicContact CG2-CB 3.95Å; V37-M79 HydrophobicContact CG2-CG 4.1Å; V37-M79 HydrophobicContact CG2-SD 4.26Å; I75-M79 HydrophobicContact CG2-CG 4.31Å; I75-M79 VanDerWaalsContact O-CG 3.31Å; I75-M79 WeakPolarHBondContact O-CG 3.27Å; I75-M79 PolarHBondContact O-N 2.83Å; V76-M79 PolarHBondContact O-N 3.1Å; T77-M79 PolarHBondContact O-N 2.73Å; M79-R82 PolarHBondContact O-N 2.8Å; M79-I83 WeakPolarHBondContact O-CG1 3.37Å; M79-I83 PolarHBondContact O-N 3.31Å; M79-F135 HydrophobicContact SD-CE1 4.1Å; M79-F135 HydrophobicContact SD-CZ 3.85Å; M79-L139 HydrophobicContact SD-CD2 4.37Å; M79-Y268 VanDerWaalsContact CE-CB 3.49Å
80I95.3Very high92.3Very high1 Ų123.3 Ų23.31%0.00512%0.117CC..Hα-helixtrans-68.4-41.8175.1-61.4175.5000110.8T36 L59 C63 M66 V76 T77 N78 R82 I83 L84T36-I80 HydrophobicContact CG2-CD1 4.31Å; T36-I80 HydrophobicContact CG2-CG1 3.86Å; L59-I80 HydrophobicContact CB-CG2 4.37Å; C63-I80 HydrophobicContact CB-CB 4.32Å; C63-I80 HydrophobicContact CB-CG2 3.83Å; M66-I80 HydrophobicContact CE-CD1 4.09Å; M66-I80 HydrophobicContact SD-CD1 3.4Å; M66-I80 WeakPolarHBondContact SD-CD1 3.36Å; V76-I80 PolarHBondContact O-N 3.05Å; T77-I80 PolarHBondContact O-N 3.43Å; N78-I80 VanDerWaalsContact C-N 3.31Å; N78-I80 PolarHBondContact O-N 3.11Å; I80-R82 VanDerWaalsContact C-N 3.28Å; I80-R82 PolarHBondContact O-N 2.81Å; I80-I83 PolarHBondContact O-N 2.9Å; I80-I83 VanDerWaalsContact O-N 3.12Å; I80-L84 HydrophobicContact CG2-CD1 4.38Å; I80-L84 WeakPolarHBondContact O-CG 3.45Å; I80-L84 PolarHBondContact O-N 3.18Å
81R94.6Very high91.9Very high5 Ų525.1 Ų25.12%0.01913%0.129CC..Hα-helixtrans-59.9-36.4175.3-71.5174.7176.5141.15.3113.2T77 N78 L84 K85 Y342 D346 D350T77-R81 WeakPolarHBondContact O-CG 3.33Å; T77-R81 PolarHBondContact O-N 3.05Å; N78-R81 PolarHBondContact O-N 3.35Å; N78-R81 PolarHBondContact OD1-NH1 2.74Å; R81-L84 WeakPolarHBondContact O-CB 3.38Å; R81-L84 PolarHBondContact O-N 3.02Å; R81-K85 PolarHBondContact O-N 3.16Å; R81-Y342 HydrophobicContact CB-CD1 3.89Å; R81-Y342 HydrophobicContact CB-CE1 4.16Å; R81-D346 HydrophobicContact CG-CB 4.21Å; R81-D346 PolarHBondContact NE-O 3.46Å; R81-D350 IonicContact CZ-OD2 3.8Å; R81-D350 IonicContact NH1-OD2 2.83Å; R81-D350 IonicContact NH2-OD1 2.73Å; R81-D350 PolarHBondContact NH2-OD1 3.28Å; R81-D350 IonicContact NH2-OD2 3.18Å; R81-D350 PolarHBondContact NH2-OD2 3.25Å
82R94.9Very high91.4Very high6 Ų625.2 Ų25.22%0.02313%0.128CC..Hα-helixtrans-64.7-43.1173.7-74174.8-175.7-117.1-1.6111.8N78 M79 I80 L84 K85 M86 F135 F267 Y342N78-R82 WeakPolarHBondContact O-CG 3.31Å; N78-R82 PolarHBondContact O-N 3.09Å; M79-R82 PolarHBondContact O-N 2.8Å; I80-R82 VanDerWaalsContact C-N 3.28Å; I80-R82 PolarHBondContact O-N 2.81Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 3.42Å; R82-K85 PolarHBondContact O-N 3.2Å; R82-M86 WeakPolarHBondContact O-CG 3.39Å; R82-M86 PolarHBondContact O-N 3.35Å; R82-F135 HydrophobicContact CB-CE1 4.36Å; R82-F135 HydrophobicContact CB-CZ 4.14Å; R82-F267 PolarHBondContact NH2-O 3.12Å; R82-Y342 HydrophobicContact CG-CD1 4.26Å; R82-Y342 HydrophobicContact CG-CE1 3.72Å; R82-Y342 PolarHBondContact NE-OH 3Å; R82-Y342 PolarHBondContact NH2-OH 2.86Å
83I95.8Very high90.3Very high0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-62.9-42.1175.3-64.3168.7000110.8V37 A40 I44 L59 M79 I80 K85 M86 I87 V132V37-I83 HydrophobicContact CG1-CD1 4.21Å; V37-I83 HydrophobicContact CG2-CD1 4.41Å; A40-I83 HydrophobicContact CB-CD1 3.35Å; I44-I83 HydrophobicContact CD1-CG2 4.01Å; L59-I83 HydrophobicContact CD1-CG2 4.05Å; M79-I83 WeakPolarHBondContact O-CG1 3.37Å; M79-I83 PolarHBondContact O-N 3.31Å; I80-I83 PolarHBondContact O-N 2.9Å; I80-I83 VanDerWaalsContact O-N 3.12Å; I83-K85 VanDerWaalsContact C-N 3.33Å; I83-K85 PolarHBondContact O-N 2.98Å; I83-M86 HydrophobicContact CB-CE 4.17Å; I83-M86 HydrophobicContact CG1-CE 3.66Å; I83-M86 PolarHBondContact O-N 2.97Å; I83-I87 HydrophobicContact CG2-CD1 3.88Å; I83-I87 HydrophobicContact CG2-CG1 4.45Å; I83-I87 VanDerWaalsContact O-CG1 3.26Å; I83-I87 WeakPolarHBondContact O-CG1 3.33Å; I83-I87 PolarHBondContact O-N 3.04Å; I83-V132 HydrophobicContact CG1-CG2 4.44Å; I83-V132 HydrophobicContact CG2-CG2 4.13Å
84L95.3Very high88.4Confident2 Ų231.8 Ų31.81%0.0115%0.151CC..Hα-helixtrans-57.7-43.9173.3-73.2170.1000112L56 L59 Q60 I80 R81 R82 R88 D346L56-L84 HydrophobicContact CB-CD2 4.45Å; L56-L84 HydrophobicContact CD2-CD2 3.65Å; L59-L84 HydrophobicContact CB-CD2 3.59Å; L59-L84 HydrophobicContact CB-CG 4.21Å; L59-L84 HydrophobicContact CD1-CD2 4.24Å; Q60-L84 HydrophobicContact CG-CD1 3.71Å; Q60-L84 HydrophobicContact CG-CD2 4.01Å; I80-L84 HydrophobicContact CG2-CD1 4.38Å; I80-L84 WeakPolarHBondContact O-CG 3.45Å; I80-L84 PolarHBondContact O-N 3.18Å; R81-L84 WeakPolarHBondContact O-CB 3.38Å; R81-L84 PolarHBondContact O-N 3.02Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 3.42Å; L84-R88 WeakPolarHBondContact O-CG 3.33Å; L84-R88 PolarHBondContact O-N 3.45Å; L84-R88 VanDerWaalsContact O-N 3.15Å; L84-D346 WeakPolarHBondContact CB-OD2 3.49Å; L84-D346 HydrophobicContact CD1-CB 4.44Å
85K93.6Very high86.1Confident30 Ų3036.5 Ų36.513%0.1318%0.182CC..Hα-helixtrans-63-49.8174.9-176.9178.7-169.2-75.40111.9R81 R82 I83 I87 R88 D89 E340 L341 N343R81-K85 PolarHBondContact O-N 3.16Å; R82-K85 PolarHBondContact O-N 3.2Å; I83-K85 VanDerWaalsContact C-N 3.33Å; I83-K85 PolarHBondContact O-N 2.98Å; K85-I87 VanDerWaalsContact C-N 3.26Å; K85-I87 PolarHBondContact O-N 2.86Å; K85-R88 PolarHBondContact O-N 3.05Å; K85-D89 IonicContact NZ-OD1 2.68Å; K85-D89 IonicContact NZ-OD2 3.12Å; K85-D89 PolarHBondContact NZ-OD2 3.11Å; K85-D89 PolarHBondContact O-N 3.43Å; K85-E340 WeakPolarHBondContact CE-O 3.38Å; K85-E340 PolarHBondContact NZ-O 3.28Å; K85-L341 VanDerWaalsContact CD-O 3.25Å; K85-L341 WeakPolarHBondContact CD-O 3.43Å; K85-N343 HydrophobicContact CB-CB 4.16Å; K85-N343 HydrophobicContact CG-CB 4.16Å
86M93.5Very high83.6Confident48 Ų4841 Ų4124%0.23621%0.21CC..Hα-helixtrans-55.6-42.8179.5-72.3-173.6-64.600111.7R82 I83 R88 D89 E90 F135R82-M86 WeakPolarHBondContact O-CG 3.39Å; R82-M86 PolarHBondContact O-N 3.35Å; I83-M86 HydrophobicContact CB-CE 4.17Å; I83-M86 HydrophobicContact CG1-CE 3.66Å; I83-M86 PolarHBondContact O-N 2.97Å; M86-R88 PolarHBondContact O-N 2.88Å; M86-D89 PolarHBondContact O-N 2.97Å; M86-E90 PolarHBondContact O-N 2.99Å; M86-E90 VanDerWaalsContact O-N 3.15Å; M86-F135 HydrophobicContact CE-CB 3.9Å; M86-F135 HydrophobicContact CE-CD1 3.61Å; M86-F135 HydrophobicContact CE-CD2 4.44Å; M86-F135 HydrophobicContact CE-CE1 4.23Å; M86-F135 HydrophobicContact CE-CG 3.73Å; M86-F135 HydrophobicContact SD-CB 3.98Å; M86-F135 HydrophobicContact SD-CD2 4.38Å; M86-F135 HydrophobicContact SD-CG 4.06Å
87I92.8Very high81Confident4 Ų445.6 Ų45.62%0.02125%0.248CC..Hα-helixtrans-62.5-42.9176.4-66.2165.6000111V52 L55 L56 L59 I83 K85 E90 V91 I128V52-I87 HydrophobicContact CG1-CG2 3.58Å; L55-I87 HydrophobicContact CD2-CD1 3.94Å; L55-I87 HydrophobicContact CG-CD1 4.34Å; L56-I87 HydrophobicContact CD2-CB 4.1Å; L56-I87 HydrophobicContact CD2-CG2 3.81Å; L56-I87 HydrophobicContact CG-CG2 4.3Å; L59-I87 HydrophobicContact CD1-CD1 3.51Å; I83-I87 HydrophobicContact CG2-CD1 3.88Å; I83-I87 HydrophobicContact CG2-CG1 4.45Å; I83-I87 VanDerWaalsContact O-CG1 3.26Å; I83-I87 WeakPolarHBondContact O-CG1 3.33Å; I83-I87 PolarHBondContact O-N 3.04Å; K85-I87 VanDerWaalsContact C-N 3.26Å; K85-I87 PolarHBondContact O-N 2.86Å; I87-E90 PolarHBondContact O-N 3.23Å; I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 3.04Å; I87-I128 HydrophobicContact CD1-CG2 4.04Å; I87-I128 HydrophobicContact CG1-CD1 4.13Å; I87-I128 HydrophobicContact CG1-CG1 4.19Å; I87-I128 HydrophobicContact CG1-CG2 3.81Å; I87-I128 HydrophobicContact CG2-CD1 4.08Å
88R90.5Very high78.3Confident35 Ų3549 Ų4913%0.13228%0.284CS..Hα-helixtrans-68.3-40.5179.3-73.8-178.6-178.2146.912.9113.2L56 L84 K85 M86 E90 V91 V92 N343 D346L56-R88 HydrophobicContact CD1-CG 4.08Å; L56-R88 HydrophobicContact CD2-CG 4.11Å; L84-R88 WeakPolarHBondContact O-CG 3.33Å; L84-R88 PolarHBondContact O-N 3.45Å; L84-R88 VanDerWaalsContact O-N 3.15Å; K85-R88 PolarHBondContact O-N 3.05Å; M86-R88 PolarHBondContact O-N 2.88Å; R88-E90 VanDerWaalsContact C-N 3.25Å; R88-E90 PolarHBondContact O-N 3.4Å; R88-V91 PolarHBondContact O-N 3.23Å; R88-V92 WeakPolarHBondContact O-CG2 3.39Å; R88-V92 PolarHBondContact O-N 3.15Å; R88-V92 VanDerWaalsContact O-N 3.13Å; R88-N343 PolarHBondContact NH1-OD1 2.94Å; R88-D346 IonicContact CZ-OD1 3.65Å; R88-D346 IonicContact CZ-OD2 3.96Å; R88-D346 IonicContact NH1-OD1 3.41Å; R88-D346 PolarHBondContact NH1-OD1 3.13Å; R88-D346 IonicContact NH1-OD2 3.06Å; R88-D346 PolarHBondContact NH1-OD2 2.81Å; R88-D346 IonicContact NH2-OD1 3.89Å; R88-D346 PolarHBondContact NH2-OD1 2.83Å; R88-D346 IonicContact NH2-OD2 2.69Å; R88-D346 PolarHBondContact NH2-OD2 2.87Å
89D89.1Confident75.3Confident71 Ų7154.5 Ų54.538%0.3831%0.31SS..Hα-helixtrans-63.9-36.7179.6-68.9-9.1000110.4K85 M86 V92 R93K85-D89 IonicContact NZ-OD1 2.68Å; K85-D89 IonicContact NZ-OD2 3.12Å; K85-D89 PolarHBondContact NZ-OD2 3.11Å; K85-D89 PolarHBondContact O-N 3.43Å; M86-D89 PolarHBondContact O-N 2.97Å; D89-V92 PolarHBondContact O-N 2.87Å; D89-R93 VanDerWaalsContact O-CB 3.25Å; D89-R93 WeakPolarHBondContact O-CB 3.29Å; D89-R93 PolarHBondContact O-N 3.28Å
90E85.3Confident72.5Confident43 Ų4359.8 Ų59.820%0.20134%0.344CS..Hα-helixtrans-65.7-41.5175.3-160.563.1-133.400112.3M86 I87 R88 V92 R93 W124 L127 N131M86-E90 PolarHBondContact O-N 2.99Å; M86-E90 VanDerWaalsContact O-N 3.15Å; I87-E90 PolarHBondContact O-N 3.23Å; R88-E90 VanDerWaalsContact C-N 3.25Å; R88-E90 PolarHBondContact O-N 3.4Å; E90-V92 VanDerWaalsContact C-N 3.31Å; E90-V92 PolarHBondContact O-N 3.08Å; E90-R93 PolarHBondContact O-N 3.38Å; E90-W124 HydrophobicContact CB-CZ3 4.44Å; E90-W124 HydrophobicContact CG-CZ3 4.05Å; E90-L127 HydrophobicContact CG-CD2 3.51Å; E90-L127 HydrophobicContact CG-CG 4.07Å; E90-N131 PolarHBondContact OE2-ND2 3.31Å
91V82Confident70.1Confident51 Ų5167.5 Ų67.531%0.30939%0.385SS..Hα-helixtrans-63-36.4176.8174.50000112.1V52 I87 R88 F115 W124V52-V91 HydrophobicContact CB-CG2 4.36Å; V52-V91 HydrophobicContact CG1-CG2 3.68Å; V52-V91 HydrophobicContact CG2-CG2 4.39Å; I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 3.04Å; R88-V91 PolarHBondContact O-N 3.23Å; V91-F115 WeakPolarHBondContact O-CE1 3.46Å; V91-W124 HydrophobicContact CB-CH2 4.5Å; V91-W124 HydrophobicContact CG2-CH2 3.95Å; V91-W124 HydrophobicContact CG2-CZ3 4.09Å
92V77.1Confident67.6Low93 Ų9376.1 Ų76.156%0.56443%0.425SS*.Hα-helixtrans-77-29.3178.3176.70000111.7R88 D89 E90R88-V92 WeakPolarHBondContact O-CG2 3.39Å; R88-V92 PolarHBondContact O-N 3.15Å; R88-V92 VanDerWaalsContact O-N 3.13Å; D89-V92 PolarHBondContact O-N 2.87Å; E90-V92 VanDerWaalsContact C-N 3.31Å; E90-V92 PolarHBondContact O-N 3.08Å
93R63Low65.2Low189 Ų18981.4 Ų81.471%0.71345%0.45SS*.Hα-helixtrans-75.4-22.7-171.6-177.1176.3161.785.91.5114.3D89 E90 P95D89-R93 VanDerWaalsContact O-CB 3.25Å; D89-R93 WeakPolarHBondContact O-CB 3.29Å; D89-R93 PolarHBondContact O-N 3.28Å; E90-R93 PolarHBondContact O-N 3.38Å; R93-P95 WeakPolarHBondContact O-CD 3.5Å; R93-P95 WeakPolarHBondContact O-CG 3.25Å
94E48.9Very low62.9Low74 Ų7484.6 Ų84.635%0.34647%0.472SS..  trans-54.9107.1-179.1-91.2-165.3160.600111.7
95P44Very low60.6Low108 Ų10890.8 Ų90.870%0.70151%0.505SS*.  trans-80.2142.7-176.2-1.519.2000109.7R93 A97R93-P95 WeakPolarHBondContact O-CD 3.5Å; R93-P95 WeakPolarHBondContact O-CG 3.25Å; P95-A97 VanDerWaalsContact C-N 3.33Å; P95-A97 PolarHBondContact O-N 3.12Å
96T41.8Very low58.1Low95 Ų9596.3 Ų96.358%0.58353%0.531SS*.  trans-53.3100.8156.341.10000108.3G98T96-G98 PolarHBondContact O-N 3.03Å
97A39.4Very low55.8Low97 Ų9799.9 Ų99.980%0.80255%0.545SS*.THydrogen-bonded Turntrans-52.1106.4172.700000109.2P95P95-A97 VanDerWaalsContact C-N 3.33Å; P95-A97 PolarHBondContact O-N 3.12Å
98G36.9Very low53.5Low77 Ų77105.9 Ų105.979%0.79458%0.577SS**THydrogen-bonded Turntrans123.98.8162.500000119.7T96T96-G98 PolarHBondContact O-N 3.03Å
99E30.8Very low51.3Low115 Ų115114.9 Ų114.954%0.53761%0.611SS.*  trans-116.9137.3177.5-73.5-175.217100114.3K107E99-K107 IonicContact OE2-NZ 3.12Å; E99-K107 PolarHBondContact OE2-NZ 2.72Å; E99-K107 VanDerWaalsContact OE2-NZ 3.12Å
100P37.5Very low49.1Very low111 Ų111117.4 Ų117.472%0.72162%0.624SS**  trans-67.4144.1-171.7-1428.8000113Q102P100-Q102 PolarHBondContact O-N 2.64Å
101L44.7Very low46.8Very low164 Ų164119.2 Ų119.286%0.85965%0.653SS**THydrogen-bonded Turntrans-47.5-9.9-172.9-100.1123.7000118.4
102Q43.3Very low44.7Very low185 Ų185123.4 Ų123.486%0.86467%0.674SS**THydrogen-bonded Turntrans-82.4-28.4-173.3-152.2103.717.600113.2P100P100-Q102 PolarHBondContact O-N 2.64Å
103E43.1Very low42.8Very low118 Ų118122.6 Ų122.655%0.55169%0.685SS**SBendtrans-93.5-10.3-178.1-73.9-171.7169.200114.1L105 Q106 K107E103-L105 VanDerWaalsContact C-N 3.29Å; E103-L105 PolarHBondContact O-N 2.76Å; E103-Q106 PolarHBondContact O-N 3.07Å; E103-K107 PolarHBondContact O-N 3.15Å
104S49Very low41.4Very low66 Ų66118.4 Ų118.446%0.46269%0.685SS.*Hα-helixtrans-65.3-27.8-175.4-49.70000113.6L108S104-L108 PolarHBondContact O-N 3.41Å
105L45.9Very low41.2Very low132 Ų132121.1 Ų121.169%0.69170%0.695SS**Hα-helixtrans-74.2-33.6178.5-89.6166.1000113.1E103E103-L105 VanDerWaalsContact C-N 3.29Å; E103-L105 PolarHBondContact O-N 2.76Å
106Q41.7Very low41.4Very low146 Ų146121.7 Ų121.768%0.68269%0.687SS**Hα-helixtrans-77-37.5178.3-80.3179.9-15.700111.9E103 L108 W109 L110E103-Q106 PolarHBondContact O-N 3.07Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 PolarHBondContact O-N 3.44Å; Q106-W109 PolarHBondContact O-N 2.96Å; Q106-L110 PolarHBondContact O-N 2.85Å
107K44.5Very low41.7Very low124 Ų124126.3 Ų126.354%0.53970%0.702SS.*Hα-helixtrans-70.6-21.3175.1-80.1179-179.41680113.6E99 E103 W109 L110E99-K107 IonicContact OE2-NZ 3.12Å; E99-K107 PolarHBondContact OE2-NZ 2.72Å; E99-K107 VanDerWaalsContact OE2-NZ 3.12Å; E103-K107 PolarHBondContact O-N 3.15Å; K107-W109 VanDerWaalsContact C-N 3.28Å; K107-W109 PolarHBondContact O-N 3.05Å; K107-L110 VanDerWaalsContact O-O 3.05Å
108L45.3Very low42.6Very low130 Ų130127.4 Ų127.468%0.68170%0.699SS**THydrogen-bonded Turntrans-68.7-26.3175.9-153.780.6000113S104 Q106S104-L108 PolarHBondContact O-N 3.41Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 PolarHBondContact O-N 3.44Å
109W44.5Very low44Very low223 Ų223124.9 Ų124.985%0.84567%0.671SS**THydrogen-bonded Turntrans-93.4-33178.3-72.873.8000112.8Q106 K107 G111Q106-W109 PolarHBondContact O-N 2.96Å; K107-W109 VanDerWaalsContact C-N 3.28Å; K107-W109 PolarHBondContact O-N 3.05Å; W109-G111 PolarHBondContact O-N 3.03Å; W109-G111 VanDerWaalsContact O-N 3.12Å
110L41.7Very low46.3Very low125 Ų125122.6 Ų122.665%0.65467%0.667SS**SBendtrans-84.987175.9-68.7160.6000107.3Q106 K107 D112Q106-L110 PolarHBondContact O-N 2.85Å; K107-L110 VanDerWaalsContact O-O 3.05Å; L110-D112 PolarHBondContact O-N 3.25Å
111G37.6Very low48.3Very low80 Ų80119 Ų11983%0.82565%0.647SS**  trans-59.769.3-179.600000113.6W109 G113W109-G111 PolarHBondContact O-N 3.03Å; W109-G111 VanDerWaalsContact O-N 3.12Å; G111-G113 PolarHBondContact O-N 3.13Å
112D37.7Very low50.2Low139 Ų139119 Ų11974%0.74364%0.64SS**  trans-84.596.2176.1-153.43.8000107.9L110 S114L110-D112 PolarHBondContact O-N 3.25Å; D112-S114 PolarHBondContact O-N 2.94Å
113G36.9Very low52.3Low76 Ų76115.7 Ų115.778%0.78463%0.625SS**  trans-73.755.7-168.300000114.8G111G111-G113 PolarHBondContact O-N 3.13Å
114S35.1Very low54.4Low102 Ų102111.4 Ų111.471%0.71360%0.603SS**  trans-112.545.4164.4630000111.2D112 K116D112-S114 PolarHBondContact O-N 2.94Å; S114-K116 PolarHBondContact O-N 3.33Å
115F43.2Very low56.4Low130 Ų130111.3 Ų111.357%0.5760%0.595SS**  trans-75110.7176.9-121.5-99.2000109.5V91 E117V91-F115 WeakPolarHBondContact O-CE1 3.46Å; F115-E117 PolarHBondContact O-N 2.97Å; F115-E117 VanDerWaalsContact O-N 3.15Å
116K49.1Very low58.5Low120 Ų120108.4 Ų108.452%0.52258%0.582SS.*  trans-43.6105.6-170.2-71.3172.5174.5177.70115.4S114 T118S114-K116 PolarHBondContact O-N 3.33Å; K116-T118 PolarHBondContact O-N 3.14Å
117E47.8Very low60.9Low192 Ų192103.8 Ų103.890%0.89756%0.562SS**THydrogen-bonded Turntrans-67.216.2169.9-103.8178.9162.600115.6F115F115-E117 PolarHBondContact O-N 2.97Å; F115-E117 VanDerWaalsContact O-N 3.15Å
118T57.5Low63.2Low120 Ų12098 Ų9874%0.73654%0.537SS*.THydrogen-bonded Turntrans-97.3-5.1-160.448.90000117.4K116K116-T118 PolarHBondContact O-N 3.14Å
119A67.1Low65.6Low25 Ų2593.7 Ų93.721%0.20751%0.514CS..SBendtrans-78.2128.8173.700000110.9E123 W124A119-E123 WeakPolarHBondContact CA-OE2 3.3Å; A119-W124 HydrophobicContact CB-CG 4.47Å; A119-W124 HydrophobicContact CB-CZ2 4.31Å; A119-W124 VanDerWaalsContact CB-NE1 3.3Å
120S78.6Confident68Low67 Ų6788 Ų8847%0.46950%0.497SS..  trans-62.1145.9177.2-177.20000110K122 E123 W124S120-K122 PolarHBondContact O-N 2.97Å; S120-K122 PolarHBondContact OG-N 3.17Å; S120-E123 PolarHBondContact N-OE2 2.98Å; S120-E123 WeakPolarHBondContact O-CB 3.19Å; S120-E123 PolarHBondContact O-N 3.45Å; S120-W124 PolarHBondContact O-N 2.92Å; S120-W124 VanDerWaalsContact O-N 3.1Å
121A79.8Confident70.5Confident35 Ų3583.5 Ų83.529%0.28947%0.474SS..Hα-helixtrans-51.9-26.5172.200000112.7W49 K125W49-A121 HydrophobicContact CZ3-CB 4.4Å; A121-K125 WeakPolarHBondContact O-CB 3.36Å; A121-K125 PolarHBondContact O-N 3.15Å; A121-K125 VanDerWaalsContact O-N 3.07Å
122K85.6Confident73.3Confident163 Ų16379.8 Ų79.871%0.70944%0.435SS*.Hα-helixtrans-70-40.5173.8-171.5-178.3177-171.80112.9S120 K125 T126S120-K122 PolarHBondContact O-N 2.97Å; S120-K122 PolarHBondContact OG-N 3.17Å; K122-K125 PolarHBondContact O-N 2.84Å; K122-T126 PolarHBondContact O-N 3.23Å; K122-T126 VanDerWaalsContact O-N 3.12Å; K122-T126 PolarHBondContact O-OG1 3.24Å
123E87.2Confident76.1Confident117 Ų11776.5 Ų76.555%0.54742%0.417SS..Hα-helixtrans-67.9-48.6178.8-67.9166.2162.400110A119 S120 K125 T126 L127A119-E123 WeakPolarHBondContact CA-OE2 3.3Å; S120-E123 PolarHBondContact N-OE2 2.98Å; S120-E123 WeakPolarHBondContact O-CB 3.19Å; S120-E123 PolarHBondContact O-N 3.45Å; E123-K125 PolarHBondContact O-N 3.37Å; E123-T126 PolarHBondContact O-N 3.3Å; E123-T126 VanDerWaalsContact O-N 3.14Å; E123-L127 PolarHBondContact O-N 3.07Å
124W87.2Confident79Confident27 Ų2779.4 Ų79.410%0.10241%0.411CS..Hα-helixtrans-54.2-41.7172.4-80.8114.6000112.4W49 V52 E90 V91 A119 S120 L127 I128W49-W124 HydrophobicContact CH2-CB 3.81Å; W49-W124 HydrophobicContact CZ3-CB 4.06Å; V52-W124 HydrophobicContact CG2-CB 4.48Å; V52-W124 HydrophobicContact CG2-CD2 3.68Å; V52-W124 HydrophobicContact CG2-CE3 4.19Å; V52-W124 HydrophobicContact CG2-CG 3.8Å; E90-W124 HydrophobicContact CB-CZ3 4.44Å; E90-W124 HydrophobicContact CG-CZ3 4.05Å; V91-W124 HydrophobicContact CB-CH2 4.5Å; V91-W124 HydrophobicContact CG2-CH2 3.95Å; V91-W124 HydrophobicContact CG2-CZ3 4.09Å; A119-W124 HydrophobicContact CB-CG 4.47Å; A119-W124 HydrophobicContact CB-CZ2 4.31Å; A119-W124 VanDerWaalsContact CB-NE1 3.3Å; S120-W124 PolarHBondContact O-N 2.92Å; S120-W124 VanDerWaalsContact O-N 3.1Å; W124-L127 HydrophobicContact CE3-CD2 4.21Å; W124-L127 HydrophobicContact CZ3-CD2 4.02Å; W124-L127 PolarHBondContact O-N 2.85Å; W124-I128 HydrophobicContact CE3-CD1 4.48Å; W124-I128 WeakPolarHBondContact O-CB 3.22Å; W124-I128 WeakPolarHBondContact O-CD1 3.42Å; W124-I128 WeakPolarHBondContact O-CG1 3.31Å; W124-I128 PolarHBondContact O-N 2.79Å
125K89.9Confident81.9Confident65 Ų6575.1 Ų75.128%0.28338%0.379SS..Hα-helixtrans-64.8-42.6180-175.6173.8-176173.30112.3I44 A45 W49 A121 K122 E123 I129I44-K125 WeakPolarHBondContact O-CE 3.4Å; A45-K125 WeakPolarHBondContact O-CE 3.48Å; A45-K125 PolarHBondContact O-NZ 2.81Å; W49-K125 HydrophobicContact CH2-CB 3.89Å; W49-K125 HydrophobicContact CZ2-CB 3.63Å; W49-K125 HydrophobicContact CZ2-CD 4.42Å; W49-K125 HydrophobicContact CZ2-CG 3.96Å; A121-K125 WeakPolarHBondContact O-CB 3.36Å; A121-K125 PolarHBondContact O-N 3.15Å; A121-K125 VanDerWaalsContact O-N 3.07Å; K122-K125 PolarHBondContact O-N 2.84Å; E123-K125 PolarHBondContact O-N 3.37Å; K125-I129 HydrophobicContact CG-CD1 3.89Å; K125-I129 WeakPolarHBondContact O-CB 3.35Å; K125-I129 WeakPolarHBondContact O-CD1 3.38Å; K125-I129 WeakPolarHBondContact O-CG1 3.24Å; K125-I129 PolarHBondContact O-N 3.44Å; K125-I129 VanDerWaalsContact O-N 3.13Å
126T91.2Very high84.5Confident70 Ų7069.3 Ų69.343%0.42935%0.354SS..Hα-helixtrans-63.1-51176.3-60.10000110.4K122 E123 I128 I129 E130K122-T126 PolarHBondContact O-N 3.23Å; K122-T126 VanDerWaalsContact O-N 3.12Å; K122-T126 PolarHBondContact O-OG1 3.24Å; E123-T126 PolarHBondContact O-N 3.3Å; E123-T126 VanDerWaalsContact O-N 3.14Å; T126-I128 PolarHBondContact O-N 3.39Å; T126-I129 PolarHBondContact O-N 3.1Å; T126-E130 WeakPolarHBondContact CG2-OE1 3.44Å; T126-E130 WeakPolarHBondContact O-CG 3.31Å; T126-E130 PolarHBondContact O-N 3.27Å
127L91.4Very high86.7Confident49 Ų4965.9 Ų65.926%0.25735%0.348SS..Hα-helixtrans-57.9-48.7-179-178.362.5000112.4E90 E123 W124 I129 E130 N131E90-L127 HydrophobicContact CG-CD2 3.51Å; E90-L127 HydrophobicContact CG-CG 4.07Å; E123-L127 PolarHBondContact O-N 3.07Å; W124-L127 HydrophobicContact CE3-CD2 4.21Å; W124-L127 HydrophobicContact CZ3-CD2 4.02Å; W124-L127 PolarHBondContact O-N 2.85Å; L127-I129 VanDerWaalsContact C-N 3.31Å; L127-I129 PolarHBondContact O-N 3.4Å; L127-E130 PolarHBondContact O-N 3.13Å; L127-N131 PolarHBondContact O-N 3.47Å; L127-N131 PolarHBondContact O-OD1 3.07Å
128I93Very high89Confident3 Ų360.4 Ų60.42%0.01532%0.322CS..Hα-helixtrans-64.8-37.5179.6-66167.7000111.1I44 W49 L55 I87 W124 T126 V132I44-I128 HydrophobicContact CD1-CG2 3.99Å; I44-I128 HydrophobicContact CG2-CG2 3.98Å; W49-I128 HydrophobicContact CH2-CD1 4.34Å; L55-I128 HydrophobicContact CD2-CD1 3.56Å; I87-I128 HydrophobicContact CD1-CG2 4.04Å; I87-I128 HydrophobicContact CG1-CD1 4.13Å; I87-I128 HydrophobicContact CG1-CG1 4.19Å; I87-I128 HydrophobicContact CG1-CG2 3.81Å; I87-I128 HydrophobicContact CG2-CD1 4.08Å; W124-I128 HydrophobicContact CE3-CD1 4.48Å; W124-I128 WeakPolarHBondContact O-CB 3.22Å; W124-I128 WeakPolarHBondContact O-CD1 3.42Å; W124-I128 WeakPolarHBondContact O-CG1 3.31Å; W124-I128 PolarHBondContact O-N 2.79Å; T126-I128 PolarHBondContact O-N 3.39Å; I128-V132 HydrophobicContact CG2-CG2 4.36Å; I128-V132 WeakPolarHBondContact O-CB 3.43Å; I128-V132 WeakPolarHBondContact O-CG2 3.3Å; I128-V132 PolarHBondContact O-N 2.91Å
129I94.4Very high90.8Very high39 Ų3954.7 Ų54.720%0.229%0.287CS..Hα-helixtrans-66.5-39.5177.3-73.3170.5000111I44 A45 K125 T126 L127 V132 N133I44-I129 HydrophobicContact CG2-CG1 4.06Å; A45-I129 HydrophobicContact CB-CD1 3.91Å; K125-I129 HydrophobicContact CG-CD1 3.89Å; K125-I129 WeakPolarHBondContact O-CB 3.35Å; K125-I129 WeakPolarHBondContact O-CD1 3.38Å; K125-I129 WeakPolarHBondContact O-CG1 3.24Å; K125-I129 PolarHBondContact O-N 3.44Å; K125-I129 VanDerWaalsContact O-N 3.13Å; T126-I129 PolarHBondContact O-N 3.1Å; L127-I129 VanDerWaalsContact C-N 3.31Å; L127-I129 PolarHBondContact O-N 3.4Å; I129-V132 PolarHBondContact O-N 3.35Å; I129-N133 PolarHBondContact O-N 2.82Å; I129-N133 PolarHBondContact O-ND2 3.37Å
130E95.3Very high92.2Very high103 Ų10358.7 Ų58.748%0.48130%0.302SS..Hα-helixtrans-61.1-51.4174.8-72.8171.4179.900110.8T126 L127 V132 N133 E134T126-E130 WeakPolarHBondContact CG2-OE1 3.44Å; T126-E130 WeakPolarHBondContact O-CG 3.31Å; T126-E130 PolarHBondContact O-N 3.27Å; L127-E130 PolarHBondContact O-N 3.13Å; E130-V132 VanDerWaalsContact C-N 3.29Å; E130-V132 PolarHBondContact O-N 2.98Å; E130-N133 WeakPolarHBondContact O-CA 3.36Å; E130-N133 WeakPolarHBondContact O-CB 3.43Å; E130-N133 PolarHBondContact O-N 3.2Å; E130-E134 PolarHBondContact O-N 3.02Å
131N94.9Very high93Very high32 Ų3258.4 Ų58.417%0.17130%0.297CS..Hα-helixtrans-58.2-39.6176.8-69.45.2000112.3E90 L127 N133 E134 F135E90-N131 PolarHBondContact OE2-ND2 3.31Å; L127-N131 PolarHBondContact O-N 3.47Å; L127-N131 PolarHBondContact O-OD1 3.07Å; N131-N133 VanDerWaalsContact C-N 3.33Å; N131-E134 PolarHBondContact O-N 3.02Å; N131-F135 PolarHBondContact O-N 2.99Å
132V96.3Very high93.7Very high2 Ų256.9 Ų56.91%0.01228%0.284CS..Hα-helixtrans-69-31.4176.2172.80000112V37 R41 I44 I83 I128 I129 E130 L136V37-V132 HydrophobicContact CG1-CG1 3.76Å; R41-V132 HydrophobicContact CB-CG1 3.75Å; R41-V132 HydrophobicContact CG-CG1 3.91Å; I44-V132 HydrophobicContact CD1-CG2 4.15Å; I83-V132 HydrophobicContact CG1-CG2 4.44Å; I83-V132 HydrophobicContact CG2-CG2 4.13Å; I128-V132 HydrophobicContact CG2-CG2 4.36Å; I128-V132 WeakPolarHBondContact O-CB 3.43Å; I128-V132 WeakPolarHBondContact O-CG2 3.3Å; I128-V132 PolarHBondContact O-N 2.91Å; I129-V132 PolarHBondContact O-N 3.35Å; E130-V132 VanDerWaalsContact C-N 3.29Å; E130-V132 PolarHBondContact O-N 2.98Å; V132-L136 WeakPolarHBondContact O-CG 3.34Å; V132-L136 PolarHBondContact O-N 2.94Å
133N97.6Very high94Very high69 Ų6950.2 Ų50.237%0.36926%0.262SS..Hα-helixtrans-71.8-38.1174.1-70.5-30.4000111.9R41 I129 E130 N131 F135 L136 A137R41-N133 WeakPolarHBondContact CD-OD1 3.45Å; I129-N133 PolarHBondContact O-N 2.82Å; I129-N133 PolarHBondContact O-ND2 3.37Å; E130-N133 WeakPolarHBondContact O-CA 3.36Å; E130-N133 WeakPolarHBondContact O-CB 3.43Å; E130-N133 PolarHBondContact O-N 3.2Å; N131-N133 VanDerWaalsContact C-N 3.33Å; N133-F135 VanDerWaalsContact C-N 3.32Å; N133-L136 WeakPolarHBondContact O-CB 3.37Å; N133-L136 PolarHBondContact O-N 2.85Å; N133-A137 PolarHBondContact O-N 3.02Å
134E96.6Very high94.4Very high138 Ų13850 Ų5065%0.64527%0.265SS*.Hα-helixtrans-61.4-43171.5-67.9-178.1179.500111E130 N131 L136 A137 E138E130-E134 PolarHBondContact O-N 3.02Å; N131-E134 PolarHBondContact O-N 3.02Å; E134-L136 VanDerWaalsContact C-N 3.3Å; E134-L136 PolarHBondContact O-N 3.43Å; E134-A137 WeakPolarHBondContact O-CB 3.49Å; E134-A137 PolarHBondContact O-N 3.08Å; E134-A137 VanDerWaalsContact O-N 3.13Å; E134-E138 PolarHBondContact O-N 3.18Å
135F96.2Very high94.8Very high11 Ų1151.8 Ų51.85%0.04828%0.276CS..Hα-helixtrans-62.5-35.2175-175.6-129.5000113.1V37 M79 R82 M86 N131 N133 E138 L139 F267V37-F135 HydrophobicContact CG1-CD1 3.89Å; V37-F135 HydrophobicContact CG1-CE1 4.4Å; V37-F135 HydrophobicContact CG2-CD1 3.89Å; V37-F135 HydrophobicContact CG2-CE1 3.54Å; M79-F135 HydrophobicContact SD-CE1 4.1Å; M79-F135 HydrophobicContact SD-CZ 3.85Å; R82-F135 HydrophobicContact CB-CE1 4.36Å; R82-F135 HydrophobicContact CB-CZ 4.14Å; M86-F135 HydrophobicContact CE-CB 3.9Å; M86-F135 HydrophobicContact CE-CD1 3.61Å; M86-F135 HydrophobicContact CE-CD2 4.44Å; M86-F135 HydrophobicContact CE-CE1 4.23Å; M86-F135 HydrophobicContact CE-CG 3.73Å; M86-F135 HydrophobicContact SD-CB 3.98Å; M86-F135 HydrophobicContact SD-CD2 4.38Å; M86-F135 HydrophobicContact SD-CG 4.06Å; N131-F135 PolarHBondContact O-N 2.99Å; N133-F135 VanDerWaalsContact C-N 3.32Å; F135-E138 PolarHBondContact O-N 2.99Å; F135-L139 HydrophobicContact CE1-CD1 4.32Å; F135-L139 WeakPolarHBondContact O-CG 3.45Å; F135-L139 PolarHBondContact O-N 3.11Å; F135-F267 HydrophobicContact CD2-CE2 4.4Å; F135-F267 HydrophobicContact CD2-CZ 4.29Å; F135-F267 HydrophobicContact CE2-CD2 4.35Å; F135-F267 AromaticContact CE2-CE2 3.32Å; F135-F267 HydrophobicContact CE2-CE2 3.32Å; F135-F267 AromaticContact CE2-CZ 3.6Å; F135-F267 HydrophobicContact CE2-CZ 3.6Å; F135-F267 AromaticContact CZ-CE2 3.67Å; F135-F267 HydrophobicContact CZ-CE2 3.67Å; F135-F267 HydrophobicContact CZ-CZ 4.28Å
136L97.1Very high95.1Very high9 Ų948.7 Ų48.75%0.04726%0.263CS..Hα-helixtrans-65-42.8172-78.1166.6000112V37 V132 N133 E134 E138 L139 E140V37-L136 HydrophobicContact CB-CD2 3.69Å; V37-L136 HydrophobicContact CB-CG 4.31Å; V37-L136 HydrophobicContact CG1-CD1 4.2Å; V37-L136 HydrophobicContact CG1-CD2 3.5Å; V37-L136 VanDerWaalsContact CG1-CD2 3.5Å; V37-L136 HydrophobicContact CG1-CG 3.54Å; V132-L136 WeakPolarHBondContact O-CG 3.34Å; V132-L136 PolarHBondContact O-N 2.94Å; N133-L136 WeakPolarHBondContact O-CB 3.37Å; N133-L136 PolarHBondContact O-N 2.85Å; E134-L136 VanDerWaalsContact C-N 3.3Å; E134-L136 PolarHBondContact O-N 3.43Å; L136-E138 VanDerWaalsContact C-N 3.29Å; L136-E138 PolarHBondContact O-N 3.34Å; L136-L139 HydrophobicContact CD2-CD1 4.37Å; L136-L139 WeakPolarHBondContact O-CB 3.46Å; L136-L139 PolarHBondContact O-N 3.44Å; L136-E140 WeakPolarHBondContact O-CG 3.25Å; L136-E140 PolarHBondContact O-N 2.96Å
137A97Very high95.3Very high48 Ų4845.9 Ų45.940%0.39725%0.246SC..Hα-helixtrans-63.7-36.2175.300000111.8N133 E134 E140 T141N133-A137 PolarHBondContact O-N 3.02Å; E134-A137 WeakPolarHBondContact O-CB 3.49Å; E134-A137 PolarHBondContact O-N 3.08Å; E134-A137 VanDerWaalsContact O-N 3.13Å; A137-E140 PolarHBondContact O-N 2.99Å; A137-T141 WeakPolarHBondContact O-CG2 3.46Å; A137-T141 PolarHBondContact O-N 2.86Å; A137-T141 VanDerWaalsContact O-N 3.12Å; A137-T141 PolarHBondContact O-OG1 3.38Å; A137-T141 VanDerWaalsContact O-OG1 3.04Å
138E95.3Very high95.5Very high76 Ų7646.9 Ų46.936%0.35526%0.262SS..Hα-helixtrans-64.1-41.9172.8-160.3-162.7159.600111.8E134 F135 L136 E140 T141 C142 F267 N325E134-E138 PolarHBondContact O-N 3.18Å; F135-E138 PolarHBondContact O-N 2.99Å; L136-E138 VanDerWaalsContact C-N 3.29Å; L136-E138 PolarHBondContact O-N 3.34Å; E138-E140 VanDerWaalsContact C-N 3.34Å; E138-E140 PolarHBondContact O-N 2.92Å; E138-T141 PolarHBondContact O-N 3.45Å; E138-T141 PolarHBondContact O-OG1 2.99Å; E138-C142 PolarHBondContact O-N 2.87Å; E138-C142 VanDerWaalsContact O-N 3.08Å; E138-F267 HydrophobicContact CB-CE1 4.42Å; E138-F267 HydrophobicContact CB-CZ 4.44Å; E138-F267 HydrophobicContact CG-CE1 3.83Å; E138-F267 HydrophobicContact CG-CZ 4.26Å; E138-F267 WeakPolarHBondContact OE1-CE1 3.34Å; E138-N325 PolarHBondContact OE1-ND2 2.81Å
139L95.5Very high95.6Very high1 Ų148.2 Ų48.21%0.00527%0.268CS..Hα-helixtrans-60.1-42.8174-78.2173.2000111.8Y30 A33 V37 M79 F135 L136 C142 F267 Y268Y30-L139 WeakPolarHBondContact CE2-O 3.45Å; A33-L139 HydrophobicContact CB-CD2 4.31Å; V37-L139 HydrophobicContact CB-CD1 4.18Å; V37-L139 HydrophobicContact CG2-CD1 3.64Å; M79-L139 HydrophobicContact SD-CD2 4.37Å; F135-L139 HydrophobicContact CE1-CD1 4.32Å; F135-L139 WeakPolarHBondContact O-CG 3.45Å; F135-L139 PolarHBondContact O-N 3.11Å; L136-L139 HydrophobicContact CD2-CD1 4.37Å; L136-L139 WeakPolarHBondContact O-CB 3.46Å; L136-L139 PolarHBondContact O-N 3.44Å; L139-C142 PolarHBondContact O-SG 3.13Å; L139-F267 HydrophobicContact CD2-CD2 4.49Å; L139-F267 HydrophobicContact CD2-CE1 4.33Å; L139-F267 HydrophobicContact CD2-CE2 3.43Å; L139-F267 VanDerWaalsContact CD2-CE2 3.43Å; L139-F267 HydrophobicContact CD2-CZ 3.37Å; L139-F267 HydrophobicContact CG-CE2 4.14Å; L139-F267 HydrophobicContact CG-CZ 3.76Å; L139-Y268 HydrophobicContact CD2-CD1 3.49Å; L139-Y268 VanDerWaalsContact CD2-CD1 3.49Å; L139-Y268 HydrophobicContact CD2-CE1 4.37Å; L139-Y268 HydrophobicContact CD2-CG 3.99Å
140E95.9Very high95.6Very high109 Ų10946.4 Ų46.451%0.50926%0.258SS..Hα-helixtrans-63.7-40.3179.4-73.3174.8178.600112.1Y30 H34 L136 A137 E138Y30-E140 WeakPolarHBondContact OH-CG 3.49Å; H34-E140 IonicContact NE2-OE1 3.61Å; L136-E140 WeakPolarHBondContact O-CG 3.25Å; L136-E140 PolarHBondContact O-N 2.96Å; A137-E140 PolarHBondContact O-N 2.99Å; E138-E140 VanDerWaalsContact C-N 3.34Å; E138-E140 PolarHBondContact O-N 2.92Å
141T95.2Very high95.5Very high60 Ų6044.4 Ų44.437%0.36825%0.249SC..Hα-helixtrans-84.6-13.8-176.355.50000114.6A137 E138 G143 D144 N145A137-T141 WeakPolarHBondContact O-CG2 3.46Å; A137-T141 PolarHBondContact O-N 2.86Å; A137-T141 VanDerWaalsContact O-N 3.12Å; A137-T141 PolarHBondContact O-OG1 3.38Å; A137-T141 VanDerWaalsContact O-OG1 3.04Å; E138-T141 PolarHBondContact O-N 3.45Å; E138-T141 PolarHBondContact O-OG1 2.99Å; T141-G143 VanDerWaalsContact C-N 3.26Å; T141-G143 PolarHBondContact O-N 3.19Å; T141-G143 VanDerWaalsContact O-N 3.15Å; T141-D144 PolarHBondContact O-N 2.86Å; T141-D144 VanDerWaalsContact O-N 3.1Å; T141-N145 PolarHBondContact O-N 3.15Å; T141-N145 PolarHBondContact O-ND2 3.14Å
142C93.9Very high95.4Very high3 Ų348.4 Ų48.42%0.0227%0.27CS..Hα-helixtrans-59.4-33.5-172.773.60000114E138 L139 I146 P266 F267 Y268 N325E138-C142 PolarHBondContact O-N 2.87Å; E138-C142 VanDerWaalsContact O-N 3.08Å; L139-C142 PolarHBondContact O-SG 3.13Å; C142-I146 WeakPolarHBondContact O-CG1 3.49Å; C142-I146 PolarHBondContact O-N 2.82Å; C142-I146 VanDerWaalsContact O-N 3.15Å; C142-P266 HydrophobicContact CB-CB 4.33Å; C142-F267 HydrophobicContact CB-CD1 4.3Å; C142-F267 HydrophobicContact CB-CE1 4.06Å; C142-Y268 VanDerWaalsContact SG-CE1 3.51Å; C142-N325 HydrophobicContact CB-CB 3.94Å
143G93.5Very high95.3Very high24 Ų2450.5 Ų50.525%0.24728%0.28CS..Hα-helixtrans-69.1-39.2178.700000112.2T141 S147T141-G143 VanDerWaalsContact C-N 3.26Å; T141-G143 PolarHBondContact O-N 3.19Å; T141-G143 VanDerWaalsContact O-N 3.15Å; G143-S147 WeakPolarHBondContact O-CB 3.44Å; G143-S147 PolarHBondContact O-N 2.9Å; G143-S147 PolarHBondContact O-OG 3Å
144D95.3Very high95.2Very high111 Ų11147.2 Ų47.259%0.59426%0.263SS*.Hα-helixtrans-70.5-40.4178.1-63.3-27.8000110.6T141 I146 S147 A148T141-D144 PolarHBondContact O-N 2.86Å; T141-D144 VanDerWaalsContact O-N 3.1Å; D144-I146 VanDerWaalsContact C-N 3.33Å; D144-I146 PolarHBondContact O-N 3.27Å; D144-S147 CarbonylContact O-C 3.51Å; D144-S147 PolarHBondContact O-N 2.83Å; D144-S147 VanDerWaalsContact O-N 3.12Å; D144-A148 WeakPolarHBondContact O-CB 3.35Å; D144-A148 PolarHBondContact O-N 2.83Å
145N95.4Very high95.1Very high66 Ų6645.1 Ų45.135%0.35325%0.251SS..Hα-helixtrans-63.4-37.2177-66.1-21.8000112.8T141 Q149 N325T141-N145 PolarHBondContact O-N 3.15Å; T141-N145 PolarHBondContact O-ND2 3.14Å; N145-Q149 PolarHBondContact O-NE2 3.13Å; N145-Q149 VanDerWaalsContact O-NE2 3.13Å; N145-N325 HydrophobicContact CB-CB 4.16Å; N145-N325 WeakPolarHBondContact CB-O 3.33Å
146I96.3Very high95Very high0 Ų048.4 Ų48.40%028%0.275CS..Hα-helixtrans-67.7-43.7172.6-70.1167.1000110.1C142 D144 A148 Q149 T168 F172 C264 P266 I323C142-I146 WeakPolarHBondContact O-CG1 3.49Å; C142-I146 PolarHBondContact O-N 2.82Å; C142-I146 VanDerWaalsContact O-N 3.15Å; D144-I146 VanDerWaalsContact C-N 3.33Å; D144-I146 PolarHBondContact O-N 3.27Å; I146-A148 VanDerWaalsContact C-N 3.3Å; I146-A148 PolarHBondContact O-N 3.3Å; I146-Q149 PolarHBondContact O-N 3.47Å; I146-T168 HydrophobicContact CB-CG2 4.42Å; I146-T168 HydrophobicContact CD1-CG2 3.98Å; I146-T168 HydrophobicContact CG2-CG2 3.8Å; I146-F172 HydrophobicContact CG2-CD2 3.85Å; I146-F172 HydrophobicContact CG2-CE2 4.39Å; I146-F172 VanDerWaalsContact O-CD2 3.29Å; I146-F172 WeakPolarHBondContact O-CD2 3.43Å; I146-F172 WeakPolarHBondContact O-CE2 3.4Å; I146-C264 HydrophobicContact CG2-CB 4.23Å; I146-P266 HydrophobicContact CD1-CB 3.81Å; I146-P266 HydrophobicContact CD1-CG 4.41Å; I146-I323 HydrophobicContact CG2-CG2 4.03Å
147S95.8Very high94.9Very high10 Ų1050.7 Ų50.77%0.0730%0.302CS..Hα-helixtrans-65.9-33.5-178.2-55.60000112.2G143 D144 Q149 A150 S171 A175G143-S147 WeakPolarHBondContact O-CB 3.44Å; G143-S147 PolarHBondContact O-N 2.9Å; G143-S147 PolarHBondContact O-OG 3Å; D144-S147 CarbonylContact O-C 3.51Å; D144-S147 PolarHBondContact O-N 2.83Å; D144-S147 VanDerWaalsContact O-N 3.12Å; S147-Q149 PolarHBondContact O-N 3.02Å; S147-A150 WeakPolarHBondContact O-CB 3.47Å; S147-A150 PolarHBondContact O-N 3.17Å; S147-S171 VanDerWaalsContact OG-CB 3.22Å; S147-S171 WeakPolarHBondContact OG-CB 3.44Å; S147-A175 WeakPolarHBondContact O-CB 3.07Å
148A95.2Very high94.9Very high71 Ų7149.5 Ų49.559%0.58729%0.288SS*.Hα-helixtrans-61.3-30.5175.700000113D144 I146 A150D144-A148 WeakPolarHBondContact O-CB 3.35Å; D144-A148 PolarHBondContact O-N 2.83Å; I146-A148 VanDerWaalsContact C-N 3.3Å; I146-A148 PolarHBondContact O-N 3.3Å; A148-A150 PolarHBondContact O-N 3.46Å
149Q95.1Very high95Very high31 Ų3147 Ų4715%0.14528%0.278CS..THydrogen-bonded Turntrans-76.4-8.5177.4-67.2170.471.700112.9N145 I146 S147 E151 D152 H153 I323 T324N145-Q149 PolarHBondContact O-NE2 3.13Å; N145-Q149 VanDerWaalsContact O-NE2 3.13Å; I146-Q149 PolarHBondContact O-N 3.47Å; S147-Q149 PolarHBondContact O-N 3.02Å; Q149-E151 VanDerWaalsContact C-N 3.33Å; Q149-E151 PolarHBondContact O-N 2.97Å; Q149-D152 PolarHBondContact O-N 3.4Å; Q149-H153 PolarHBondContact O-CD2 3.28Å; Q149-H153 VanDerWaalsContact O-CD2 3.22Å; Q149-I323 HydrophobicContact CB-CG2 4.34Å; Q149-T324 PolarHBondContact NE2-O 3.26Å
150A94.9Very high95.1Very high0 Ų046.9 Ų46.90%028%0.278CS..Hα-helixtrans-64.5-34.5-172.300000114.3S147 A148 D152 H153 I154 F172 A175 A176S147-A150 WeakPolarHBondContact O-CB 3.47Å; S147-A150 PolarHBondContact O-N 3.17Å; A148-A150 PolarHBondContact O-N 3.46Å; A150-D152 PolarHBondContact O-N 3.04Å; A150-H153 PolarHBondContact O-N 2.85Å; A150-I154 PolarHBondContact O-N 3.12Å; A150-F172 VanDerWaalsContact CA-CE2 3.5Å; A150-F172 HydrophobicContact CB-CD1 3.77Å; A150-F172 HydrophobicContact CB-CD2 3.65Å; A150-F172 HydrophobicContact CB-CE1 3.75Å; A150-F172 HydrophobicContact CB-CE2 3.66Å; A150-F172 HydrophobicContact CB-CG 3.73Å; A150-F172 HydrophobicContact CB-CZ 3.73Å; A150-F172 WeakPolarHBondContact CB-O 2.97Å; A150-A175 HydrophobicContact CB-CB 4.12Å; A150-A176 HydrophobicContact CB-CB 3.94Å
151E91.8Very high95.3Very high61 Ų6141.7 Ų41.729%0.28525%0.254SS..Hα-helixtrans-64.6-26.1180-59-170.3164.200112.6Q149 K155 R179Q149-E151 VanDerWaalsContact C-N 3.33Å; Q149-E151 PolarHBondContact O-N 2.97Å; E151-K155 PolarHBondContact O-NZ 2.82Å; E151-R179 WeakPolarHBondContact OE1-CD 3.32Å; E151-R179 IonicContact OE1-NE 3.26Å; E151-R179 PolarHBondContact OE1-NE 3.35Å; E151-R179 WeakPolarHBondContact OE2-CD 3.44Å; E151-R179 IonicContact OE2-NE 2.94Å; E151-R179 PolarHBondContact OE2-NE 3.43Å
152D92.7Very high95.4Very high116 Ų11638.9 Ų38.962%0.6224%0.236SC*.Hα-helixtrans-79.1-30.1179.9-68.6-29.5000112.2Q149 A150 K155Q149-D152 PolarHBondContact O-N 3.4Å; A150-D152 PolarHBondContact O-N 3.04Å; D152-K155 WeakPolarHBondContact O-CE 3.32Å; D152-K155 PolarHBondContact O-NZ 2.99Å
153H94.7Very high95.5Very high47 Ų4739.3 Ų39.322%0.21824%0.238CC..Hα-helixtrans-96.6-30.1-174.8-66.9-66.7000114.7Q149 A150 F172 K227 I262 L321 I323Q149-H153 PolarHBondContact O-CD2 3.28Å; Q149-H153 VanDerWaalsContact O-CD2 3.22Å; A150-H153 PolarHBondContact O-N 2.85Å; H153-F172 HydrophobicContact CB-CZ 4.2Å; H153-K227 WeakPolarHBondContact O-CE 3.43Å; H153-I262 HydrophobicContact CB-CD1 4.44Å; H153-L321 WeakPolarHBondContact CE1-CD2 3.47Å; H153-I323 WeakPolarHBondContact CD2-CD1 3.12Å
154I96.2Very high95.5Very high0 Ų038.4 Ų38.40%023%0.228CC..  trans-105.6125.3-179.6-59.1172.2000109.4A150 V160 F172 L173 A176 Q180 F182 I229A150-I154 PolarHBondContact O-N 3.12Å; I154-V160 HydrophobicContact CG1-CG2 4.42Å; I154-V160 HydrophobicContact CG2-CG2 4.42Å; I154-F172 HydrophobicContact CD1-CD1 3.97Å; I154-F172 HydrophobicContact CD1-CE1 3.75Å; I154-F172 HydrophobicContact CG1-CE1 4.19Å; I154-L173 HydrophobicContact CD1-CD2 3.88Å; I154-A176 HydrophobicContact CB-CB 3.9Å; I154-A176 HydrophobicContact CD1-CB 3.68Å; I154-A176 HydrophobicContact CG1-CB 4.3Å; I154-A176 HydrophobicContact CG2-CB 4.23Å; I154-Q180 WeakPolarHBondContact O-CG 3.41Å; I154-F182 HydrophobicContact CD1-CE2 4.4Å; I154-F182 HydrophobicContact CD1-CZ 4.29Å; I154-F182 HydrophobicContact CG2-CB 4.18Å; I154-F182 HydrophobicContact CG2-CD1 3.56Å; I154-F182 HydrophobicContact CG2-CD2 3.92Å; I154-F182 HydrophobicContact CG2-CE1 3.82Å; I154-F182 HydrophobicContact CG2-CE2 4.15Å; I154-F182 HydrophobicContact CG2-CG 3.62Å; I154-F182 HydrophobicContact CG2-CZ 4.11Å; I154-I229 HydrophobicContact CD1-CD1 3.67Å; I154-I229 HydrophobicContact CG1-CD1 3.73Å
155K94.8Very high95.6Very high94 Ų9437.3 Ų37.341%0.40922%0.216SC..  trans-113.9157.5179.4-55.3-57173-162.10111.3E151 D152 G157 D158E151-K155 PolarHBondContact O-NZ 2.82Å; D152-K155 WeakPolarHBondContact O-CE 3.32Å; D152-K155 PolarHBondContact O-NZ 2.99Å; K155-G157 PolarHBondContact O-N 3.4Å; K155-D158 PolarHBondContact N-OD2 2.59Å; K155-D158 VanDerWaalsContact O-CB 3.27Å; K155-D158 WeakPolarHBondContact O-CB 3.39Å; K155-D158 VanDerWaalsContact O-CG 3.32Å; K155-D158 PolarHBondContact O-N 2.81Å; K155-D158 VanDerWaalsContact O-N 3.12Å
156S94.1Very high95.6Very high79 Ų7935.1 Ų35.155%0.55221%0.206SC*.THydrogen-bonded Turntrans-61.7132.6178.8-159.20000111R181S156-R181 CarbonylContact C-O 3.57Å; S156-R181 VanDerWaalsContact CA-O 3.27Å; S156-R181 WeakPolarHBondContact CA-O 3.21Å; S156-R181 PolarHBondContact OG-O 3.36Å; S156-R181 VanDerWaalsContact OG-O 3.11Å
157G94.2Very high95.5Very high58 Ų5841.8 Ų41.860%0.59824%0.235SC*.THydrogen-bonded Turntrans90-6.5-176.400000114.5K155 R181K155-G157 PolarHBondContact O-N 3.4Å; G157-R181 PolarHBondContact N-O 3.31Å
158D96.9Very high95.5Very high22 Ų2242 Ų4212%0.11824%0.236CC..  trans-61.4147.4173.2-78.7-20.6000111.4K155 V160 F182 N183 K227K155-D158 PolarHBondContact N-OD2 2.59Å; K155-D158 VanDerWaalsContact O-CB 3.27Å; K155-D158 WeakPolarHBondContact O-CB 3.39Å; K155-D158 VanDerWaalsContact O-CG 3.32Å; K155-D158 PolarHBondContact O-N 2.81Å; K155-D158 VanDerWaalsContact O-N 3.12Å; D158-V160 HydrophobicContact CB-CG2 4.43Å; D158-F182 HydrophobicContact CB-CB 4.3Å; D158-F182 WeakPolarHBondContact O-CA 3.49Å; D158-F182 VanDerWaalsContact O-CB 3.29Å; D158-F182 WeakPolarHBondContact O-CB 3.4Å; D158-N183 PolarHBondContact O-N 2.66Å; D158-K227 IonicContact OD1-NZ 3.83Å; D158-K227 PolarHBondContact OD1-NZ 2.92Å; D158-K227 IonicContact OD2-NZ 2.64Å; D158-K227 PolarHBondContact OD2-NZ 3.21Å
159T98Very high95.6Very high23 Ų2338.7 Ų38.714%0.14121%0.209CC..EExtended strand (participates in β ladder)trans-111.5108.8164.6-61.30000107.5N183 I185 Q224 S226 K227T159-N183 WeakPolarHBondContact CA-O 3.1Å; T159-N183 HydrophobicContact CG2-CB 4.3Å; T159-N183 PolarHBondContact OG1-ND2 3Å; T159-I185 HydrophobicContact CG2-CD1 3.45Å; T159-I185 VanDerWaalsContact CG2-CD1 3.45Å; T159-I185 HydrophobicContact CG2-CG1 3.89Å; T159-Q224 VanDerWaalsContact CB-O 3.23Å; T159-Q224 WeakPolarHBondContact CB-O 3.35Å; T159-Q224 WeakPolarHBondContact CG2-O 3.21Å; T159-S226 PolarHBondContact N-OG 2.89Å; T159-S226 PolarHBondContact O-N 3.44Å; T159-S226 PolarHBondContact O-OG 3Å; T159-K227 PolarHBondContact O-N 3.06Å
160V98.1Very high95.7Very high0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-96.7131.9-178.6175.40000108.9I154 D158 L173 F182 N183 V184 I185 K227 I229I154-V160 HydrophobicContact CG1-CG2 4.42Å; I154-V160 HydrophobicContact CG2-CG2 4.42Å; D158-V160 HydrophobicContact CB-CG2 4.43Å; V160-L173 HydrophobicContact CG1-CD2 4.24Å; V160-F182 HydrophobicContact CG2-CD2 4.23Å; V160-N183 PolarHBondContact N-O 3Å; V160-V184 HydrophobicContact CB-CG2 4.48Å; V160-V184 CarbonylContact O-C 3.57Å; V160-V184 VanDerWaalsContact O-CA 3.25Å; V160-V184 WeakPolarHBondContact O-CA 3.39Å; V160-I185 PolarHBondContact O-N 2.69Å; V160-K227 CarbonylContact C-O 3.59Å; V160-K227 WeakPolarHBondContact CA-O 3.4Å; V160-I229 HydrophobicContact CG1-CB 3.85Å; V160-I229 HydrophobicContact CG1-CD1 3.74Å; V160-I229 HydrophobicContact CG1-CG1 3.71Å; V160-I229 HydrophobicContact CG2-CD1 4.28Å
161M98.3Very high95.7Very high0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans-105.5137.4170.8-175.2177-8200110.6I185 I213 I218 M222 T225 K227 V228 I229 L250M161-I185 CarbonylContact C-O 3.49Å; M161-I185 VanDerWaalsContact CA-O 3.29Å; M161-I185 WeakPolarHBondContact CA-O 3.5Å; M161-I185 HydrophobicContact CB-CB 4.38Å; M161-I185 HydrophobicContact CE-CB 4.24Å; M161-I185 HydrophobicContact CE-CD1 4.21Å; M161-I185 HydrophobicContact CE-CG2 3.76Å; M161-I185 HydrophobicContact CG-CB 4.34Å; M161-I185 HydrophobicContact CG-CG2 4.38Å; M161-I213 HydrophobicContact CE-CD1 4.04Å; M161-I218 HydrophobicContact SD-CG2 4.18Å; M161-M222 HydrophobicContact SD-CE 3.56Å; M161-M222 VanDerWaalsContact SD-CE 3.56Å; M161-M222 HydrophobicContact SD-SD 4.17Å; M161-T225 HydrophobicContact CB-CG2 3.46Å; M161-T225 VanDerWaalsContact CB-CG2 3.46Å; M161-T225 VanDerWaalsContact CE-OG1 3.25Å; M161-T225 WeakPolarHBondContact CE-OG1 3.45Å; M161-K227 PolarHBondContact N-O 3.31Å; M161-V228 HydrophobicContact CB-CG2 4.32Å; M161-V228 CarbonylContact O-C 3.51Å; M161-V228 WeakPolarHBondContact O-CA 3.45Å; M161-I229 PolarHBondContact O-N 3.01Å; M161-L250 HydrophobicContact CG-CD1 4.02Å; M161-L250 HydrophobicContact SD-CD1 3.52Å; M161-L250 VanDerWaalsContact SD-CD1 3.52Å
162T97.8Very high96Very high1 Ų137.6 Ų37.61%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-136.8162.2177.1-177.10000109.9V184 I185 I186 A187 L198 I229T162-V184 HydrophobicContact CG2-CG1 3.89Å; T162-I185 PolarHBondContact N-O 2.56Å; T162-I186 HydrophobicContact CG2-CB 4.3Å; T162-I186 HydrophobicContact CG2-CG1 3.82Å; T162-I186 HydrophobicContact CG2-CG2 4.29Å; T162-A187 PolarHBondContact O-N 2.9Å; T162-L198 HydrophobicContact CG2-CD2 3.62Å; T162-I229 WeakPolarHBondContact CA-O 3.43Å; T162-I229 WeakPolarHBondContact CB-O 3.31Å; T162-I229 PolarHBondContact OG1-O 3.39Å; T162-I229 VanDerWaalsContact OG1-O 3.11Å
163L96.4Very high96.2Very high12 Ų1232.1 Ų32.16%0.06318%0.179CC..EExtended strand (participates in β ladder)trans-128.7138.1178.9178.2150.9000110.4A187 C189 I218 L250L163-A187 HydrophobicContact CB-CB 4.26Å; L163-A187 HydrophobicContact CD1-CB 4.4Å; L163-A187 HydrophobicContact CG-CB 4.27Å; L163-C189 HydrophobicContact CD2-CB 4.28Å; L163-C189 HydrophobicContact CG-CB 4.42Å; L163-I218 HydrophobicContact CD1-CD1 4.14Å; L163-L250 HydrophobicContact CB-CD2 3.85Å; L163-L250 HydrophobicContact CD1-CB 4.34Å; L163-L250 HydrophobicContact CD1-CD2 4.37Å
164S94.6Very high96.2Very high4 Ų433.3 Ų33.33%0.02818%0.183CC..SBendtrans58.5-163.8-179.3-167.90000113.4A187 E194S164-A187 PolarHBondContact N-O 3.49Å; S164-E194 VanDerWaalsContact OG-CB 3.31Å; S164-E194 WeakPolarHBondContact OG-CB 3.49Å; S164-E194 PolarHBondContact OG-OE2 2.83Å; S164-E194 VanDerWaalsContact OG-OE2 3.09Å
165Y95.8Very high96.2Very high88 Ų8834.5 Ų34.535%0.34519%0.193SC..  trans-108.3129.5175.9172.2-102.9000111.2E170 E194 L197 L198Y165-E170 VanDerWaalsContact CE2-OE2 3.25Å; Y165-E170 WeakPolarHBondContact CE2-OE2 3.38Å; Y165-E170 PolarHBondContact OH-OE2 2.96Å; Y165-E194 VanDerWaalsContact CB-O 3.3Å; Y165-E194 WeakPolarHBondContact CB-O 3.38Å; Y165-L197 HydrophobicContact CD2-CB 4.13Å; Y165-L197 HydrophobicContact CG-CB 4.2Å; Y165-L198 HydrophobicContact CD2-CB 3.98Å; Y165-L198 HydrophobicContact CD2-CD1 4.3Å
166S95.4Very high96.2Very high21 Ų2130 Ų3015%0.14717%0.173CC..  trans-137.9123.5170.5167.90000108.6T168 V169 E170S166-T168 PolarHBondContact O-N 2.94Å; S166-T168 PolarHBondContact OG-N 2.73Å; S166-V169 PolarHBondContact O-N 3.27Å; S166-V169 PolarHBondContact OG-N 2.96Å; S166-E170 PolarHBondContact O-N 3.24Å
167K94.7Very high96.3Very high139 Ų13926.6 Ų26.660%0.60415%0.15SC*.Hα-helixtrans-56.2-37.6176.5-170.8-179.9-174-173.10112E170 S171K167-E170 PolarHBondContact O-N 3.03Å; K167-S171 PolarHBondContact O-N 3.46Å; K167-S171 PolarHBondContact O-OG 3.17Å
168T95.9Very high96.2Very high16 Ų1629 Ų2910%0.09815%0.154CC..Hα-helixtrans-65.6-42.7177-51.80000111.1I146 S166 F172 C264I146-T168 HydrophobicContact CB-CG2 4.42Å; I146-T168 HydrophobicContact CD1-CG2 3.98Å; I146-T168 HydrophobicContact CG2-CG2 3.8Å; S166-T168 PolarHBondContact O-N 2.94Å; S166-T168 PolarHBondContact OG-N 2.73Å; T168-F172 VanDerWaalsContact O-CB 3.25Å; T168-F172 WeakPolarHBondContact O-CB 3.28Å; T168-F172 PolarHBondContact O-N 2.9Å; T168-C264 HydrophobicContact CG2-CB 3.9Å
169V96.9Very high96Very high1 Ų136.8 Ų36.81%0.00618%0.181CC..Hα-helixtrans-69.8-39177.9176.30000110.8S166 F172 L173 I229 C264S166-V169 PolarHBondContact O-N 3.27Å; S166-V169 PolarHBondContact OG-N 2.96Å; V169-F172 WeakPolarHBondContact O-CB 3.33Å; V169-F172 PolarHBondContact O-N 2.91Å; V169-L173 HydrophobicContact CG1-CD1 3.77Å; V169-L173 HydrophobicContact CG1-CG 4.04Å; V169-L173 WeakPolarHBondContact O-CB 3.21Å; V169-L173 VanDerWaalsContact O-CG 3.22Å; V169-L173 WeakPolarHBondContact O-CG 3.27Å; V169-L173 PolarHBondContact O-N 2.76Å; V169-I229 HydrophobicContact CG1-CG2 4.29Å; V169-C264 HydrophobicContact CG2-CB 4.4Å
170E96.9Very high95.7Very high27 Ų2737.6 Ų37.613%0.12618%0.183CC..Hα-helixtrans-56.3-53.6174-174.9-161.8151.600111.3Y165 S166 K167 F172 L173 K174 L198 A201Y165-E170 VanDerWaalsContact CE2-OE2 3.25Å; Y165-E170 WeakPolarHBondContact CE2-OE2 3.38Å; Y165-E170 PolarHBondContact OH-OE2 2.96Å; S166-E170 PolarHBondContact O-N 3.24Å; K167-E170 PolarHBondContact O-N 3.03Å; E170-F172 VanDerWaalsContact C-N 3.31Å; E170-F172 PolarHBondContact O-N 3.34Å; E170-L173 PolarHBondContact O-N 2.98Å; E170-K174 HydrophobicContact CG-CD 4.13Å; E170-K174 WeakPolarHBondContact O-CB 3.36Å; E170-K174 VanDerWaalsContact O-CG 3.32Å; E170-K174 WeakPolarHBondContact O-CG 3.47Å; E170-K174 PolarHBondContact O-N 3.34Å; E170-K174 WeakPolarHBondContact OE1-CE 3.03Å; E170-K174 IonicContact OE1-NZ 3.28Å; E170-K174 PolarHBondContact OE1-NZ 2.95Å; E170-L198 HydrophobicContact CB-CD1 3.78Å; E170-L198 HydrophobicContact CG-CD1 4.08Å; E170-A201 HydrophobicContact CG-CB 4.04Å
171S96Very high95.6Very high42 Ų4246 Ų4629%0.29422%0.215SC..Hα-helixtrans-61.4-39.9177.7-63.90000112S147 K167 K174 A175S147-S171 VanDerWaalsContact OG-CB 3.22Å; S147-S171 WeakPolarHBondContact OG-CB 3.44Å; K167-S171 PolarHBondContact O-N 3.46Å; K167-S171 PolarHBondContact O-OG 3.17Å; S171-K174 PolarHBondContact O-N 2.94Å; S171-A175 WeakPolarHBondContact O-CB 3.49Å; S171-A175 PolarHBondContact O-N 3.44Å
172F96.8Very high95.6Very high0 Ų046.1 Ų46.10%022%0.215CC..Hα-helixtrans-61.4-48.4176.8-168.9-89.9000112.1I146 A150 H153 I154 T168 V169 E170 A175 A176 I229 I323I146-F172 HydrophobicContact CG2-CD2 3.85Å; I146-F172 HydrophobicContact CG2-CE2 4.39Å; I146-F172 VanDerWaalsContact O-CD2 3.29Å; I146-F172 WeakPolarHBondContact O-CD2 3.43Å; I146-F172 WeakPolarHBondContact O-CE2 3.4Å; A150-F172 VanDerWaalsContact CA-CE2 3.5Å; A150-F172 HydrophobicContact CB-CD1 3.77Å; A150-F172 HydrophobicContact CB-CD2 3.65Å; A150-F172 HydrophobicContact CB-CE1 3.75Å; A150-F172 HydrophobicContact CB-CE2 3.66Å; A150-F172 HydrophobicContact CB-CG 3.73Å; A150-F172 HydrophobicContact CB-CZ 3.73Å; A150-F172 WeakPolarHBondContact CB-O 2.97Å; H153-F172 HydrophobicContact CB-CZ 4.2Å; I154-F172 HydrophobicContact CD1-CD1 3.97Å; I154-F172 HydrophobicContact CD1-CE1 3.75Å; I154-F172 HydrophobicContact CG1-CE1 4.19Å; T168-F172 VanDerWaalsContact O-CB 3.25Å; T168-F172 WeakPolarHBondContact O-CB 3.28Å; T168-F172 PolarHBondContact O-N 2.9Å; V169-F172 WeakPolarHBondContact O-CB 3.33Å; V169-F172 PolarHBondContact O-N 2.91Å; E170-F172 VanDerWaalsContact C-N 3.31Å; E170-F172 PolarHBondContact O-N 3.34Å; F172-A175 PolarHBondContact O-N 3.14Å; F172-A176 PolarHBondContact O-N 3.35Å; F172-A176 VanDerWaalsContact O-N 3.14Å; F172-I229 HydrophobicContact CD1-CD1 4.33Å; F172-I229 HydrophobicContact CD1-CG2 4.34Å; F172-I229 HydrophobicContact CE1-CD1 3.84Å; F172-I229 HydrophobicContact CE1-CG2 4.49Å; F172-I323 HydrophobicContact CE2-CD1 3.66Å; F172-I323 HydrophobicContact CE2-CG2 4.38Å; F172-I323 HydrophobicContact CZ-CD1 3.51Å
173L97Very high95.5Very high0 Ų048 Ų480%023%0.225CC..Hα-helixtrans-65.1-41177.7-65.5173.3000111.3I154 V160 V169 E170 A176 A177 F182 V184 L202I154-L173 HydrophobicContact CD1-CD2 3.88Å; V160-L173 HydrophobicContact CG1-CD2 4.24Å; V169-L173 HydrophobicContact CG1-CD1 3.77Å; V169-L173 HydrophobicContact CG1-CG 4.04Å; V169-L173 WeakPolarHBondContact O-CB 3.21Å; V169-L173 VanDerWaalsContact O-CG 3.22Å; V169-L173 WeakPolarHBondContact O-CG 3.27Å; V169-L173 PolarHBondContact O-N 2.76Å; E170-L173 PolarHBondContact O-N 2.98Å; L173-A176 PolarHBondContact O-N 3.02Å; L173-A177 VanDerWaalsContact O-CB 3.26Å; L173-A177 WeakPolarHBondContact O-CB 3.47Å; L173-A177 PolarHBondContact O-N 3.47Å; L173-F182 HydrophobicContact CD2-CE2 3.95Å; L173-F182 HydrophobicContact CD2-CZ 4.34Å; L173-V184 HydrophobicContact CD1-CG1 4.22Å; L173-V184 HydrophobicContact CD1-CG2 4.41Å; L173-V184 HydrophobicContact CD2-CG2 4.23Å; L173-L202 HydrophobicContact CB-CD2 4.36Å; L173-L202 HydrophobicContact CD1-CD1 3.87Å
174K96.2Very high95.6Very high73 Ų7347.4 Ų47.432%0.31722%0.222SC..Hα-helixtrans-63.6-40.2176.4-76.1179.7175.1178.70112.4E170 S171 A177 A201 L202E170-K174 HydrophobicContact CG-CD 4.13Å; E170-K174 WeakPolarHBondContact O-CB 3.36Å; E170-K174 VanDerWaalsContact O-CG 3.32Å; E170-K174 WeakPolarHBondContact O-CG 3.47Å; E170-K174 PolarHBondContact O-N 3.34Å; E170-K174 WeakPolarHBondContact OE1-CE 3.03Å; E170-K174 IonicContact OE1-NZ 3.28Å; E170-K174 PolarHBondContact OE1-NZ 2.95Å; S171-K174 PolarHBondContact O-N 2.94Å; K174-A177 WeakPolarHBondContact O-CB 3.35Å; K174-A177 PolarHBondContact O-N 2.94Å; K174-A201 WeakPolarHBondContact CE-O 3.3Å; K174-A201 PolarHBondContact NZ-O 3.44Å; K174-A201 VanDerWaalsContact NZ-O 3.14Å; K174-L202 HydrophobicContact CG-CD2 3.88Å
175A95.5Very high95.8Very high24 Ų2447.2 Ų47.220%0.19822%0.221CC..Hα-helixtrans-62.1-50.4176.900000111.3S147 A150 S171 F172 A177 T178S147-A175 WeakPolarHBondContact O-CB 3.07Å; A150-A175 HydrophobicContact CB-CB 4.12Å; S171-A175 WeakPolarHBondContact O-CB 3.49Å; S171-A175 PolarHBondContact O-N 3.44Å; F172-A175 PolarHBondContact O-N 3.14Å; A175-A177 PolarHBondContact O-N 3.27Å; A175-T178 VanDerWaalsContact O-CB 3.27Å; A175-T178 WeakPolarHBondContact O-CB 3.44Å; A175-T178 PolarHBondContact O-N 3.46Å; A175-T178 VanDerWaalsContact O-N 3.14Å; A175-T178 PolarHBondContact O-OG1 2.85Å
176A95.7Very high95.9Very high0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-59.2-35.5176.200000113A150 I154 F172 L173 T178 R179 Q180 F182A150-A176 HydrophobicContact CB-CB 3.94Å; I154-A176 HydrophobicContact CB-CB 3.9Å; I154-A176 HydrophobicContact CD1-CB 3.68Å; I154-A176 HydrophobicContact CG1-CB 4.3Å; I154-A176 HydrophobicContact CG2-CB 4.23Å; F172-A176 PolarHBondContact O-N 3.35Å; F172-A176 VanDerWaalsContact O-N 3.14Å; L173-A176 PolarHBondContact O-N 3.02Å; A176-T178 PolarHBondContact O-N 3.33Å; A176-T178 VanDerWaalsContact O-N 3.15Å; A176-R179 PolarHBondContact O-N 3.19Å; A176-Q180 WeakPolarHBondContact O-CB 3.5Å; A176-Q180 PolarHBondContact O-N 2.92Å; A176-F182 HydrophobicContact CB-CE1 3.9Å; A176-F182 HydrophobicContact CB-CZ 4.13Å
177A94.9Very high96Very high7 Ų742 Ų426%0.05820%0.198CC..THydrogen-bonded Turntrans-67.5-10.3-179.100000114.5L173 K174 A175 R179 F182 T207 I208L173-A177 VanDerWaalsContact O-CB 3.26Å; L173-A177 WeakPolarHBondContact O-CB 3.47Å; L173-A177 PolarHBondContact O-N 3.47Å; K174-A177 WeakPolarHBondContact O-CB 3.35Å; K174-A177 PolarHBondContact O-N 2.94Å; A175-A177 PolarHBondContact O-N 3.27Å; A177-R179 VanDerWaalsContact C-N 3.33Å; A177-F182 HydrophobicContact CB-CE1 4.1Å; A177-F182 HydrophobicContact CB-CZ 4.36Å; A177-T207 WeakPolarHBondContact CB-OG1 3.26Å; A177-T207 WeakPolarHBondContact O-CB 3.22Å; A177-T207 WeakPolarHBondContact O-CG2 3.43Å; A177-T207 PolarHBondContact O-OG1 2.88Å; A177-I208 HydrophobicContact CB-CD1 3.63Å; A177-I208 HydrophobicContact CB-CG1 3.57Å
178T93.1Very high96Very high110 Ų11037.9 Ų37.968%0.67518%0.181SC*.THydrogen-bonded Turntrans-65.7-36.4173.5-51.60000111.7A175 A176A175-T178 VanDerWaalsContact O-CB 3.27Å; A175-T178 WeakPolarHBondContact O-CB 3.44Å; A175-T178 PolarHBondContact O-N 3.46Å; A175-T178 VanDerWaalsContact O-N 3.14Å; A175-T178 PolarHBondContact O-OG1 2.85Å; A176-T178 PolarHBondContact O-N 3.33Å; A176-T178 VanDerWaalsContact O-N 3.15Å
179R91.4Very high95.9Very high184 Ų18437.6 Ų37.669%0.69418%0.179SC*.THydrogen-bonded Turntrans-118.6-26.8-176.9-63-172.1-174.9-95-1114E151 A176 A177E151-R179 WeakPolarHBondContact OE1-CD 3.32Å; E151-R179 IonicContact OE1-NE 3.26Å; E151-R179 PolarHBondContact OE1-NE 3.35Å; E151-R179 WeakPolarHBondContact OE2-CD 3.44Å; E151-R179 IonicContact OE2-NE 2.94Å; E151-R179 PolarHBondContact OE2-NE 3.43Å; A176-R179 PolarHBondContact O-N 3.19Å; A177-R179 VanDerWaalsContact C-N 3.33Å
180Q93.3Very high95.8Very high40 Ų4039.9 Ų39.919%0.18720%0.198CC..  trans-107.9146.6-171-52.8-66.6-17.600110.9I154 A176 F182I154-Q180 WeakPolarHBondContact O-CG 3.41Å; A176-Q180 WeakPolarHBondContact O-CB 3.5Å; A176-Q180 PolarHBondContact O-N 2.92Å; Q180-F182 HydrophobicContact CB-CD1 4Å; Q180-F182 HydrophobicContact CB-CE1 4.4Å
181R95.5Very high95.4Very high176 Ų17640.7 Ų40.766%0.66421%0.205SC*.  trans-111.4118.3169.4-69.7-174.9173.5103.9-1.1109.4S156 G157 T207S156-R181 CarbonylContact C-O 3.57Å; S156-R181 VanDerWaalsContact CA-O 3.27Å; S156-R181 WeakPolarHBondContact CA-O 3.21Å; S156-R181 PolarHBondContact OG-O 3.36Å; S156-R181 VanDerWaalsContact OG-O 3.11Å; G157-R181 PolarHBondContact N-O 3.31Å; R181-T207 WeakPolarHBondContact CA-O 3.14Å; R181-T207 HydrophobicContact CG-CG2 4.1Å
182F97.1Very high95.2Very high3 Ų342 Ų421%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-148.1167.9-173.660.9-86.4000110.7I154 D158 V160 L173 A176 A177 Q180 V184 T207 I208 R209I154-F182 HydrophobicContact CD1-CE2 4.4Å; I154-F182 HydrophobicContact CD1-CZ 4.29Å; I154-F182 HydrophobicContact CG2-CB 4.18Å; I154-F182 HydrophobicContact CG2-CD1 3.56Å; I154-F182 HydrophobicContact CG2-CD2 3.92Å; I154-F182 HydrophobicContact CG2-CE1 3.82Å; I154-F182 HydrophobicContact CG2-CE2 4.15Å; I154-F182 HydrophobicContact CG2-CG 3.62Å; I154-F182 HydrophobicContact CG2-CZ 4.11Å; D158-F182 HydrophobicContact CB-CB 4.3Å; D158-F182 WeakPolarHBondContact O-CA 3.49Å; D158-F182 VanDerWaalsContact O-CB 3.29Å; D158-F182 WeakPolarHBondContact O-CB 3.4Å; V160-F182 HydrophobicContact CG2-CD2 4.23Å; L173-F182 HydrophobicContact CD2-CE2 3.95Å; L173-F182 HydrophobicContact CD2-CZ 4.34Å; A176-F182 HydrophobicContact CB-CE1 3.9Å; A176-F182 HydrophobicContact CB-CZ 4.13Å; A177-F182 HydrophobicContact CB-CE1 4.1Å; A177-F182 HydrophobicContact CB-CZ 4.36Å; Q180-F182 HydrophobicContact CB-CD1 4Å; Q180-F182 HydrophobicContact CB-CE1 4.4Å; F182-V184 HydrophobicContact CD2-CG2 3.74Å; F182-V184 HydrophobicContact CE2-CG2 3.4Å; F182-V184 VanDerWaalsContact CE2-CG2 3.4Å; F182-T207 PolarHBondContact N-O 3.2Å; F182-I208 HydrophobicContact CE1-CG1 4.28Å; F182-I208 HydrophobicContact CE2-CD1 4.48Å; F182-I208 HydrophobicContact CE2-CG1 4.32Å; F182-I208 HydrophobicContact CE2-CG2 4.4Å; F182-I208 HydrophobicContact CZ-CD1 4.05Å; F182-I208 HydrophobicContact CZ-CG1 3.94Å; F182-I208 WeakPolarHBondContact O-CA 3.46Å; F182-R209 PolarHBondContact O-N 2.98Å; F182-R209 VanDerWaalsContact O-N 3.09Å
183N97.4Very high95Very high40 Ų4044.8 Ų44.821%0.21422%0.224CC..EExtended strand (participates in β ladder)trans-103144.7178.2-47.4-48.1000109.2D158 T159 V160 R209D158-N183 PolarHBondContact O-N 2.66Å; T159-N183 WeakPolarHBondContact CA-O 3.1Å; T159-N183 HydrophobicContact CG2-CB 4.3Å; T159-N183 PolarHBondContact OG1-ND2 3Å; V160-N183 PolarHBondContact N-O 3Å; N183-R209 CarbonylContact C-O 3.53Å; N183-R209 WeakPolarHBondContact CA-O 3.35Å; N183-R209 HydrophobicContact CB-CB 4.46Å; N183-R209 WeakPolarHBondContact OD1-CB 3.48Å; N183-R209 WeakPolarHBondContact OD1-CD 3.24Å
184V97.9Very high94.9Very high0 Ų047.5 Ų47.50%024%0.236CC..EExtended strand (participates in β ladder)trans-124.1121.3175179.70000109.2V160 T162 L173 F182 I186 I208 R209 V210 H211V160-V184 HydrophobicContact CB-CG2 4.48Å; V160-V184 CarbonylContact O-C 3.57Å; V160-V184 VanDerWaalsContact O-CA 3.25Å; V160-V184 WeakPolarHBondContact O-CA 3.39Å; T162-V184 HydrophobicContact CG2-CG1 3.89Å; L173-V184 HydrophobicContact CD1-CG1 4.22Å; L173-V184 HydrophobicContact CD1-CG2 4.41Å; L173-V184 HydrophobicContact CD2-CG2 4.23Å; F182-V184 HydrophobicContact CD2-CG2 3.74Å; F182-V184 HydrophobicContact CE2-CG2 3.4Å; F182-V184 VanDerWaalsContact CE2-CG2 3.4Å; V184-I186 HydrophobicContact CG1-CD1 4.28Å; V184-I186 HydrophobicContact CG1-CG1 3.71Å; V184-I208 HydrophobicContact CB-CG2 3.94Å; V184-I208 HydrophobicContact CG2-CG2 3.47Å; V184-I208 VanDerWaalsContact CG2-CG2 3.47Å; V184-R209 PolarHBondContact N-O 3.44Å; V184-V210 CarbonylContact O-C 3.57Å; V184-V210 WeakPolarHBondContact O-CA 3.33Å; V184-H211 PolarHBondContact O-N 3.36Å
185I98.1Very high94.8Very high1 Ų144 Ų441%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-98.3119171.5-58.3171.2000107.7T159 V160 M161 T162 H211 I213 Q224T159-I185 HydrophobicContact CG2-CD1 3.45Å; T159-I185 VanDerWaalsContact CG2-CD1 3.45Å; T159-I185 HydrophobicContact CG2-CG1 3.89Å; V160-I185 PolarHBondContact O-N 2.69Å; M161-I185 CarbonylContact C-O 3.49Å; M161-I185 VanDerWaalsContact CA-O 3.29Å; M161-I185 WeakPolarHBondContact CA-O 3.5Å; M161-I185 HydrophobicContact CB-CB 4.38Å; M161-I185 HydrophobicContact CE-CB 4.24Å; M161-I185 HydrophobicContact CE-CD1 4.21Å; M161-I185 HydrophobicContact CE-CG2 3.76Å; M161-I185 HydrophobicContact CG-CB 4.34Å; M161-I185 HydrophobicContact CG-CG2 4.38Å; T162-I185 PolarHBondContact N-O 2.56Å; I185-H211 CarbonylContact C-O 3.53Å; I185-H211 WeakPolarHBondContact CA-O 3.4Å; I185-H211 HydrophobicContact CG1-CB 4.39Å; I185-I213 HydrophobicContact CG2-CB 4.5Å; I185-I213 HydrophobicContact CG2-CD1 3.58Å; I185-I213 HydrophobicContact CG2-CG1 3.79Å; I185-I213 HydrophobicContact CG2-CG2 3.92Å; I185-Q224 HydrophobicContact CD1-CG 3.98Å; I185-Q224 VanDerWaalsContact CD1-NE2 3.26Å
186I98Very high94.9Very high0 Ų046.9 Ų46.90%023%0.233CC..EExtended strand (participates in β ladder)trans-110.2116.2-177.7-52177.5000108.4T162 V184 G195 L198 A199 L202 V210 H211 V212 I213T162-I186 HydrophobicContact CG2-CB 4.3Å; T162-I186 HydrophobicContact CG2-CG1 3.82Å; T162-I186 HydrophobicContact CG2-CG2 4.29Å; V184-I186 HydrophobicContact CG1-CD1 4.28Å; V184-I186 HydrophobicContact CG1-CG1 3.71Å; I186-G195 WeakPolarHBondContact CG2-O 3.16Å; I186-L198 HydrophobicContact CD1-CB 4.22Å; I186-L198 HydrophobicContact CD1-CD2 4.11Å; I186-L198 HydrophobicContact CD1-CG 3.94Å; I186-L198 HydrophobicContact CG1-CD2 4.42Å; I186-L198 HydrophobicContact CG2-CD2 4.36Å; I186-A199 HydrophobicContact CD1-CB 3.97Å; I186-L202 HydrophobicContact CD1-CD1 4.36Å; I186-V210 HydrophobicContact CD1-CG1 3.6Å; I186-V210 HydrophobicContact CG1-CG1 4.28Å; I186-H211 PolarHBondContact N-O 3.31Å; I186-V212 WeakPolarHBondContact O-CA 3.27Å; I186-I213 PolarHBondContact O-N 3.45Å
187A97.5Very high94.9Very high0 Ų051.1 Ų51.10%026%0.255CS..EExtended strand (participates in β ladder)trans-73128165.600000109.5T162 L163 S164 C189 I213 I218T162-A187 PolarHBondContact O-N 2.9Å; L163-A187 HydrophobicContact CB-CB 4.26Å; L163-A187 HydrophobicContact CD1-CB 4.4Å; L163-A187 HydrophobicContact CG-CB 4.27Å; S164-A187 PolarHBondContact N-O 3.49Å; A187-C189 VanDerWaalsContact C-N 3.25Å; A187-C189 PolarHBondContact O-N 2.86Å; A187-I213 HydrophobicContact CB-CG1 4.43Å; A187-I218 HydrophobicContact CB-CD1 3.78Å; A187-I218 HydrophobicContact CB-CG1 3.85Å
188Q95.2Very high95Very high52 Ų5250.8 Ų50.824%0.24325%0.252CS..  trans-61.8-29.5-171.569.4-175.216.900113.8A190 N193 E194 G195 V212 I213 D215Q188-A190 HydrophobicContact CG-CB 4.48Å; Q188-N193 CarbonylContact O-C 3.48Å; Q188-N193 WeakPolarHBondContact O-CA 3.4Å; Q188-E194 PolarHBondContact O-N 3.44Å; Q188-G195 PolarHBondContact O-N 3.49Å; Q188-V212 HydrophobicContact CB-CG1 4.39Å; Q188-I213 PolarHBondContact N-O 3.27Å; Q188-I213 VanDerWaalsContact N-O 3.07Å; Q188-D215 PolarHBondContact N-OD1 2.9Å
189C94.6Very high95.2Very high10 Ų1046.4 Ų46.47%0.06823%0.227CC..  trans59.765.9-174.6-163.30000112.2L163 A187 N193 D215 V244L163-C189 HydrophobicContact CD2-CB 4.28Å; L163-C189 HydrophobicContact CG-CB 4.42Å; A187-C189 VanDerWaalsContact C-N 3.25Å; A187-C189 PolarHBondContact O-N 2.86Å; C189-N193 PolarHBondContact O-N 3.3Å; C189-D215 WeakPolarHBondContact CA-OD1 3.35Å; C189-D215 WeakPolarHBondContact CA-OD2 3.38Å; C189-D215 PolarHBondContact N-OD1 3.16Å; C189-D215 PolarHBondContact N-OD2 3.06Å; C189-V244 VanDerWaalsContact SG-CG1 3.57Å
190A92.9Very high95.4Very high48 Ų4844 Ų4440%0.39722%0.224SC..THydrogen-bonded Turntrans-65.3150.7172.700000110.7Q188 D215Q188-A190 HydrophobicContact CG-CB 4.48Å; A190-D215 PolarHBondContact N-OD2 2.92Å
191P90.3Very high95.5Very high44 Ų4443.2 Ų43.229%0.28622%0.224SC..THydrogen-bonded Turncis-86.3-16.58.933.1-35.6000115.2N193 E291P191-N193 VanDerWaalsContact C-N 3.27Å; P191-N193 PolarHBondContact O-N 3.2Å; P191-N193 PolarHBondContact O-ND2 3.04Å; P191-E291 VanDerWaalsContact CB-O 3.24Å; P191-E291 WeakPolarHBondContact CB-O 3.08Å; P191-E291 HydrophobicContact CG-CB 4.24Å
192L90.1Very high95.5Very high70 Ų7034.9 Ų34.937%0.36619%0.193SC..THydrogen-bonded Turntrans-72.6-20-175.7-66-177000113.7E194 E291L192-E194 HydrophobicContact CB-CG 3.84Å; L192-E194 HydrophobicContact CD1-CG 4.44Å; L192-E194 PolarHBondContact O-N 3.42Å; L192-E291 HydrophobicContact CD2-CG 4.23Å
193N93.7Very high95.2Very high58 Ų5842.7 Ų42.731%0.3123%0.227SC..THydrogen-bonded Turntrans55.333.6179.8-57.8-50.5000112.9Q188 C189 P191 G195 L196Q188-N193 CarbonylContact O-C 3.48Å; Q188-N193 WeakPolarHBondContact O-CA 3.4Å; C189-N193 PolarHBondContact O-N 3.3Å; P191-N193 VanDerWaalsContact C-N 3.27Å; P191-N193 PolarHBondContact O-N 3.2Å; P191-N193 PolarHBondContact O-ND2 3.04Å; N193-G195 PolarHBondContact O-N 3.15Å; N193-G195 VanDerWaalsContact O-N 3.14Å; N193-L196 HydrophobicContact CB-CD1 3.87Å; N193-L196 HydrophobicContact CB-CG 4.18Å; N193-L196 WeakPolarHBondContact O-CB 3.31Å; N193-L196 WeakPolarHBondContact O-CG 3.37Å; N193-L196 PolarHBondContact O-N 3.34Å
194E94.3Very high94.8Very high57 Ų5747.6 Ų47.627%0.26625%0.253SS..THydrogen-bonded Turntrans-60-26.1-178.2-70.6-175137.800112S164 Y165 Q188 L192 L196 L197S164-E194 VanDerWaalsContact OG-CB 3.31Å; S164-E194 WeakPolarHBondContact OG-CB 3.49Å; S164-E194 PolarHBondContact OG-OE2 2.83Å; S164-E194 VanDerWaalsContact OG-OE2 3.09Å; Y165-E194 VanDerWaalsContact CB-O 3.3Å; Y165-E194 WeakPolarHBondContact CB-O 3.38Å; Q188-E194 PolarHBondContact O-N 3.44Å; L192-E194 HydrophobicContact CB-CG 3.84Å; L192-E194 HydrophobicContact CD1-CG 4.44Å; L192-E194 PolarHBondContact O-N 3.42Å; E194-L196 PolarHBondContact O-N 3.43Å; E194-L196 VanDerWaalsContact O-N 3.13Å; E194-L197 VanDerWaalsContact O-CB 3.27Å; E194-L197 WeakPolarHBondContact O-CB 3.21Å; E194-L197 PolarHBondContact O-N 2.97Å
195G95.3Very high94.5Very high0 Ų048.9 Ų48.90%026%0.262CS..Hα-helixtrans-57.8-25.7173.400000113.7I186 Q188 N193 L197 L198 A199I186-G195 WeakPolarHBondContact CG2-O 3.16Å; Q188-G195 PolarHBondContact O-N 3.49Å; N193-G195 PolarHBondContact O-N 3.15Å; N193-G195 VanDerWaalsContact O-N 3.14Å; G195-L197 VanDerWaalsContact C-N 3.3Å; G195-L197 PolarHBondContact O-N 3.14Å; G195-L198 PolarHBondContact O-N 3.39Å; G195-A199 PolarHBondContact O-N 2.73Å
196L96.5Very high94Very high84 Ų8459 Ų5944%0.4431%0.306SS..Hα-helixtrans-66.8-31.6174.1-61-179.5000112.4N193 E194 L198 A199 E200 V212N193-L196 HydrophobicContact CB-CD1 3.87Å; N193-L196 HydrophobicContact CB-CG 4.18Å; N193-L196 WeakPolarHBondContact O-CB 3.31Å; N193-L196 WeakPolarHBondContact O-CG 3.37Å; N193-L196 PolarHBondContact O-N 3.34Å; E194-L196 PolarHBondContact O-N 3.43Å; E194-L196 VanDerWaalsContact O-N 3.13Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L196-A199 WeakPolarHBondContact O-CB 3.45Å; L196-A199 PolarHBondContact O-N 2.79Å; L196-E200 PolarHBondContact O-N 3.17Å; L196-V212 HydrophobicContact CD2-CG1 3.84Å; L196-V212 HydrophobicContact CD2-CG2 4.47Å
197L96.7Very high93.7Very high89 Ų8960.9 Ų60.947%0.46632%0.317SS..Hα-helixtrans-65.5-39.4174.7-57.9174.4000110.7Y165 E194 G195 E200 A201Y165-L197 HydrophobicContact CD2-CB 4.13Å; Y165-L197 HydrophobicContact CG-CB 4.2Å; E194-L197 VanDerWaalsContact O-CB 3.27Å; E194-L197 WeakPolarHBondContact O-CB 3.21Å; E194-L197 PolarHBondContact O-N 2.97Å; G195-L197 VanDerWaalsContact C-N 3.3Å; G195-L197 PolarHBondContact O-N 3.14Å; L197-E200 PolarHBondContact O-N 2.99Å; L197-A201 WeakPolarHBondContact O-CB 3.5Å; L197-A201 PolarHBondContact O-N 3.28Å
198L96.8Very high93.6Very high0 Ų061.4 Ų61.40%032%0.32CS..Hα-helixtrans-65.7-42.1173.8-174.660.1000111.2T162 Y165 E170 I186 G195 L196 E200 A201 L202T162-L198 HydrophobicContact CG2-CD2 3.62Å; Y165-L198 HydrophobicContact CD2-CB 3.98Å; Y165-L198 HydrophobicContact CD2-CD1 4.3Å; E170-L198 HydrophobicContact CB-CD1 3.78Å; E170-L198 HydrophobicContact CG-CD1 4.08Å; I186-L198 HydrophobicContact CD1-CB 4.22Å; I186-L198 HydrophobicContact CD1-CD2 4.11Å; I186-L198 HydrophobicContact CD1-CG 3.94Å; I186-L198 HydrophobicContact CG1-CD2 4.42Å; I186-L198 HydrophobicContact CG2-CD2 4.36Å; G195-L198 PolarHBondContact O-N 3.39Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L198-E200 VanDerWaalsContact C-N 3.31Å; L198-E200 PolarHBondContact O-N 3.2Å; L198-A201 PolarHBondContact O-N 3.32Å; L198-L202 HydrophobicContact CD1-CD1 4.08Å; L198-L202 HydrophobicContact CD1-CG 4.18Å; L198-L202 HydrophobicContact CG-CD1 4.04Å; L198-L202 HydrophobicContact CG-CG 4.47Å; L198-L202 VanDerWaalsContact O-CG 3.31Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 3.2Å
199A96.6Very high93.6Very high18 Ų1867.5 Ų67.515%0.14934%0.341CS..Hα-helixtrans-60.6-41.6176.200000111.9I186 G195 L196 L202 K203 V210 V212I186-A199 HydrophobicContact CD1-CB 3.97Å; G195-A199 PolarHBondContact O-N 2.73Å; L196-A199 WeakPolarHBondContact O-CB 3.45Å; L196-A199 PolarHBondContact O-N 2.79Å; A199-L202 PolarHBondContact O-N 2.79Å; A199-K203 PolarHBondContact O-N 3.19Å; A199-K203 VanDerWaalsContact O-N 3.09Å; A199-V210 HydrophobicContact CB-CG1 4.07Å; A199-V212 HydrophobicContact CB-CG2 3.68Å
200E96.3Very high93.7Very high135 Ų13569.2 Ų69.263%0.63135%0.351SS*.Hα-helixtrans-63.8-46.1174.1-175.7173.9-166.200111.7L196 L197 L198 L202 K203L196-E200 PolarHBondContact O-N 3.17Å; L197-E200 PolarHBondContact O-N 2.99Å; L198-E200 VanDerWaalsContact C-N 3.31Å; L198-E200 PolarHBondContact O-N 3.2Å; E200-L202 PolarHBondContact O-N 3.26Å; E200-K203 WeakPolarHBondContact O-CB 3.32Å; E200-K203 PolarHBondContact O-N 3.37Å; E200-K203 VanDerWaalsContact O-N 3.13Å
201A95.4Very high93.8Very high23 Ų2371.6 Ų71.619%0.1935%0.353CS..Hα-helixtrans-62.5-29.3-18000000113.4E170 K174 L197 L198E170-A201 HydrophobicContact CG-CB 4.04Å; K174-A201 WeakPolarHBondContact CE-O 3.3Å; K174-A201 PolarHBondContact NZ-O 3.44Å; K174-A201 VanDerWaalsContact NZ-O 3.14Å; L197-A201 WeakPolarHBondContact O-CB 3.5Å; L197-A201 PolarHBondContact O-N 3.28Å; L198-A201 PolarHBondContact O-N 3.32Å
202L95.7Very high94.2Very high1 Ų172.5 Ų72.51%0.00536%0.358CS..Hα-helixtrans-93.1-8.5178.4-62.1179.5000113.7L173 K174 I186 L198 A199 E200 N204 C205 I208 V210L173-L202 HydrophobicContact CB-CD2 4.36Å; L173-L202 HydrophobicContact CD1-CD1 3.87Å; K174-L202 HydrophobicContact CG-CD2 3.88Å; I186-L202 HydrophobicContact CD1-CD1 4.36Å; L198-L202 HydrophobicContact CD1-CD1 4.08Å; L198-L202 HydrophobicContact CD1-CG 4.18Å; L198-L202 HydrophobicContact CG-CD1 4.04Å; L198-L202 HydrophobicContact CG-CG 4.47Å; L198-L202 VanDerWaalsContact O-CG 3.31Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 3.2Å; A199-L202 PolarHBondContact O-N 2.79Å; E200-L202 PolarHBondContact O-N 3.26Å; L202-N204 PolarHBondContact O-N 3.46Å; L202-N204 VanDerWaalsContact O-N 3.11Å; L202-C205 VanDerWaalsContact O-CB 3.32Å; L202-C205 WeakPolarHBondContact O-CB 3.41Å; L202-C205 PolarHBondContact O-N 3.12Å; L202-I208 HydrophobicContact CD2-CD1 3.94Å; L202-V210 HydrophobicContact CB-CG2 3.91Å; L202-V210 HydrophobicContact CD1-CG2 4.49Å
203K90.8Very high94.5Very high167 Ų16770.1 Ų70.173%0.72635%0.345SS*.THydrogen-bonded Turntrans-54.4-34.7-178.2-176.4179.8177.6-179.60113.6A199 E200 C205A199-K203 PolarHBondContact O-N 3.19Å; A199-K203 VanDerWaalsContact O-N 3.09Å; E200-K203 WeakPolarHBondContact O-CB 3.32Å; E200-K203 PolarHBondContact O-N 3.37Å; E200-K203 VanDerWaalsContact O-N 3.13Å; K203-C205 VanDerWaalsContact C-N 3.3Å
204N89.1Confident94.7Very high142 Ų14270.1 Ų70.176%0.75935%0.349SS*.THydrogen-bonded Turntrans-80.2-11.3-178.3-65.2-28.9000113.2L202 K206L202-N204 PolarHBondContact O-N 3.46Å; L202-N204 VanDerWaalsContact O-N 3.11Å; N204-K206 PolarHBondContact O-N 3.21Å
205C91Very high94.7Very high28 Ų2869.7 Ų69.719%0.18935%0.348CS..  trans-82.897.5-179.9-640000110.7L202 K203 T207 I208L202-C205 VanDerWaalsContact O-CB 3.32Å; L202-C205 WeakPolarHBondContact O-CB 3.41Å; L202-C205 PolarHBondContact O-N 3.12Å; K203-C205 VanDerWaalsContact C-N 3.3Å; C205-T207 PolarHBondContact O-N 2.86Å; C205-T207 VanDerWaalsContact O-N 3.1Å; C205-I208 HydrophobicContact CB-CB 4.28Å; C205-I208 HydrophobicContact CB-CD1 3.85Å; C205-I208 HydrophobicContact CB-CG1 4.01Å; C205-I208 PolarHBondContact O-N 3.48Å
206K87.7Confident94.7Very high213 Ų21375 Ų7593%0.92639%0.386SS*.THydrogen-bonded Turntrans-62.1-19.4-179.5-64.1-177.1-178.6178.80114.6N204N204-K206 PolarHBondContact O-N 3.21Å
207T91.1Very high94.7Very high39 Ų3972 Ų7224%0.23937%0.373CS..THydrogen-bonded Turntrans-85.6-18.4-178.343.10000113.2A177 R181 F182 C205A177-T207 WeakPolarHBondContact CB-OG1 3.26Å; A177-T207 WeakPolarHBondContact O-CB 3.22Å; A177-T207 WeakPolarHBondContact O-CG2 3.43Å; A177-T207 PolarHBondContact O-OG1 2.88Å; R181-T207 WeakPolarHBondContact CA-O 3.14Å; R181-T207 HydrophobicContact CG-CG2 4.1Å; F182-T207 PolarHBondContact N-O 3.2Å; C205-T207 PolarHBondContact O-N 2.86Å; C205-T207 VanDerWaalsContact O-N 3.1Å
208I94.7Very high94.7Very high12 Ų1268.1 Ų68.16%0.06235%0.352CS..EExtended strand (participates in β ladder)trans-102127.4-179-53.7176.3000109.3A177 F182 V184 L202 C205 V210A177-I208 HydrophobicContact CB-CD1 3.63Å; A177-I208 HydrophobicContact CB-CG1 3.57Å; F182-I208 HydrophobicContact CE1-CG1 4.28Å; F182-I208 HydrophobicContact CE2-CD1 4.48Å; F182-I208 HydrophobicContact CE2-CG1 4.32Å; F182-I208 HydrophobicContact CE2-CG2 4.4Å; F182-I208 HydrophobicContact CZ-CD1 4.05Å; F182-I208 HydrophobicContact CZ-CG1 3.94Å; F182-I208 WeakPolarHBondContact O-CA 3.46Å; V184-I208 HydrophobicContact CB-CG2 3.94Å; V184-I208 HydrophobicContact CG2-CG2 3.47Å; V184-I208 VanDerWaalsContact CG2-CG2 3.47Å; L202-I208 HydrophobicContact CD2-CD1 3.94Å; C205-I208 HydrophobicContact CB-CB 4.28Å; C205-I208 HydrophobicContact CB-CD1 3.85Å; C205-I208 HydrophobicContact CB-CG1 4.01Å; C205-I208 PolarHBondContact O-N 3.48Å; I208-V210 HydrophobicContact CG2-CG2 3.87Å
209R95.5Very high94.8Very high179 Ų17973 Ų7368%0.67537%0.374SS*.EExtended strand (participates in β ladder)trans-93.2113.9167.1-65-177.3-179.5172.1-0.7109.4F182 N183 V184F182-R209 PolarHBondContact O-N 2.98Å; F182-R209 VanDerWaalsContact O-N 3.09Å; N183-R209 CarbonylContact C-O 3.53Å; N183-R209 WeakPolarHBondContact CA-O 3.35Å; N183-R209 HydrophobicContact CB-CB 4.46Å; N183-R209 WeakPolarHBondContact OD1-CB 3.48Å; N183-R209 WeakPolarHBondContact OD1-CD 3.24Å; V184-R209 PolarHBondContact N-O 3.44Å
210V96.8Very high94.7Very high47 Ų4775.7 Ų75.729%0.28539%0.392SS..EExtended strand (participates in β ladder)trans-97.1129-176-179.10000110.4V184 I186 A199 L202 I208 V212V184-V210 CarbonylContact O-C 3.57Å; V184-V210 WeakPolarHBondContact O-CA 3.33Å; I186-V210 HydrophobicContact CD1-CG1 3.6Å; I186-V210 HydrophobicContact CG1-CG1 4.28Å; A199-V210 HydrophobicContact CB-CG1 4.07Å; L202-V210 HydrophobicContact CB-CG2 3.91Å; L202-V210 HydrophobicContact CD1-CG2 4.49Å; I208-V210 HydrophobicContact CG2-CG2 3.87Å; V210-V212 HydrophobicContact CG1-CG2 4.49Å
211H96.1Very high94.7Very high97 Ų9770 Ų7045%0.44937%0.367SS..EExtended strand (participates in β ladder)trans-122.3125.2172.5-62.7-80.8000108.8V184 I185 I186V184-H211 PolarHBondContact O-N 3.36Å; I185-H211 CarbonylContact C-O 3.53Å; I185-H211 WeakPolarHBondContact CA-O 3.4Å; I185-H211 HydrophobicContact CG1-CB 4.39Å; I186-H211 PolarHBondContact N-O 3.31Å
212V97.1Very high94.8Very high63 Ų6369 Ų6938%0.38236%0.358SS..EExtended strand (participates in β ladder)trans-100134174.8-179.60000108.8I186 Q188 L196 A199 V210I186-V212 WeakPolarHBondContact O-CA 3.27Å; Q188-V212 HydrophobicContact CB-CG1 4.39Å; L196-V212 HydrophobicContact CD2-CG1 3.84Å; L196-V212 HydrophobicContact CD2-CG2 4.47Å; A199-V212 HydrophobicContact CB-CG2 3.68Å; V210-V212 HydrophobicContact CG1-CG2 4.49Å
213I97.3Very high94.8Very high20 Ų2073.1 Ų73.110%0.10339%0.387CS..EExtended strand (participates in β ladder)trans-126.8152178.763.8167.1000110.9M161 I185 I186 A187 Q188 A217 I218M161-I213 HydrophobicContact CE-CD1 4.04Å; I185-I213 HydrophobicContact CG2-CB 4.5Å; I185-I213 HydrophobicContact CG2-CD1 3.58Å; I185-I213 HydrophobicContact CG2-CG1 3.79Å; I185-I213 HydrophobicContact CG2-CG2 3.92Å; I186-I213 PolarHBondContact O-N 3.45Å; A187-I213 HydrophobicContact CB-CG1 4.43Å; Q188-I213 PolarHBondContact N-O 3.27Å; Q188-I213 VanDerWaalsContact N-O 3.07Å; I213-A217 HydrophobicContact CB-CB 4.35Å; I213-I218 HydrophobicContact CD1-CG1 4.26Å
214P96.9Very high95Very high59 Ų5970.6 Ų70.638%0.38338%0.378SS..  trans-68.7154.3166.531.1-35000110.3S216 A217P214-S216 PolarHBondContact O-N 3.05Å; P214-A217 HydrophobicContact CG-CB 3.81Å; P214-A217 PolarHBondContact O-N 3.24Å
215D95.4Very high95.4Very high48 Ų4864.3 Ų64.326%0.25734%0.344SS..G310 helixtrans-62.1-29-177.3-53-34.9000112.1Q188 C189 A190 A217 I218Q188-D215 PolarHBondContact N-OD1 2.9Å; C189-D215 WeakPolarHBondContact CA-OD1 3.35Å; C189-D215 WeakPolarHBondContact CA-OD2 3.38Å; C189-D215 PolarHBondContact N-OD1 3.16Å; C189-D215 PolarHBondContact N-OD2 3.06Å; A190-D215 PolarHBondContact N-OD2 2.92Å; D215-A217 PolarHBondContact O-N 3.25Å; D215-I218 HydrophobicContact CB-CD1 4.15Å; D215-I218 WeakPolarHBondContact O-CB 3.29Å; D215-I218 VanDerWaalsContact O-CD1 3.31Å; D215-I218 WeakPolarHBondContact O-CD1 3.43Å; D215-I218 WeakPolarHBondContact O-CG1 3.46Å; D215-I218 PolarHBondContact O-N 3.15Å
216S95.5Very high95.7Very high112 Ų11264.9 Ų64.978%0.78335%0.349SS*.G310 helixtrans-66.1-20.7174.157.20000114.2P214P214-S216 PolarHBondContact O-N 3.05Å
217A96.6Very high96.2Very high20 Ų2056.8 Ų56.817%0.16531%0.314CS..G310 helixtrans-94.45.4178.200000113.2I213 P214 D215 F219 S220 S221I213-A217 HydrophobicContact CB-CB 4.35Å; P214-A217 HydrophobicContact CG-CB 3.81Å; P214-A217 PolarHBondContact O-N 3.24Å; D215-A217 PolarHBondContact O-N 3.25Å; A217-F219 VanDerWaalsContact C-N 3.35Å; A217-F219 PolarHBondContact O-N 3.43Å; A217-S220 PolarHBondContact O-OG 3Å; A217-S220 VanDerWaalsContact O-OG 3.05Å; A217-S221 WeakPolarHBondContact O-CB 3.38Å; A217-S221 PolarHBondContact O-N 3.23Å; A217-S221 PolarHBondContact O-OG 3.13Å
218I97.2Very high96.5Very high8 Ų854.9 Ų54.94%0.04130%0.302CS..Hα-helixtrans-57.3-49.4177.1-72.4169.6000110.5M161 L163 A187 I213 D215 S220 S221 M222 L250M161-I218 HydrophobicContact SD-CG2 4.18Å; L163-I218 HydrophobicContact CD1-CD1 4.14Å; A187-I218 HydrophobicContact CB-CD1 3.78Å; A187-I218 HydrophobicContact CB-CG1 3.85Å; I213-I218 HydrophobicContact CD1-CG1 4.26Å; D215-I218 HydrophobicContact CB-CD1 4.15Å; D215-I218 WeakPolarHBondContact O-CB 3.29Å; D215-I218 VanDerWaalsContact O-CD1 3.31Å; D215-I218 WeakPolarHBondContact O-CD1 3.43Å; D215-I218 WeakPolarHBondContact O-CG1 3.46Å; D215-I218 PolarHBondContact O-N 3.15Å; I218-S220 PolarHBondContact O-N 2.96Å; I218-S221 PolarHBondContact O-N 3.18Å; I218-M222 HydrophobicContact CG2-CE 4.18Å; I218-M222 PolarHBondContact O-N 2.98Å; I218-L250 HydrophobicContact CG2-CB 4.38Å; I218-L250 HydrophobicContact CG2-CD1 3.51Å
219F97.1Very high96.7Very high102 Ų10254.3 Ų54.345%0.44730%0.299SS..Hα-helixtrans-64.3-44.3-175.9-171.3-94.2000112.4A217 M222 Y256 F257A217-F219 VanDerWaalsContact C-N 3.35Å; A217-F219 PolarHBondContact O-N 3.43Å; F219-M222 WeakPolarHBondContact O-CB 3.33Å; F219-M222 PolarHBondContact O-N 3.23Å; F219-Y256 HydrophobicContact CE2-CD1 4.01Å; F219-Y256 HydrophobicContact CE2-CG 4.23Å; F219-Y256 AromaticContact CZ-CD1 3.82Å; F219-Y256 HydrophobicContact CZ-CD1 3.82Å; F219-Y256 AromaticContact CZ-CE1 3.92Å; F219-Y256 HydrophobicContact CZ-CE1 3.92Å; F219-Y256 HydrophobicContact CZ-CG 4.36Å; F219-F257 HydrophobicContact CD1-CE2 4.33Å; F219-F257 HydrophobicContact CD2-CE2 4.15Å; F219-F257 HydrophobicContact CE1-CE2 4.06Å; F219-F257 HydrophobicContact CE1-CZ 4.19Å; F219-F257 AromaticContact CE2-CE2 3.86Å; F219-F257 HydrophobicContact CE2-CE2 3.86Å; F219-F257 HydrophobicContact CG-CE2 4.38Å; F219-F257 AromaticContact CZ-CE2 3.8Å; F219-F257 HydrophobicContact CZ-CE2 3.8Å; F219-F257 HydrophobicContact CZ-CZ 4.22Å; F219-F257 WeakPolarHBondContact O-CE2 3.4Å
220S96.2Very high96.8Very high75 Ų7545.9 Ų45.952%0.52427%0.268SS..Hα-helixtrans-67.8-39.4178.856.20000112.1A217 I218 M222 S223A217-S220 PolarHBondContact O-OG 3Å; A217-S220 VanDerWaalsContact O-OG 3.05Å; I218-S220 PolarHBondContact O-N 2.96Å; S220-M222 PolarHBondContact O-N 3.17Å; S220-S223 PolarHBondContact O-OG 3.41Å
221S96Very high96.8Very high15 Ų1544.4 Ų44.411%0.10526%0.262CS..Hα-helixtrans-74.5-13.6179-55.70000113.1A217 I218 S223 Q224 T225A217-S221 WeakPolarHBondContact O-CB 3.38Å; A217-S221 PolarHBondContact O-N 3.23Å; A217-S221 PolarHBondContact O-OG 3.13Å; I218-S221 PolarHBondContact O-N 3.18Å; S221-S223 PolarHBondContact O-N 3.42Å; S221-Q224 WeakPolarHBondContact O-CG 3.31Å; S221-Q224 PolarHBondContact O-N 3.46Å; S221-T225 PolarHBondContact O-OG1 3.38Å
222M96.6Very high96.7Very high1 Ų140.1 Ų40.11%0.00524%0.242CC..G310 helixtrans-65.9-28.1179.7-165.962.170.200112.3M161 I218 F219 S220 Q224 T225 V228 L250 A254 F257 V259M161-M222 HydrophobicContact SD-CE 3.56Å; M161-M222 VanDerWaalsContact SD-CE 3.56Å; M161-M222 HydrophobicContact SD-SD 4.17Å; I218-M222 HydrophobicContact CG2-CE 4.18Å; I218-M222 PolarHBondContact O-N 2.98Å; F219-M222 WeakPolarHBondContact O-CB 3.33Å; F219-M222 PolarHBondContact O-N 3.23Å; S220-M222 PolarHBondContact O-N 3.17Å; M222-Q224 PolarHBondContact O-N 3.44Å; M222-T225 WeakPolarHBondContact O-CB 3.35Å; M222-T225 PolarHBondContact O-N 2.94Å; M222-T225 HydrophobicContact SD-CG2 4.08Å; M222-V228 HydrophobicContact CE-CG2 4.02Å; M222-V228 HydrophobicContact SD-CG2 3.96Å; M222-L250 HydrophobicContact CE-CD1 3.69Å; M222-A254 HydrophobicContact CE-CB 4Å; M222-A254 HydrophobicContact SD-CB 4.15Å; M222-F257 HydrophobicContact CB-CD2 3.53Å; M222-F257 HydrophobicContact CB-CE2 3.84Å; M222-F257 HydrophobicContact CB-CG 4.16Å; M222-F257 HydrophobicContact CG-CB 3.81Å; M222-F257 HydrophobicContact CG-CD2 3.44Å; M222-F257 VanDerWaalsContact CG-CD2 3.44Å; M222-F257 HydrophobicContact CG-CE2 4.27Å; M222-F257 HydrophobicContact CG-CG 3.84Å; M222-V259 HydrophobicContact CG-CG2 4.18Å; M222-V259 HydrophobicContact SD-CB 4.17Å; M222-V259 HydrophobicContact SD-CG1 4.27Å; M222-V259 HydrophobicContact SD-CG2 4.05Å
223S95.4Very high96.5Very high88 Ų8838.5 Ų38.562%0.61523%0.232SC*.G310 helixtrans-59.5-25.9178.761.10000114.7S220 S221S220-S223 PolarHBondContact O-OG 3.41Å; S221-S223 PolarHBondContact O-N 3.42Å
224Q95.4Very high96.4Very high114 Ų11437.6 Ų37.653%0.53323%0.228SC..G310 helixtrans-102-3.3177.258.4177.41800113T159 I185 S221 M222T159-Q224 VanDerWaalsContact CB-O 3.23Å; T159-Q224 WeakPolarHBondContact CB-O 3.35Å; T159-Q224 WeakPolarHBondContact CG2-O 3.21Å; I185-Q224 HydrophobicContact CD1-CG 3.98Å; I185-Q224 VanDerWaalsContact CD1-NE2 3.26Å; S221-Q224 WeakPolarHBondContact O-CG 3.31Å; S221-Q224 PolarHBondContact O-N 3.46Å; M222-Q224 PolarHBondContact O-N 3.44Å
225T97.9Very high96.2Very high10 Ų1034.8 Ų34.86%0.06121%0.209CC..  trans-84129-178.9-61.70000110.2M161 S221 M222 K227 V228 V259M161-T225 HydrophobicContact CB-CG2 3.46Å; M161-T225 VanDerWaalsContact CB-CG2 3.46Å; M161-T225 VanDerWaalsContact CE-OG1 3.25Å; M161-T225 WeakPolarHBondContact CE-OG1 3.45Å; S221-T225 PolarHBondContact O-OG1 3.38Å; M222-T225 WeakPolarHBondContact O-CB 3.35Å; M222-T225 PolarHBondContact O-N 2.94Å; M222-T225 HydrophobicContact SD-CG2 4.08Å; T225-K227 WeakPolarHBondContact CG2-O 3.46Å; T225-V228 HydrophobicContact CG2-CG2 4.24Å; T225-V259 HydrophobicContact CG2-CG1 3.96Å; T225-V259 WeakPolarHBondContact O-CG2 3.23Å
226S97.3Very high96.1Very high41 Ų4132.5 Ų32.529%0.28720%0.197SC..SBendtrans-87.4-35175.666.10000113.1T159 P260T159-S226 PolarHBondContact N-OG 2.89Å; T159-S226 PolarHBondContact O-N 3.44Å; T159-S226 PolarHBondContact O-OG 3Å; S226-P260 WeakPolarHBondContact O-CD 3.3Å
227K97.7Very high95.8Very high42 Ų4227.1 Ų27.118%0.18316%0.16CC..EExtended strand (participates in β ladder)trans-150.5145-177-56.4-175-178.268.70109.6H153 D158 T159 V160 M161 T225 P260 I262H153-K227 WeakPolarHBondContact O-CE 3.43Å; D158-K227 IonicContact OD1-NZ 3.83Å; D158-K227 PolarHBondContact OD1-NZ 2.92Å; D158-K227 IonicContact OD2-NZ 2.64Å; D158-K227 PolarHBondContact OD2-NZ 3.21Å; T159-K227 PolarHBondContact O-N 3.06Å; V160-K227 CarbonylContact C-O 3.59Å; V160-K227 WeakPolarHBondContact CA-O 3.4Å; M161-K227 PolarHBondContact N-O 3.31Å; T225-K227 WeakPolarHBondContact CG2-O 3.46Å; K227-P260 HydrophobicContact CB-CG 4.42Å; K227-P260 HydrophobicContact CG-CG 4.04Å; K227-I262 HydrophobicContact CD-CD1 4.25Å
228V98.4Very high95.4Very high0 Ų029.6 Ų29.60%017%0.17CC..EExtended strand (participates in β ladder)trans-101.5129168.71730000108.2M161 M222 T225 I230 L250 A254 V259 P260 V261 I262M161-V228 HydrophobicContact CB-CG2 4.32Å; M161-V228 CarbonylContact O-C 3.51Å; M161-V228 WeakPolarHBondContact O-CA 3.45Å; M222-V228 HydrophobicContact CE-CG2 4.02Å; M222-V228 HydrophobicContact SD-CG2 3.96Å; T225-V228 HydrophobicContact CG2-CG2 4.24Å; V228-I230 HydrophobicContact CG1-CG2 3.85Å; V228-L250 HydrophobicContact CG1-CD2 3.76Å; V228-L250 HydrophobicContact CG1-CG 4.1Å; V228-A254 HydrophobicContact CG2-CB 3.85Å; V228-V259 HydrophobicContact CG2-CG1 3.94Å; V228-P260 PolarHBondContact N-O 3.13Å; V228-V261 HydrophobicContact CB-CG2 4.15Å; V228-V261 HydrophobicContact CG1-CG1 4.21Å; V228-V261 HydrophobicContact CG1-CG2 4.42Å; V228-I262 PolarHBondContact O-N 2.98Å
229I98.2Very high95.1Very high0 Ų029.2 Ų29.20%017%0.168CC..EExtended strand (participates in β ladder)trans-123.6120174.3-59.7-177.5000107.8I154 V160 M161 T162 V169 F172 I262I154-I229 HydrophobicContact CD1-CD1 3.67Å; I154-I229 HydrophobicContact CG1-CD1 3.73Å; V160-I229 HydrophobicContact CG1-CB 3.85Å; V160-I229 HydrophobicContact CG1-CD1 3.74Å; V160-I229 HydrophobicContact CG1-CG1 3.71Å; V160-I229 HydrophobicContact CG2-CD1 4.28Å; M161-I229 PolarHBondContact O-N 3.01Å; T162-I229 WeakPolarHBondContact CA-O 3.43Å; T162-I229 WeakPolarHBondContact CB-O 3.31Å; T162-I229 PolarHBondContact OG1-O 3.39Å; T162-I229 VanDerWaalsContact OG1-O 3.11Å; V169-I229 HydrophobicContact CG1-CG2 4.29Å; F172-I229 HydrophobicContact CD1-CD1 4.33Å; F172-I229 HydrophobicContact CD1-CG2 4.34Å; F172-I229 HydrophobicContact CE1-CD1 3.84Å; F172-I229 HydrophobicContact CE1-CG2 4.49Å; I229-I262 VanDerWaalsContact CA-O 3.3Å; I229-I262 WeakPolarHBondContact CA-O 3.16Å; I229-I262 HydrophobicContact CG1-CB 4.29Å
230I97.6Very high95Very high2 Ų224.4 Ų24.41%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-132.5154.1-177.353.4169.8000112V228 L241 T247 L250 V261 I262 V263 C264V228-I230 HydrophobicContact CG1-CG2 3.85Å; I230-L241 HydrophobicContact CD1-CD1 4.39Å; I230-T247 HydrophobicContact CD1-CG2 3.49Å; I230-T247 VanDerWaalsContact CD1-CG2 3.49Å; I230-L250 HydrophobicContact CG2-CD2 3.51Å; I230-V261 HydrophobicContact CD1-CG1 3.99Å; I230-V261 HydrophobicContact CG1-CG1 4.24Å; I230-I262 PolarHBondContact N-O 2.99Å; I230-V263 HydrophobicContact CD1-CG2 4Å; I230-V263 HydrophobicContact CG1-CB 4.5Å; I230-V263 HydrophobicContact CG1-CG2 3.84Å; I230-V263 CarbonylContact O-C 3.5Å; I230-V263 WeakPolarHBondContact O-CA 3.37Å; I230-C264 PolarHBondContact O-N 3.47Å
231G95.8Very high94.9Very high16 Ų1620.9 Ų20.917%0.16512%0.123CC..EExtended strand (participates in β ladder)trans-89.3163.7162.900000110.3
232T95Very high94.8Very high7 Ų720.5 Ų20.54%0.04312%0.119CC..  trans-126.5162.1170.5-171.70000110.7E234 V235 L241 R242 V263 S265 K269T232-E234 PolarHBondContact OG1-N 3.47Å; T232-E234 PolarHBondContact OG1-O 2.86Å; T232-V235 HydrophobicContact CG2-CG2 3.68Å; T232-L241 HydrophobicContact CG2-CD2 4.3Å; T232-R242 PolarHBondContact OG1-O 3.32Å; T232-V263 HydrophobicContact CG2-CG1 4.08Å; T232-S265 VanDerWaalsContact CG2-OG 3.28Å; T232-S265 WeakPolarHBondContact CG2-OG 3.29Å; T232-K269 WeakPolarHBondContact O-CD 3.28Å; T232-K269 WeakPolarHBondContact O-CE 3.27Å; T232-K269 PolarHBondContact O-NZ 2.66Å
233V93.9Very high94.7Very high28 Ų2820.5 Ų20.517%0.1712%0.119CC..SBendtrans-79.2-51.5168.3-1760000108.5R242 K269 F311V233-R242 WeakPolarHBondContact CA-O 3.05Å; V233-R242 WeakPolarHBondContact CB-O 3.25Å; V233-R242 PolarHBondContact N-O 2.91Å; V233-K269 WeakPolarHBondContact O-CD 3.33Å; V233-K269 WeakPolarHBondContact O-CG 3.4Å; V233-F311 HydrophobicContact CB-CE1 4.48Å; V233-F311 HydrophobicContact CG1-CE1 4.4Å; V233-F311 HydrophobicContact CG2-CD1 3.9Å; V233-F311 HydrophobicContact CG2-CE1 3.63Å
234E93.4Very high94.7Very high1 Ų118 Ų181%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-143155.5179.3-75.3158.9-174.600111.5L74 T232 L241 R242 K269L74-E234 VanDerWaalsContact CB-OE1 3.27Å; L74-E234 WeakPolarHBondContact CB-OE1 3.15Å; L74-E234 VanDerWaalsContact CD1-OE2 3.23Å; L74-E234 WeakPolarHBondContact CD1-OE2 3.44Å; L74-E234 PolarHBondContact N-OE1 3.13Å; T232-E234 PolarHBondContact OG1-N 3.47Å; T232-E234 PolarHBondContact OG1-O 2.86Å; E234-L241 WeakPolarHBondContact O-CA 3.48Å; E234-R242 HydrophobicContact CB-CB 4.28Å; E234-R242 PolarHBondContact N-O 3.47Å; E234-R242 VanDerWaalsContact N-O 3.08Å; E234-R242 PolarHBondContact O-N 2.95Å; E234-R242 IonicContact OE1-CZ 2.74Å; E234-R242 IonicContact OE1-NH2 2.7Å; E234-R242 PolarHBondContact OE1-NH2 2.95Å; E234-R242 IonicContact OE2-CZ 2.66Å; E234-R242 IonicContact OE2-NE 2.93Å; E234-R242 PolarHBondContact OE2-NE 3.36Å; E234-R242 IonicContact OE2-NH2 3.67Å; E234-R242 PolarHBondContact OE2-NH2 3.33Å; E234-K269 CarbonylContact C-O 3.58Å; E234-K269 WeakPolarHBondContact CA-O 3.43Å
235V94.3Very high94.5Very high0 Ų014 Ų140%09%0.086CC..EExtended strand (participates in β ladder)trans-117.3119.9171.6-175.80000107.6T232 S240 L241 S265 K269 L270 T271 L322 I334T232-V235 HydrophobicContact CG2-CG2 3.68Å; V235-S240 CarbonylContact C-O 3.57Å; V235-S240 WeakPolarHBondContact CA-O 3.43Å; V235-L241 HydrophobicContact CB-CD2 4.28Å; V235-L241 HydrophobicContact CG1-CD2 4.15Å; V235-L241 HydrophobicContact CG2-CD2 3.8Å; V235-S265 WeakPolarHBondContact CG2-OG 3.39Å; V235-K269 PolarHBondContact N-O 3.4Å; V235-L270 HydrophobicContact CB-CD2 3.62Å; V235-L270 HydrophobicContact CG1-CD2 3.92Å; V235-L270 HydrophobicContact CG2-CD2 3.9Å; V235-L270 CarbonylContact O-C 3.6Å; V235-T271 WeakPolarHBondContact O-CG2 3.42Å; V235-T271 PolarHBondContact O-N 2.89Å; V235-L322 HydrophobicContact CG1-CD1 4.1Å; V235-L322 HydrophobicContact CG1-CD2 4.42Å; V235-L322 HydrophobicContact CG2-CD2 4.08Å; V235-I334 HydrophobicContact CG1-CD1 4.43Å; V235-I334 HydrophobicContact CG1-CG1 4.35Å; V235-I334 HydrophobicContact CG1-CG2 4.07Å
236L92.4Very high94.3Very high0 Ų014.7 Ų14.70%010%0.095CC..  trans-80.6172.2-175.5-52.9-167.2000112.9D238 G239 S240 T271 L275 L313L236-D238 WeakPolarHBondContact CB-OD1 3.32Å; L236-D238 PolarHBondContact O-N 3.41Å; L236-G239 PolarHBondContact O-N 3.15Å; L236-S240 WeakPolarHBondContact CB-OG 3.43Å; L236-S240 VanDerWaalsContact CD1-OG 3.31Å; L236-S240 WeakPolarHBondContact CD1-OG 3.12Å; L236-S240 PolarHBondContact N-O 2.97Å; L236-T271 CarbonylContact C-O 3.6Å; L236-T271 HydrophobicContact CB-CG2 4.45Å; L236-T271 HydrophobicContact CD2-CG2 3.35Å; L236-T271 HydrophobicContact CG-CG2 4.46Å; L236-L275 HydrophobicContact CD1-CB 3.57Å; L236-L275 HydrophobicContact CD1-CD1 3.73Å; L236-L275 HydrophobicContact CD1-CG 3.69Å; L236-L275 HydrophobicContact CD2-CD1 3.89Å; L236-L275 HydrophobicContact CD2-CG 4.3Å; L236-L313 HydrophobicContact CD1-CD1 3.51Å; L236-L313 HydrophobicContact CG-CD1 4.43Å
237G88.4Confident94.3Very high0 Ų012.9 Ų12.90%08%0.083CC..THydrogen-bonded Turntrans-53-35.2-178.300000115.8G239 T271 M273 I338G237-G239 VanDerWaalsContact C-N 3.33Å; G237-T271 PolarHBondContact N-O 3.23Å; G237-M273 PolarHBondContact N-O 2.88Å; G237-I338 VanDerWaalsContact CA-CD1 3.47Å
238D88.6Confident94.2Very high71 Ų7113.6 Ų13.638%0.389%0.085SC..THydrogen-bonded Turntrans-903-17967.9-27.6000113.2L236 S240 F274 S316L236-D238 WeakPolarHBondContact CB-OD1 3.32Å; L236-D238 PolarHBondContact O-N 3.41Å; D238-S240 VanDerWaalsContact C-N 3.3Å; D238-S240 VanDerWaalsContact OD1-CB 3.27Å; D238-S240 WeakPolarHBondContact OD1-CB 3.08Å; D238-S240 PolarHBondContact OD1-N 2.97Å; D238-S240 PolarHBondContact OD1-OG 3.05Å; D238-S240 WeakPolarHBondContact OD2-CB 3.38Å; D238-S240 PolarHBondContact OD2-OG 3.08Å; D238-F274 HydrophobicContact CB-CD1 3.99Å; D238-F274 HydrophobicContact CB-CE1 3.96Å; D238-F274 VanDerWaalsContact N-CE1 3.34Å; D238-S316 WeakPolarHBondContact O-CB 3.27Å; D238-S316 PolarHBondContact O-OG 3.25Å
239G91.7Very high94Very high0 Ų016.9 Ų16.90%011%0.108CC..SBendtrans81.14-175.100000114.4L236 G237 I319L236-G239 PolarHBondContact O-N 3.15Å; G237-G239 VanDerWaalsContact C-N 3.33Å; G239-I319 WeakPolarHBondContact O-CD1 3.36Å
240S94Very high94Very high2 Ų216.9 Ų16.91%0.01411%0.108CC..  trans-69.8164.8170.367.10000110.9V235 L236 D238 V314V235-S240 CarbonylContact C-O 3.57Å; V235-S240 WeakPolarHBondContact CA-O 3.43Å; L236-S240 WeakPolarHBondContact CB-OG 3.43Å; L236-S240 VanDerWaalsContact CD1-OG 3.31Å; L236-S240 WeakPolarHBondContact CD1-OG 3.12Å; L236-S240 PolarHBondContact N-O 2.97Å; D238-S240 VanDerWaalsContact C-N 3.3Å; D238-S240 VanDerWaalsContact OD1-CB 3.27Å; D238-S240 WeakPolarHBondContact OD1-CB 3.08Å; D238-S240 PolarHBondContact OD1-N 2.97Å; D238-S240 PolarHBondContact OD1-OG 3.05Å; D238-S240 WeakPolarHBondContact OD2-CB 3.38Å; D238-S240 PolarHBondContact OD2-OG 3.08Å; S240-V314 CarbonylContact C-O 3.55Å; S240-V314 VanDerWaalsContact CA-O 3.27Å; S240-V314 WeakPolarHBondContact CA-O 3.21Å; S240-V314 WeakPolarHBondContact CB-O 3.41Å
241L94.8Very high94Very high0 Ų016.8 Ų16.80%011%0.107CC..EExtended strand (participates in β ladder)trans-119.4136-176.2-49171.9000110.7I230 T232 E234 V235 A243 V263 L313 V314 I319 L322I230-L241 HydrophobicContact CD1-CD1 4.39Å; T232-L241 HydrophobicContact CG2-CD2 4.3Å; E234-L241 WeakPolarHBondContact O-CA 3.48Å; V235-L241 HydrophobicContact CB-CD2 4.28Å; V235-L241 HydrophobicContact CG1-CD2 4.15Å; V235-L241 HydrophobicContact CG2-CD2 3.8Å; L241-A243 HydrophobicContact CB-CB 4.44Å; L241-V263 HydrophobicContact CD1-CB 4.44Å; L241-V263 HydrophobicContact CD1-CG1 4Å; L241-V263 HydrophobicContact CD1-CG2 3.61Å; L241-V263 HydrophobicContact CD2-CG1 4.09Å; L241-L313 CarbonylContact O-C 3.21Å; L241-L313 WeakPolarHBondContact O-CA 3.05Å; L241-V314 HydrophobicContact CB-CB 4.1Å; L241-V314 HydrophobicContact CD1-CB 4.42Å; L241-V314 PolarHBondContact N-O 3.38Å; L241-V314 PolarHBondContact O-N 3.47Å; L241-I319 HydrophobicContact CD1-CD1 3.6Å; L241-I319 HydrophobicContact CD1-CG1 4Å; L241-I319 HydrophobicContact CD2-CD1 3.9Å; L241-I319 HydrophobicContact CG-CD1 3.43Å; L241-I319 VanDerWaalsContact CG-CD1 3.43Å; L241-I319 HydrophobicContact CG-CG1 4.35Å; L241-L322 HydrophobicContact CD2-CD2 4Å
242R94.3Very high94.1Very high8 Ų819.8 Ų19.83%0.0312%0.119CC..EExtended strand (participates in β ladder)trans-92.2107.5155.8-167.8171.472.2107.7-6.9107.5K72 T232 V233 E234 F283 F311 D312K72-R242 PolarHBondContact O-NH2 3.49Å; T232-R242 PolarHBondContact OG1-O 3.32Å; V233-R242 WeakPolarHBondContact CA-O 3.05Å; V233-R242 WeakPolarHBondContact CB-O 3.25Å; V233-R242 PolarHBondContact N-O 2.91Å; E234-R242 HydrophobicContact CB-CB 4.28Å; E234-R242 PolarHBondContact N-O 3.47Å; E234-R242 VanDerWaalsContact N-O 3.08Å; E234-R242 PolarHBondContact O-N 2.95Å; E234-R242 IonicContact OE1-CZ 2.74Å; E234-R242 IonicContact OE1-NH2 2.7Å; E234-R242 PolarHBondContact OE1-NH2 2.95Å; E234-R242 IonicContact OE2-CZ 2.66Å; E234-R242 IonicContact OE2-NE 2.93Å; E234-R242 PolarHBondContact OE2-NE 3.36Å; E234-R242 IonicContact OE2-NH2 3.67Å; E234-R242 PolarHBondContact OE2-NH2 3.33Å; R242-F283 WeakPolarHBondContact CD-O 3.43Å; R242-F311 HydrophobicContact CG-CB 4.02Å; R242-F311 HydrophobicContact CG-CG 4.29Å; R242-D312 WeakPolarHBondContact CA-O 3.43Å
243A94.6Very high94.2Very high0 Ų020 Ų200%012%0.121CC..EExtended strand (participates in β ladder)trans-125.1170.6-174.600000111.1L241 T247 F311 D312 V314L241-A243 HydrophobicContact CB-CB 4.44Å; A243-T247 HydrophobicContact CB-CG2 3.69Å; A243-F311 CarbonylContact O-C 3.5Å; A243-F311 WeakPolarHBondContact O-CA 3.28Å; A243-F311 WeakPolarHBondContact O-CB 3.36Å; A243-D312 PolarHBondContact N-O 3.44Å; A243-D312 PolarHBondContact O-N 3.22Å; A243-V314 HydrophobicContact CB-CG2 4.4Å
244V94.5Very high94.5Very high36 Ų3618.7 Ų18.722%0.21811%0.113CC..EExtended strand (participates in β ladder)trans-60.8143.8177.61790000109.9C189 G246 T247C189-V244 VanDerWaalsContact SG-CG1 3.57Å; V244-G246 PolarHBondContact O-N 3.21Å; V244-T247 VanDerWaalsContact O-CB 3.25Å; V244-T247 WeakPolarHBondContact O-CB 3.39Å; V244-T247 PolarHBondContact O-N 3.13Å; V244-T247 PolarHBondContact O-OG1 3.39Å
245A92.4Very high94.7Very high29 Ų2923.7 Ų23.724%0.2414%0.136CC..THydrogen-bonded Turntrans-49.3136.5176.400000112P309 A310A245-P309 WeakPolarHBondContact CB-O 3.47Å; A245-A310 PolarHBondContact N-O 2.86Å
246G93.2Very high94.8Very high25 Ų2531.6 Ų31.626%0.25817%0.167SC..THydrogen-bonded Turntrans94.6-15.9-173.300000114.2V244 Y248 S249 L250 D312V244-G246 PolarHBondContact O-N 3.21Å; G246-Y248 VanDerWaalsContact C-N 3.29Å; G246-Y248 PolarHBondContact O-N 3.02Å; G246-S249 PolarHBondContact O-N 2.96Å; G246-L250 PolarHBondContact O-N 3.14Å; G246-L250 VanDerWaalsContact O-N 3.13Å; G246-D312 WeakPolarHBondContact CA-OD2 3.47Å; G246-D312 PolarHBondContact N-OD2 3.05Å
247T96.3Very high95.1Very high4 Ų435.1 Ų35.13%0.02518%0.182CC..Hα-helixtrans-64.6-34.4176.7-53.40000111.5I230 A243 V244 L250 C251 D312 V314I230-T247 HydrophobicContact CD1-CG2 3.49Å; I230-T247 VanDerWaalsContact CD1-CG2 3.49Å; A243-T247 HydrophobicContact CB-CG2 3.69Å; V244-T247 VanDerWaalsContact O-CB 3.25Å; V244-T247 WeakPolarHBondContact O-CB 3.39Å; V244-T247 PolarHBondContact O-N 3.13Å; V244-T247 PolarHBondContact O-OG1 3.39Å; T247-L250 WeakPolarHBondContact O-CB 3.48Å; T247-L250 PolarHBondContact O-N 3.33Å; T247-C251 WeakPolarHBondContact O-CB 3.19Å; T247-C251 PolarHBondContact O-N 3.44Å; T247-C251 PolarHBondContact O-SG 3.15Å; T247-D312 PolarHBondContact N-OD2 3.24Å; T247-V314 HydrophobicContact CG2-CG2 4Å
248Y95.8Very high95.5Very high56 Ų5646.1 Ų46.122%0.2222%0.224CC..Hα-helixtrans-61.1-48.7176.4-160.2125.6000110.8G246 L250 C251 L252 D312 L313 P315 L318G246-Y248 VanDerWaalsContact C-N 3.29Å; G246-Y248 PolarHBondContact O-N 3.02Å; Y248-L250 VanDerWaalsContact C-N 3.29Å; Y248-L250 PolarHBondContact O-N 2.99Å; Y248-C251 PolarHBondContact O-N 3.49Å; Y248-C251 VanDerWaalsContact O-N 3.11Å; Y248-L252 HydrophobicContact CD2-CD1 3.5Å; Y248-L252 HydrophobicContact CD2-CD2 4.48Å; Y248-L252 HydrophobicContact CD2-CG 3.59Å; Y248-L252 HydrophobicContact CE2-CD1 3.47Å; Y248-L252 VanDerWaalsContact CE2-CD1 3.47Å; Y248-L252 HydrophobicContact CE2-CD2 3.9Å; Y248-L252 HydrophobicContact CE2-CG 3.49Å; Y248-L252 VanDerWaalsContact CE2-CG 3.49Å; Y248-L252 PolarHBondContact O-N 2.66Å; Y248-D312 WeakPolarHBondContact CB-OD2 3.49Å; Y248-D312 PolarHBondContact N-OD2 3.21Å; Y248-L313 WeakPolarHBondContact CD1-O 3.46Å; Y248-L313 WeakPolarHBondContact CE1-O 3.37Å; Y248-P315 HydrophobicContact CE1-CG 4.28Å; Y248-L318 HydrophobicContact CD2-CD1 4.44Å; Y248-L318 HydrophobicContact CE2-CD1 4.06Å
249S96Very high96Very high70 Ų7043.4 Ų43.449%0.4921%0.21SC..Hα-helixtrans-59.9-38.6179-60.90000112.5G246 S253G246-S249 PolarHBondContact O-N 2.96Å; S249-S253 WeakPolarHBondContact O-CB 3.15Å; S249-S253 PolarHBondContact O-N 3.02Å; S249-S253 PolarHBondContact O-OG 3.47Å
250L97.6Very high96.2Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-61.5-48.9172.8176.971.7000111.5M161 L163 I218 M222 V228 I230 G246 T247 Y248 S253 A254M161-L250 HydrophobicContact CG-CD1 4.02Å; M161-L250 HydrophobicContact SD-CD1 3.52Å; M161-L250 VanDerWaalsContact SD-CD1 3.52Å; L163-L250 HydrophobicContact CB-CD2 3.85Å; L163-L250 HydrophobicContact CD1-CB 4.34Å; L163-L250 HydrophobicContact CD1-CD2 4.37Å; I218-L250 HydrophobicContact CG2-CB 4.38Å; I218-L250 HydrophobicContact CG2-CD1 3.51Å; M222-L250 HydrophobicContact CE-CD1 3.69Å; V228-L250 HydrophobicContact CG1-CD2 3.76Å; V228-L250 HydrophobicContact CG1-CG 4.1Å; I230-L250 HydrophobicContact CG2-CD2 3.51Å; G246-L250 PolarHBondContact O-N 3.14Å; G246-L250 VanDerWaalsContact O-N 3.13Å; T247-L250 WeakPolarHBondContact O-CB 3.48Å; T247-L250 PolarHBondContact O-N 3.33Å; Y248-L250 VanDerWaalsContact C-N 3.29Å; Y248-L250 PolarHBondContact O-N 2.99Å; L250-S253 WeakPolarHBondContact O-CB 3.4Å; L250-S253 PolarHBondContact O-N 3.39Å; L250-A254 WeakPolarHBondContact O-CB 3.44Å; L250-A254 PolarHBondContact O-N 2.87Å
251C97.9Very high96.5Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-64.9-39.7-179.5-70.50000112.4T247 Y248 A254 H255 V314 L318T247-C251 WeakPolarHBondContact O-CB 3.19Å; T247-C251 PolarHBondContact O-N 3.44Å; T247-C251 PolarHBondContact O-SG 3.15Å; Y248-C251 PolarHBondContact O-N 3.49Å; Y248-C251 VanDerWaalsContact O-N 3.11Å; C251-A254 PolarHBondContact O-N 3.02Å; C251-H255 WeakPolarHBondContact O-CB 3.2Å; C251-H255 PolarHBondContact O-N 2.99Å; C251-V314 HydrophobicContact CB-CG1 3.9Å; C251-L318 HydrophobicContact CB-CB 3.99Å; C251-L318 HydrophobicContact CB-CD1 3.89Å
252L97.4Very high96.6Very high78 Ų7845.8 Ų45.841%0.40823%0.225SC..Hα-helixtrans-61.8-44.2172.4-80.8176.4000112.1Y248 A254 H255 Y256 L318Y248-L252 HydrophobicContact CD2-CD1 3.5Å; Y248-L252 HydrophobicContact CD2-CD2 4.48Å; Y248-L252 HydrophobicContact CD2-CG 3.59Å; Y248-L252 HydrophobicContact CE2-CD1 3.47Å; Y248-L252 VanDerWaalsContact CE2-CD1 3.47Å; Y248-L252 HydrophobicContact CE2-CD2 3.9Å; Y248-L252 HydrophobicContact CE2-CG 3.49Å; Y248-L252 VanDerWaalsContact CE2-CG 3.49Å; Y248-L252 PolarHBondContact O-N 2.66Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-H255 PolarHBondContact O-N 3.44Å; L252-Y256 PolarHBondContact O-N 2.98Å; L252-L318 HydrophobicContact CD2-CD1 4.18Å; L252-L318 HydrophobicContact CD2-CD2 4.25Å; L252-L318 HydrophobicContact CG-CD1 4.31Å
253S97.7Very high96.8Very high12 Ų1245.4 Ų45.48%0.08422%0.223CC..Hα-helixtrans-61.3-46176.7-57.50000110.2S249 L250 H255 Y256 F257S249-S253 WeakPolarHBondContact O-CB 3.15Å; S249-S253 PolarHBondContact O-N 3.02Å; S249-S253 PolarHBondContact O-OG 3.47Å; L250-S253 WeakPolarHBondContact O-CB 3.4Å; L250-S253 PolarHBondContact O-N 3.39Å; S253-H255 VanDerWaalsContact C-N 3.33Å; S253-H255 PolarHBondContact O-N 3.48Å; S253-Y256 PolarHBondContact O-N 3.3Å; S253-F257 VanDerWaalsContact O-CD2 3.32Å; S253-F257 WeakPolarHBondContact O-CD2 3.43Å; S253-F257 PolarHBondContact O-N 3.43Å; S253-F257 VanDerWaalsContact O-N 3.14Å
254A98.1Very high96.9Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-60.5-43.8177.700000111.5M222 V228 L250 C251 L252 Y256 F257 R258 V259 V261M222-A254 HydrophobicContact CE-CB 4Å; M222-A254 HydrophobicContact SD-CB 4.15Å; V228-A254 HydrophobicContact CG2-CB 3.85Å; L250-A254 WeakPolarHBondContact O-CB 3.44Å; L250-A254 PolarHBondContact O-N 2.87Å; C251-A254 PolarHBondContact O-N 3.02Å; L252-A254 VanDerWaalsContact C-N 3.33Å; A254-Y256 PolarHBondContact O-N 3.29Å; A254-F257 CarbonylContact O-C 3.53Å; A254-F257 PolarHBondContact O-N 3.08Å; A254-R258 PolarHBondContact O-N 2.88Å; A254-V259 HydrophobicContact CB-CB 4.2Å; A254-V259 PolarHBondContact O-N 2.67Å; A254-V261 HydrophobicContact CB-CG2 3.53Å
255H97.8Very high96.9Very high107 Ų10743.8 Ų43.850%0.49521%0.213SC..Hα-helixtrans-60.8-43.6176.8-174.281.8000112.4C251 L252 S253 F257 R258 L318C251-H255 WeakPolarHBondContact O-CB 3.2Å; C251-H255 PolarHBondContact O-N 2.99Å; L252-H255 PolarHBondContact O-N 3.44Å; S253-H255 VanDerWaalsContact C-N 3.33Å; S253-H255 PolarHBondContact O-N 3.48Å; H255-F257 VanDerWaalsContact C-N 3.35Å; H255-F257 PolarHBondContact O-N 3.15Å; H255-R258 PolarHBondContact O-N 3.37Å; H255-R258 VanDerWaalsContact O-N 3.11Å; H255-L318 HydrophobicContact CB-CD2 3.55Å
256Y97.6Very high97Very high166 Ų16642.4 Ų42.465%0.65120%0.202SC*.Hα-helixtrans-58.8-44.1176.3-178.3-91.8000112.3F219 L252 S253 A254 R258F219-Y256 HydrophobicContact CE2-CD1 4.01Å; F219-Y256 HydrophobicContact CE2-CG 4.23Å; F219-Y256 AromaticContact CZ-CD1 3.82Å; F219-Y256 HydrophobicContact CZ-CD1 3.82Å; F219-Y256 AromaticContact CZ-CE1 3.92Å; F219-Y256 HydrophobicContact CZ-CE1 3.92Å; F219-Y256 HydrophobicContact CZ-CG 4.36Å; L252-Y256 PolarHBondContact O-N 2.98Å; S253-Y256 PolarHBondContact O-N 3.3Å; A254-Y256 PolarHBondContact O-N 3.29Å; Y256-R258 VanDerWaalsContact C-N 3.3Å; Y256-R258 PolarHBondContact O-N 3.21Å
257F97.6Very high97Very high73 Ų7341.4 Ų41.432%0.3219%0.191SC..THydrogen-bonded Turntrans-84.61.9178.1-73.2-82.3000114F219 M222 S253 A254 H255 V259F219-F257 HydrophobicContact CD1-CE2 4.33Å; F219-F257 HydrophobicContact CD2-CE2 4.15Å; F219-F257 HydrophobicContact CE1-CE2 4.06Å; F219-F257 HydrophobicContact CE1-CZ 4.19Å; F219-F257 AromaticContact CE2-CE2 3.86Å; F219-F257 HydrophobicContact CE2-CE2 3.86Å; F219-F257 HydrophobicContact CG-CE2 4.38Å; F219-F257 AromaticContact CZ-CE2 3.8Å; F219-F257 HydrophobicContact CZ-CE2 3.8Å; F219-F257 HydrophobicContact CZ-CZ 4.22Å; F219-F257 WeakPolarHBondContact O-CE2 3.4Å; M222-F257 HydrophobicContact CB-CD2 3.53Å; M222-F257 HydrophobicContact CB-CE2 3.84Å; M222-F257 HydrophobicContact CB-CG 4.16Å; M222-F257 HydrophobicContact CG-CB 3.81Å; M222-F257 HydrophobicContact CG-CD2 3.44Å; M222-F257 VanDerWaalsContact CG-CD2 3.44Å; M222-F257 HydrophobicContact CG-CE2 4.27Å; M222-F257 HydrophobicContact CG-CG 3.84Å; S253-F257 VanDerWaalsContact O-CD2 3.32Å; S253-F257 WeakPolarHBondContact O-CD2 3.43Å; S253-F257 PolarHBondContact O-N 3.43Å; S253-F257 VanDerWaalsContact O-N 3.14Å; A254-F257 CarbonylContact O-C 3.53Å; A254-F257 PolarHBondContact O-N 3.08Å; H255-F257 VanDerWaalsContact C-N 3.35Å; H255-F257 PolarHBondContact O-N 3.15Å; F257-V259 HydrophobicContact CB-CG2 3.89Å; F257-V259 PolarHBondContact O-N 2.94Å
258R97.5Very high96.9Very high232 Ų23241.8 Ų41.888%0.87519%0.192SC*.THydrogen-bonded Turntrans5733.6-175.9-53.1178.2179.1174.3-1.1113.5A254 H255 Y256A254-R258 PolarHBondContact O-N 2.88Å; H255-R258 PolarHBondContact O-N 3.37Å; H255-R258 VanDerWaalsContact O-N 3.11Å; Y256-R258 VanDerWaalsContact C-N 3.3Å; Y256-R258 PolarHBondContact O-N 3.21Å
259V98.2Very high96.8Very high14 Ų1439.8 Ų39.89%0.08518%0.184CC..  trans-84.7128.1175178.10000108.6M222 T225 V228 A254 F257M222-V259 HydrophobicContact CG-CG2 4.18Å; M222-V259 HydrophobicContact SD-CB 4.17Å; M222-V259 HydrophobicContact SD-CG1 4.27Å; M222-V259 HydrophobicContact SD-CG2 4.05Å; T225-V259 HydrophobicContact CG2-CG1 3.96Å; T225-V259 WeakPolarHBondContact O-CG2 3.23Å; V228-V259 HydrophobicContact CG2-CG1 3.94Å; A254-V259 HydrophobicContact CB-CB 4.2Å; A254-V259 PolarHBondContact O-N 2.67Å; F257-V259 HydrophobicContact CB-CG2 3.89Å; F257-V259 PolarHBondContact O-N 2.94Å
260P97.8Very high96.7Very high42 Ų4236.6 Ų36.627%0.27316%0.162SC..  trans-67.6136179.528.4-35.5000111.2S226 K227 V228 T320S226-P260 WeakPolarHBondContact O-CD 3.3Å; K227-P260 HydrophobicContact CB-CG 4.42Å; K227-P260 HydrophobicContact CG-CG 4.04Å; V228-P260 PolarHBondContact N-O 3.13Å; P260-T320 WeakPolarHBondContact CA-OG1 3.35Å; P260-T320 HydrophobicContact CB-CG2 3.99Å
261V98.4Very high96.4Very high1 Ų136.6 Ų36.61%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-103.8114.4176.9-179.10000109.1V228 I230 A254 V263 L318 T320 L321V228-V261 HydrophobicContact CB-CG2 4.15Å; V228-V261 HydrophobicContact CG1-CG1 4.21Å; V228-V261 HydrophobicContact CG1-CG2 4.42Å; I230-V261 HydrophobicContact CD1-CG1 3.99Å; I230-V261 HydrophobicContact CG1-CG1 4.24Å; A254-V261 HydrophobicContact CB-CG2 3.53Å; V261-V263 HydrophobicContact CG1-CG2 4.26Å; V261-L318 WeakPolarHBondContact CG2-O 3.42Å; V261-T320 PolarHBondContact N-OG1 3.29Å; V261-T320 WeakPolarHBondContact O-CA 3.48Å; V261-T320 VanDerWaalsContact O-CB 3.31Å; V261-T320 WeakPolarHBondContact O-CB 3.46Å; V261-T320 PolarHBondContact O-N 2.64Å; V261-L321 PolarHBondContact O-N 2.92Å; V261-L321 VanDerWaalsContact O-N 3.16Å
262I97.9Very high95.9Very high9 Ų937.1 Ų37.15%0.04617%0.165CC..EExtended strand (participates in β ladder)trans-107.8129.3178.6-56168.6000108.4H153 K227 V228 I229 I230 L321 I323H153-I262 HydrophobicContact CB-CD1 4.44Å; K227-I262 HydrophobicContact CD-CD1 4.25Å; V228-I262 PolarHBondContact O-N 2.98Å; I229-I262 VanDerWaalsContact CA-O 3.3Å; I229-I262 WeakPolarHBondContact CA-O 3.16Å; I229-I262 HydrophobicContact CG1-CB 4.29Å; I230-I262 PolarHBondContact N-O 2.99Å; I262-L321 CarbonylContact C-O 3.57Å; I262-L321 WeakPolarHBondContact CA-O 3.38Å; I262-L321 HydrophobicContact CG1-CB 4.4Å; I262-L321 HydrophobicContact CG2-CB 4.49Å; I262-I323 HydrophobicContact CG2-CD1 3.42Å; I262-I323 VanDerWaalsContact CG2-CD1 3.42Å; I262-I323 HydrophobicContact CG2-CG1 3.77Å
263V97.9Very high95.3Very high0 Ų035.1 Ų35.10%015%0.154CC..EExtended strand (participates in β ladder)trans-116.4119.4-175.21790000108.7I230 T232 L241 V261 I319 L321 L322 I323I230-V263 HydrophobicContact CD1-CG2 4Å; I230-V263 HydrophobicContact CG1-CB 4.5Å; I230-V263 HydrophobicContact CG1-CG2 3.84Å; I230-V263 CarbonylContact O-C 3.5Å; I230-V263 WeakPolarHBondContact O-CA 3.37Å; T232-V263 HydrophobicContact CG2-CG1 4.08Å; L241-V263 HydrophobicContact CD1-CB 4.44Å; L241-V263 HydrophobicContact CD1-CG1 4Å; L241-V263 HydrophobicContact CD1-CG2 3.61Å; L241-V263 HydrophobicContact CD2-CG1 4.09Å; V261-V263 HydrophobicContact CG1-CG2 4.26Å; V263-I319 HydrophobicContact CG2-CG1 4.47Å; V263-I319 HydrophobicContact CG2-CG2 3.71Å; V263-L321 PolarHBondContact N-O 3.39Å; V263-L322 HydrophobicContact CB-CD2 3.47Å; V263-L322 VanDerWaalsContact CB-CD2 3.47Å; V263-L322 HydrophobicContact CB-CG 4.34Å; V263-L322 HydrophobicContact CG1-CD2 3.5Å; V263-L322 HydrophobicContact CG2-CD2 4.23Å; V263-L322 CarbonylContact O-C 3.58Å; V263-L322 WeakPolarHBondContact O-CA 3.45Å; V263-I323 PolarHBondContact O-N 2.65Å
264C96.7Very high94.5Very high0 Ų039.4 Ų39.40%017%0.171CC..EExtended strand (participates in β ladder)trans-89.5108.1175.4-60.30000109.1I146 T168 V169 I230I146-C264 HydrophobicContact CG2-CB 4.23Å; T168-C264 HydrophobicContact CG2-CB 3.9Å; V169-C264 HydrophobicContact CG2-CB 4.4Å; I230-C264 PolarHBondContact O-N 3.47Å
265S95Very high93.5Very high1 Ų140.7 Ų40.71%0.00718%0.178CC..  trans-139.1111.8-177.7-165.70000111.7T232 V235 K269 I323 T324T232-S265 VanDerWaalsContact CG2-OG 3.28Å; T232-S265 WeakPolarHBondContact CG2-OG 3.29Å; V235-S265 WeakPolarHBondContact CG2-OG 3.39Å; S265-K269 WeakPolarHBondContact OG-CB 3.45Å; S265-I323 PolarHBondContact N-O 3.3Å; S265-T324 WeakPolarHBondContact O-CA 3.46Å
266P94.7Very high92.4Very high1 Ų138.7 Ų38.71%0.00618%0.176CC..  trans-64.1156.5172.526.7-34.9000111.8C142 I146 Y268 K269C142-P266 HydrophobicContact CB-CB 4.33Å; I146-P266 HydrophobicContact CD1-CB 3.81Å; I146-P266 HydrophobicContact CD1-CG 4.41Å; P266-Y268 HydrophobicContact CB-CD1 3.82Å; P266-Y268 HydrophobicContact CB-CE1 3.46Å; P266-Y268 VanDerWaalsContact CB-CE1 3.46Å; P266-Y268 HydrophobicContact CG-CD1 4.06Å; P266-Y268 HydrophobicContact CG-CD2 4.38Å; P266-Y268 HydrophobicContact CG-CE1 3.43Å; P266-Y268 VanDerWaalsContact CG-CE1 3.43Å; P266-Y268 HydrophobicContact CG-CE2 3.76Å; P266-Y268 WeakPolarHBondContact CG-OH 3.3Å; P266-Y268 PolarHBondContact O-N 3.07Å; P266-K269 HydrophobicContact CG-CD 4.22Å; P266-K269 HydrophobicContact CG-CG 4.34Å; P266-K269 PolarHBondContact O-N 3.14Å
267F92.5Very high91.1Very high4 Ų435.9 Ų35.92%0.01817%0.169CC..G310 helixtrans-53.1-34.9-174.265.8-105000113.1R82 F135 E138 L139 C142 K269 L270 N325R82-F267 PolarHBondContact NH2-O 3.12Å; F135-F267 HydrophobicContact CD2-CE2 4.4Å; F135-F267 HydrophobicContact CD2-CZ 4.29Å; F135-F267 HydrophobicContact CE2-CD2 4.35Å; F135-F267 AromaticContact CE2-CE2 3.32Å; F135-F267 HydrophobicContact CE2-CE2 3.32Å; F135-F267 AromaticContact CE2-CZ 3.6Å; F135-F267 HydrophobicContact CE2-CZ 3.6Å; F135-F267 AromaticContact CZ-CE2 3.67Å; F135-F267 HydrophobicContact CZ-CE2 3.67Å; F135-F267 HydrophobicContact CZ-CZ 4.28Å; E138-F267 HydrophobicContact CB-CE1 4.42Å; E138-F267 HydrophobicContact CB-CZ 4.44Å; E138-F267 HydrophobicContact CG-CE1 3.83Å; E138-F267 HydrophobicContact CG-CZ 4.26Å; E138-F267 WeakPolarHBondContact OE1-CE1 3.34Å; L139-F267 HydrophobicContact CD2-CD2 4.49Å; L139-F267 HydrophobicContact CD2-CE1 4.33Å; L139-F267 HydrophobicContact CD2-CE2 3.43Å; L139-F267 VanDerWaalsContact CD2-CE2 3.43Å; L139-F267 HydrophobicContact CD2-CZ 3.37Å; L139-F267 HydrophobicContact CG-CE2 4.14Å; L139-F267 HydrophobicContact CG-CZ 3.76Å; C142-F267 HydrophobicContact CB-CD1 4.3Å; C142-F267 HydrophobicContact CB-CE1 4.06Å; F267-K269 PolarHBondContact O-N 3.25Å; F267-L270 VanDerWaalsContact O-CB 3.29Å; F267-L270 WeakPolarHBondContact O-CB 3.49Å; F267-L270 WeakPolarHBondContact O-CG 3.4Å; F267-L270 PolarHBondContact O-N 2.93Å; F267-N325 HydrophobicContact CD1-CB 4.45Å; F267-N325 WeakPolarHBondContact CD1-ND2 3.33Å; F267-N325 WeakPolarHBondContact CD1-OD1 3.31Å
268Y93.8Very high89.6Confident11 Ų1137.5 Ų37.54%0.04319%0.19CC..G310 helixtrans-70-8-173.160-105.5000113.7Y30 A33 I75 M79 L139 C142 P266Y30-Y268 WeakPolarHBondContact CB-OH 3.46Å; Y30-Y268 HydrophobicContact CD2-CE1 4.26Å; A33-Y268 HydrophobicContact CB-CD1 4.49Å; A33-Y268 HydrophobicContact CB-CD2 3.92Å; A33-Y268 HydrophobicContact CB-CG 3.91Å; I75-Y268 HydrophobicContact CG2-CD2 4.47Å; M79-Y268 VanDerWaalsContact CE-CB 3.49Å; L139-Y268 HydrophobicContact CD2-CD1 3.49Å; L139-Y268 VanDerWaalsContact CD2-CD1 3.49Å; L139-Y268 HydrophobicContact CD2-CE1 4.37Å; L139-Y268 HydrophobicContact CD2-CG 3.99Å; C142-Y268 VanDerWaalsContact SG-CE1 3.51Å; P266-Y268 HydrophobicContact CB-CD1 3.82Å; P266-Y268 HydrophobicContact CB-CE1 3.46Å; P266-Y268 VanDerWaalsContact CB-CE1 3.46Å; P266-Y268 HydrophobicContact CG-CD1 4.06Å; P266-Y268 HydrophobicContact CG-CD2 4.38Å; P266-Y268 HydrophobicContact CG-CE1 3.43Å; P266-Y268 VanDerWaalsContact CG-CE1 3.43Å; P266-Y268 HydrophobicContact CG-CE2 3.76Å; P266-Y268 WeakPolarHBondContact CG-OH 3.3Å; P266-Y268 PolarHBondContact O-N 3.07Å
269K95.1Very high88.5Confident14 Ų1429 Ų296%0.06116%0.162CC..G310 helixtrans-93.7-8.5171.6-66.8-175.4173.4-176.20113.5S29 T232 V233 E234 V235 S265 P266 F267S29-K269 VanDerWaalsContact CB-CE 3.41Å; S29-K269 WeakPolarHBondContact OG-CE 3.39Å; T232-K269 WeakPolarHBondContact O-CD 3.28Å; T232-K269 WeakPolarHBondContact O-CE 3.27Å; T232-K269 PolarHBondContact O-NZ 2.66Å; V233-K269 WeakPolarHBondContact O-CD 3.33Å; V233-K269 WeakPolarHBondContact O-CG 3.4Å; E234-K269 CarbonylContact C-O 3.58Å; E234-K269 WeakPolarHBondContact CA-O 3.43Å; V235-K269 PolarHBondContact N-O 3.4Å; S265-K269 WeakPolarHBondContact OG-CB 3.45Å; P266-K269 HydrophobicContact CG-CD 4.22Å; P266-K269 HydrophobicContact CG-CG 4.34Å; P266-K269 PolarHBondContact O-N 3.14Å; F267-K269 PolarHBondContact O-N 3.25Å
270L93.7Very high87.3Confident3 Ų334.5 Ų34.52%0.01619%0.186CC..BIsolated β-bridgetrans-71.8128.8173.9-57.3-180000109.1V235 F267 I334 L337 L341 Y342V235-L270 HydrophobicContact CB-CD2 3.62Å; V235-L270 HydrophobicContact CG1-CD2 3.92Å; V235-L270 HydrophobicContact CG2-CD2 3.9Å; V235-L270 CarbonylContact O-C 3.6Å; F267-L270 VanDerWaalsContact O-CB 3.29Å; F267-L270 WeakPolarHBondContact O-CB 3.49Å; F267-L270 WeakPolarHBondContact O-CG 3.4Å; F267-L270 PolarHBondContact O-N 2.93Å; L270-I334 HydrophobicContact CD2-CD1 4.2Å; L270-L337 HydrophobicContact CD1-CB 4.41Å; L270-L341 HydrophobicContact CD1-CD1 3.7Å; L270-Y342 PolarHBondContact O-OH 2.93Å
271T91.2Very high86Confident0 Ų040.5 Ų40.50%021%0.21CC..  trans-123.2136.6-179.5-1750000111L74 N78 V235 L236 G237 M273 I338L74-T271 HydrophobicContact CD1-CG2 4.13Å; N78-T271 WeakPolarHBondContact ND2-CA 3.44Å; N78-T271 WeakPolarHBondContact ND2-CB 3.22Å; N78-T271 PolarHBondContact ND2-OG1 3.13Å; V235-T271 WeakPolarHBondContact O-CG2 3.42Å; V235-T271 PolarHBondContact O-N 2.89Å; L236-T271 CarbonylContact C-O 3.6Å; L236-T271 HydrophobicContact CB-CG2 4.45Å; L236-T271 HydrophobicContact CD2-CG2 3.35Å; L236-T271 HydrophobicContact CG-CG2 4.46Å; G237-T271 PolarHBondContact N-O 3.23Å; T271-M273 HydrophobicContact CG2-CB 4.3Å; T271-M273 PolarHBondContact O-N 3.16Å; T271-M273 PolarHBondContact OG1-N 3.24Å; T271-I338 VanDerWaalsContact O-CD1 3.28Å; T271-I338 WeakPolarHBondContact O-CD1 3.44Å
272P88.1Confident84.9Confident12 Ų1243 Ų438%0.07822%0.224CC..SBendtrans-73.1-4.4174.632.1-35.4000113N78 I338 Y342 A347N78-P272 WeakPolarHBondContact OD1-CD 3.31Å; P272-I338 HydrophobicContact CB-CG2 3.78Å; P272-Y342 HydrophobicContact CB-CD2 4.2Å; P272-Y342 HydrophobicContact CB-CG 4.26Å; P272-Y342 HydrophobicContact CG-CD1 4.2Å; P272-Y342 HydrophobicContact CG-CD2 4.23Å; P272-Y342 HydrophobicContact CG-CE1 4.5Å; P272-Y342 HydrophobicContact CG-CG 4.05Å; P272-A347 HydrophobicContact CB-CB 4.42Å
273M83.6Confident84Confident36 Ų3643.1 Ų43.118%0.17722%0.224CC..  trans-75.8147.3179.7-173.5178.7-7600111.4L74 G237 T271 L275L74-M273 HydrophobicContact CD1-CB 4.49Å; L74-M273 HydrophobicContact CD1-CE 4.41Å; L74-M273 HydrophobicContact CD1-SD 3.72Å; L74-M273 HydrophobicContact CD2-CE 3.77Å; L74-M273 HydrophobicContact CD2-SD 4Å; G237-M273 PolarHBondContact N-O 2.88Å; T271-M273 HydrophobicContact CG2-CB 4.3Å; T271-M273 PolarHBondContact O-N 3.16Å; T271-M273 PolarHBondContact OG1-N 3.24Å; M273-L275 HydrophobicContact CG-CD2 4.16Å; M273-L275 HydrophobicContact CG-CG 4.5Å; M273-L275 HydrophobicContact SD-CD2 3.76Å; M273-L275 HydrophobicContact SD-CG 4.44Å
274F81Confident83.4Confident101 Ų10143.9 Ų43.944%0.44323%0.228SC..  trans-111.7137.3169.1-60-91.8000108.2D238D238-F274 HydrophobicContact CB-CD1 3.99Å; D238-F274 HydrophobicContact CB-CE1 3.96Å; D238-F274 VanDerWaalsContact N-CE1 3.34Å
275L78.3Confident82.9Confident28 Ų2847.2 Ų47.215%0.14724%0.244CC..  trans-119.1139.4175.4-60.2171.1000107.8L236 M273 D282 F283 L313L236-L275 HydrophobicContact CD1-CB 3.57Å; L236-L275 HydrophobicContact CD1-CD1 3.73Å; L236-L275 HydrophobicContact CD1-CG 3.69Å; L236-L275 HydrophobicContact CD2-CD1 3.89Å; L236-L275 HydrophobicContact CD2-CG 4.3Å; M273-L275 HydrophobicContact CG-CD2 4.16Å; M273-L275 HydrophobicContact CG-CG 4.5Å; M273-L275 HydrophobicContact SD-CD2 3.76Å; M273-L275 HydrophobicContact SD-CG 4.44Å; L275-D282 HydrophobicContact CD2-CB 4.36Å; L275-F283 HydrophobicContact CB-CB 4.48Å; L275-F283 HydrophobicContact CD1-CB 3.53Å; L275-F283 HydrophobicContact CG-CB 4.42Å; L275-L313 HydrophobicContact CB-CD2 4.33Å
276S74.5Confident82.5Confident64 Ų6453.2 Ų53.245%0.44828%0.275SS..  trans-87.1138.3174.2-1780000110.2S278 N279S276-S278 PolarHBondContact O-N 3.15Å; S276-S278 PolarHBondContact OG-N 3.49Å; S276-S278 PolarHBondContact OG-OG 2.96Å; S276-N279 PolarHBondContact O-N 3.44Å; S276-N279 VanDerWaalsContact O-N 3.15Å
277E69Low82.1Confident108 Ų10857.1 Ų57.151%0.50529%0.29SS..THydrogen-bonded Turntrans-56.9-29.2170.8-66.9-179.2-168.300112.3N279 L313E277-N279 VanDerWaalsContact C-N 3.27Å; E277-N279 PolarHBondContact O-N 2.89Å; E277-L313 HydrophobicContact CB-CD2 4.43Å; E277-L313 HydrophobicContact CG-CD2 3.86Å
278S67.5Low81.9Confident107 Ų10759.6 Ų59.675%0.74831%0.307SS*.THydrogen-bonded Turntrans-70.1-21.8-178.965.40000113.7S276S276-S278 PolarHBondContact O-N 3.15Å; S276-S278 PolarHBondContact OG-N 3.49Å; S276-S278 PolarHBondContact OG-OG 2.96Å
279N74.7Confident81.6Confident54 Ų5461.8 Ų61.829%0.28932%0.323SS..  trans-109.278.5-173.9-158.5-3.4000111.8S276 E277 E281 D282 F283S276-N279 PolarHBondContact O-N 3.44Å; S276-N279 VanDerWaalsContact O-N 3.15Å; E277-N279 VanDerWaalsContact C-N 3.27Å; E277-N279 PolarHBondContact O-N 2.89Å; N279-E281 PolarHBondContact O-N 3.32Å; N279-D282 HydrophobicContact CB-CB 4.38Å; N279-D282 VanDerWaalsContact CG-OD2 3.25Å; N279-D282 PolarHBondContact ND2-OD1 2.98Å; N279-D282 PolarHBondContact ND2-OD2 2.86Å; N279-D282 PolarHBondContact O-N 3.33Å; N279-F283 VanDerWaalsContact O-CD1 3.3Å; N279-F283 WeakPolarHBondContact O-CD1 3.34Å
280Q71.4Confident81.2Confident129 Ų12967 Ų6760%0.60335%0.349SS*.Hα-helixtrans-60.9-27.8178.1-66.5-165-1.800113.1D282 F283 N284Q280-D282 VanDerWaalsContact C-N 3.27Å; Q280-D282 PolarHBondContact O-N 3.36Å; Q280-F283 HydrophobicContact CB-CE1 4.32Å; Q280-F283 HydrophobicContact CB-CZ 4.5Å; Q280-F283 HydrophobicContact CG-CE1 4.11Å; Q280-F283 HydrophobicContact CG-CZ 4.13Å; Q280-N284 WeakPolarHBondContact O-CB 3.37Å; Q280-N284 PolarHBondContact O-N 2.69Å
281E71.7Confident80.9Confident167 Ų16770.2 Ų70.278%0.7836%0.364SS*.Hα-helixtrans-65.8-31.8-179.9-62.5-172.1171.200112.3N279N279-E281 PolarHBondContact O-N 3.32Å
282D74.5Confident80.7Confident54 Ų5474.3 Ų74.329%0.28939%0.386SS..Hα-helixtrans-72.1-47.8-177.8-71.3-8000111.9L275 N279 Q280L275-D282 HydrophobicContact CD2-CB 4.36Å; N279-D282 HydrophobicContact CB-CB 4.38Å; N279-D282 VanDerWaalsContact CG-OD2 3.25Å; N279-D282 PolarHBondContact ND2-OD1 2.98Å; N279-D282 PolarHBondContact ND2-OD2 2.86Å; N279-D282 PolarHBondContact O-N 3.33Å; Q280-D282 VanDerWaalsContact C-N 3.27Å; Q280-D282 PolarHBondContact O-N 3.36Å
283F78.9Confident80.6Confident12 Ų1274.5 Ų74.55%0.05339%0.386CS..Hα-helixtrans-95.8-26.3-171.676.1-100.8000113.6R242 L275 N279 Q280 L313R242-F283 WeakPolarHBondContact CD-O 3.43Å; L275-F283 HydrophobicContact CB-CB 4.48Å; L275-F283 HydrophobicContact CD1-CB 3.53Å; L275-F283 HydrophobicContact CG-CB 4.42Å; N279-F283 VanDerWaalsContact O-CD1 3.3Å; N279-F283 WeakPolarHBondContact O-CD1 3.34Å; Q280-F283 HydrophobicContact CB-CE1 4.32Å; Q280-F283 HydrophobicContact CB-CZ 4.5Å; Q280-F283 HydrophobicContact CG-CE1 4.11Å; Q280-F283 HydrophobicContact CG-CZ 4.13Å; F283-L313 HydrophobicContact CD1-CB 4.37Å; F283-L313 HydrophobicContact CD1-CD2 4.36Å; F283-L313 HydrophobicContact CD2-CB 4.16Å; F283-L313 HydrophobicContact CE1-CB 4.08Å; F283-L313 HydrophobicContact CE1-CD2 4.38Å; F283-L313 HydrophobicContact CE2-CB 3.89Å; F283-L313 HydrophobicContact CG-CB 4.4Å; F283-L313 HydrophobicContact CZ-CB 3.85Å
284N84.7Confident80.6Confident16 Ų1675.7 Ų75.79%0.08640%0.397CS..  trans-89.7153.2-172.5-143.3-29.6000112.2K72 Q280 P309 A310 F311K72-N284 PolarHBondContact NZ-O 2.97Å; Q280-N284 WeakPolarHBondContact O-CB 3.37Å; Q280-N284 PolarHBondContact O-N 2.69Å; N284-P309 WeakPolarHBondContact ND2-CB 3.44Å; N284-P309 WeakPolarHBondContact OD1-CB 3.17Å; N284-A310 PolarHBondContact OD1-N 2.64Å; N284-A310 VanDerWaalsContact OD1-N 3.14Å; N284-F311 VanDerWaalsContact CG-O 3.32Å; N284-F311 PolarHBondContact ND2-O 3.23Å; N284-F311 PolarHBondContact OD1-N 3.13Å; N284-F311 VanDerWaalsContact OD1-N 3.11Å; N284-F311 PolarHBondContact OD1-O 3.28Å
285E86.5Confident80.7Confident70 Ų7078.9 Ų78.933%0.32741%0.411SS..  trans-124.6115.1173.9-169177.9155.300108.6K72 R287 A310 F311K72-E285 HydrophobicContact CD-CB 3.94Å; K72-E285 HydrophobicContact CD-CG 3.93Å; E285-R287 PolarHBondContact O-N 3.26Å; E285-A310 HydrophobicContact CB-CB 4.15Å; E285-A310 WeakPolarHBondContact O-CB 3.35Å; E285-A310 PolarHBondContact O-N 3.4Å; E285-F311 HydrophobicContact CB-CD2 4.06Å; E285-F311 HydrophobicContact CB-CE2 3.76Å
286L86.3Confident80.9Confident126 Ų12687.1 Ų87.166%0.6645%0.446SS*.BIsolated β-bridgetrans-74.1115.6173.9-64.6178.5000108.7N308L286-N308 WeakPolarHBondContact CA-O 3.26Å
287R87.7Confident81.2Confident83 Ų8389.2 Ų89.231%0.31345%0.448SS..  trans-81.9172.9174.4-80.5178.8170.9-175.4-5.1111.3E285 P289 E291 N308 A310E285-R287 PolarHBondContact O-N 3.26Å; R287-P289 WeakPolarHBondContact O-CD 3.01Å; R287-E291 WeakPolarHBondContact CD-OE2 3.19Å; R287-N308 HydrophobicContact CB-CB 4.4Å; R287-N308 VanDerWaalsContact CB-ND2 3.35Å; R287-N308 WeakPolarHBondContact CB-ND2 3.35Å; R287-N308 PolarHBondContact N-O 2.93Å; R287-A310 HydrophobicContact CG-CB 4.01Å
288S88.7Confident81.4Confident56 Ų5687 Ų8739%0.39244%0.442SS..  trans-59.2128178.8-178.90000110.5M290 E291 N308S288-M290 PolarHBondContact O-N 3.28Å; S288-M290 VanDerWaalsContact O-N 3.14Å; S288-M290 PolarHBondContact OG-N 2.74Å; S288-E291 WeakPolarHBondContact O-CB 3.25Å; S288-E291 PolarHBondContact O-N 3.11Å; S288-E291 VanDerWaalsContact O-N 3.13Å; S288-N308 PolarHBondContact O-ND2 3.24Å
289P87.3Confident81.9Confident58 Ų5890.3 Ų90.338%0.37745%0.446SS..G310 helixtrans-56.9-25.2171.6-29.237.6000113.6R287 E291 L292 V293 I306R287-P289 WeakPolarHBondContact O-CD 3.01Å; P289-E291 PolarHBondContact O-N 2.6Å; P289-L292 PolarHBondContact O-N 3.21Å; P289-V293 PolarHBondContact O-N 3.42Å; P289-I306 HydrophobicContact CB-CB 4.04Å; P289-I306 HydrophobicContact CB-CD1 4.4Å; P289-I306 HydrophobicContact CB-CG2 3.78Å
290M86.9Confident82Confident123 Ų12393.9 Ų93.961%0.60647%0.469SS*.G310 helixtrans-66.6-19.4179.3-66.7-134.9-65.700113.7S288 L292 V293S288-M290 PolarHBondContact O-N 3.28Å; S288-M290 VanDerWaalsContact O-N 3.14Å; S288-M290 PolarHBondContact OG-N 2.74Å; M290-L292 VanDerWaalsContact C-N 3.29Å; M290-V293 WeakPolarHBondContact CA-O 3.41Å
291E86.6Confident82.2Confident70 Ų7089.5 Ų89.533%0.32745%0.451SS..G310 helixtrans-68.4-33.1172-66.3172.2-166.700111.2P191 L192 R287 S288 P289 N308P191-E291 VanDerWaalsContact CB-O 3.24Å; P191-E291 WeakPolarHBondContact CB-O 3.08Å; P191-E291 HydrophobicContact CG-CB 4.24Å; L192-E291 HydrophobicContact CD2-CG 4.23Å; R287-E291 WeakPolarHBondContact CD-OE2 3.19Å; S288-E291 WeakPolarHBondContact O-CB 3.25Å; S288-E291 PolarHBondContact O-N 3.11Å; S288-E291 VanDerWaalsContact O-N 3.13Å; P289-E291 PolarHBondContact O-N 2.6Å; E291-N308 PolarHBondContact OE2-ND2 3.15Å; E291-N308 VanDerWaalsContact OE2-ND2 3.15Å
292L86.1Confident82.2Confident86 Ų8685.8 Ų85.845%0.4544%0.443SS..THydrogen-bonded Turntrans-88.4-45.2179.8-173.767.4000112P289 M290 I306P289-L292 PolarHBondContact O-N 3.21Å; M290-L292 VanDerWaalsContact C-N 3.29Å; L292-I306 HydrophobicContact CB-CG2 4.47Å; L292-I306 HydrophobicContact CD2-CG2 3.84Å
293V86.6Confident82.5Confident16 Ų1693.6 Ų93.610%0.09747%0.474CS..SBendtrans-119.3101.4-177.6-176.40000108.8P289 M290 E297 V298 V301 I306P289-V293 PolarHBondContact O-N 3.42Å; M290-V293 WeakPolarHBondContact CA-O 3.41Å; V293-E297 HydrophobicContact CG1-CB 3.92Å; V293-V298 HydrophobicContact CG1-CG2 4.45Å; V293-V301 HydrophobicContact CG1-CB 4.44Å; V293-V301 HydrophobicContact CG1-CG2 3.88Å; V293-V301 HydrophobicContact CG2-CG1 4.45Å; V293-V301 HydrophobicContact CG2-CG2 4.19Å; V293-I306 HydrophobicContact CB-CD1 4.13Å; V293-I306 HydrophobicContact CG2-CD1 3.81Å; V293-I306 HydrophobicContact CG2-CG1 4.47Å
294P84.4Confident82.7Confident62 Ų6296.3 Ų96.340%0.40350%0.495SS..  trans-56.7149.6173.7-23.333.5000111K296 E297P294-K296 PolarHBondContact O-N 3.01Å; P294-E297 PolarHBondContact O-N 3.2Å
295F82.1Confident82.8Confident168 Ų168104.4 Ų104.474%0.73753%0.532SS*.G310 helixtrans-50.3-30.8-177.1-174.8-99.4000114.2E297 V298F295-E297 PolarHBondContact O-N 2.9Å; F295-V298 HydrophobicContact CD2-CG2 4.47Å; F295-V298 WeakPolarHBondContact O-CG2 3.5Å; F295-V298 PolarHBondContact O-N 2.94Å
296K83.4Confident82.7Confident201 Ų201103.6 Ų103.687%0.87453%0.529SS*.G310 helixtrans-66.4-21.2179-63.5-177.4-179.6179.10114.2P294P294-K296 PolarHBondContact O-N 3.01Å
297E80.4Confident82.7Confident108 Ų108101.9 Ų101.951%0.50553%0.527SS..G310 helixtrans-106.80.4-175-66.4176.3-162.900112.5V293 P294 F295 E299 V300V293-E297 HydrophobicContact CG1-CB 3.92Å; P294-E297 PolarHBondContact O-N 3.2Å; F295-E297 PolarHBondContact O-N 2.9Å; E297-E299 PolarHBondContact O-N 2.96Å; E297-V300 WeakPolarHBondContact O-CB 3.43Å; E297-V300 PolarHBondContact O-N 3.45Å
298V73.9Confident82.8Confident60 Ų6098.7 Ų98.736%0.36452%0.516SS..Hα-helixtrans-57.4-36.3-177.4174.10000111.7V293 F295 V300 V301 C302V293-V298 HydrophobicContact CG1-CG2 4.45Å; F295-V298 HydrophobicContact CD2-CG2 4.47Å; F295-V298 WeakPolarHBondContact O-CG2 3.5Å; F295-V298 PolarHBondContact O-N 2.94Å; V298-V300 PolarHBondContact O-N 3.1Å; V298-V300 VanDerWaalsContact O-N 3.17Å; V298-V301 CarbonylContact O-C 3.6Å; V298-V301 PolarHBondContact O-N 3.27Å; V298-C302 PolarHBondContact O-N 3.26Å; V298-C302 PolarHBondContact O-SG 2.77Å
299E76.8Confident82.9Confident178 Ų17898.5 Ų98.583%0.83251%0.513SS*.Hα-helixtrans-56.2-32.8177.8-70.2-172.7178.300113.3E297 V301 C302E297-E299 PolarHBondContact O-N 2.96Å; E299-V301 VanDerWaalsContact C-N 3.33Å; E299-C302 VanDerWaalsContact CA-SG 3.53Å
300V76.5Confident83.1Confident129 Ų12995.9 Ų95.978%0.78250%0.497SS*.Hα-helixtrans-73.2-30.7179.5-174.90000111.2E297 V298E297-V300 WeakPolarHBondContact O-CB 3.43Å; E297-V300 PolarHBondContact O-N 3.45Å; V298-V300 PolarHBondContact O-N 3.1Å; V298-V300 VanDerWaalsContact O-N 3.17Å
301V77.1Confident83.4Confident36 Ų3691 Ų9122%0.21847%0.472CS..Hα-helixtrans-109.45.5-168.6-159.80000111.7V293 V298 E299 K303 S304 I306V293-V301 HydrophobicContact CG1-CB 4.44Å; V293-V301 HydrophobicContact CG1-CG2 3.88Å; V293-V301 HydrophobicContact CG2-CG1 4.45Å; V293-V301 HydrophobicContact CG2-CG2 4.19Å; V298-V301 CarbonylContact O-C 3.6Å; V298-V301 PolarHBondContact O-N 3.27Å; E299-V301 VanDerWaalsContact C-N 3.33Å; V301-K303 PolarHBondContact O-N 3.24Å; V301-S304 WeakPolarHBondContact CG1-OG 3.46Å; V301-S304 PolarHBondContact O-N 2.88Å; V301-S304 PolarHBondContact O-OG 2.82Å; V301-I306 HydrophobicContact CB-CD1 4.4Å; V301-I306 HydrophobicContact CG1-CD1 3.76Å; V301-I306 HydrophobicContact CG1-CG1 3.78Å
302C70.7Confident83.7Confident90 Ų9089.3 Ų89.361%0.60847%0.465SS*.THydrogen-bonded Turntrans-52.5-21.9-170.4-88.50000116.8V298 E299V298-C302 PolarHBondContact O-N 3.26Å; V298-C302 PolarHBondContact O-SG 2.77Å; E299-C302 VanDerWaalsContact CA-SG 3.53Å
303K81.3Confident84Confident218 Ų21885.7 Ų85.795%0.94845%0.447SS*.THydrogen-bonded Turntrans-110.32.4-178.1-67.7-174.3179.6179.20114.1V301V301-K303 PolarHBondContact O-N 3.24Å
304S83.9Confident84.4Confident69 Ų6985 Ų8548%0.48344%0.442SS..SBendtrans-108.3145.5-177.634.20000111.5V301V301-S304 WeakPolarHBondContact CG1-OG 3.46Å; V301-S304 PolarHBondContact O-N 2.88Å; V301-S304 PolarHBondContact O-OG 2.82Å
305E85.6Confident84.9Confident185 Ų18582.3 Ų82.386%0.86443%0.425SS*.  trans-75.8131.7168.8-65.2178.8177.300109.2
306I84Confident85.5Confident53 Ų5376.1 Ų76.127%0.27240%0.402SS..  trans-106.8112.7-179.1-59.9168.3000108.4P289 L292 V293 V301P289-I306 HydrophobicContact CB-CB 4.04Å; P289-I306 HydrophobicContact CB-CD1 4.4Å; P289-I306 HydrophobicContact CB-CG2 3.78Å; L292-I306 HydrophobicContact CB-CG2 4.47Å; L292-I306 HydrophobicContact CD2-CG2 3.84Å; V293-I306 HydrophobicContact CB-CD1 4.13Å; V293-I306 HydrophobicContact CG2-CD1 3.81Å; V293-I306 HydrophobicContact CG2-CG1 4.47Å; V301-I306 HydrophobicContact CB-CD1 4.4Å; V301-I306 HydrophobicContact CG1-CD1 3.76Å; V301-I306 HydrophobicContact CG1-CG1 3.78Å
307C86.1Confident86Confident90 Ų9073.4 Ų73.461%0.60839%0.388SS*.  trans-102.5127.1174.8-59.60000110.2
308N90.5Very high86.8Confident16 Ų1668.5 Ų68.59%0.08637%0.365CS..  trans-127.375.9176.6-175.716.1000110.2L286 R287 S288 E291L286-N308 WeakPolarHBondContact CA-O 3.26Å; R287-N308 HydrophobicContact CB-CB 4.4Å; R287-N308 VanDerWaalsContact CB-ND2 3.35Å; R287-N308 WeakPolarHBondContact CB-ND2 3.35Å; R287-N308 PolarHBondContact N-O 2.93Å; S288-N308 PolarHBondContact O-ND2 3.24Å; E291-N308 PolarHBondContact OE2-ND2 3.15Å; E291-N308 VanDerWaalsContact OE2-ND2 3.15Å
309P91.8Very high87.9Confident52 Ų5266.1 Ų66.134%0.33835%0.35SS..BIsolated β-bridgetrans-67.9134.2176.627.2-32.5000111.6A245 N284A245-P309 WeakPolarHBondContact CB-O 3.47Å; N284-P309 WeakPolarHBondContact ND2-CB 3.44Å; N284-P309 WeakPolarHBondContact OD1-CB 3.17Å
310A91.1Very high88.9Confident4 Ų461.4 Ų61.43%0.03333%0.333CS..  trans-81.9-28.8178.700000113.8A245 N284 E285 R287A245-A310 PolarHBondContact N-O 2.86Å; N284-A310 PolarHBondContact OD1-N 2.64Å; N284-A310 VanDerWaalsContact OD1-N 3.14Å; E285-A310 HydrophobicContact CB-CB 4.15Å; E285-A310 WeakPolarHBondContact O-CB 3.35Å; E285-A310 PolarHBondContact O-N 3.4Å; R287-A310 HydrophobicContact CG-CB 4.01Å
311F92.9Very high89.8Confident20 Ų2057.1 Ų57.19%0.08831%0.306CS..EExtended strand (participates in β ladder)trans-132.3149.3-166.5-53.1-60.5000113.4V233 R242 A243 N284 E285V233-F311 HydrophobicContact CB-CE1 4.48Å; V233-F311 HydrophobicContact CG1-CE1 4.4Å; V233-F311 HydrophobicContact CG2-CD1 3.9Å; V233-F311 HydrophobicContact CG2-CE1 3.63Å; R242-F311 HydrophobicContact CG-CB 4.02Å; R242-F311 HydrophobicContact CG-CG 4.29Å; A243-F311 CarbonylContact O-C 3.5Å; A243-F311 WeakPolarHBondContact O-CA 3.28Å; A243-F311 WeakPolarHBondContact O-CB 3.36Å; N284-F311 VanDerWaalsContact CG-O 3.32Å; N284-F311 PolarHBondContact ND2-O 3.23Å; N284-F311 PolarHBondContact OD1-N 3.13Å; N284-F311 VanDerWaalsContact OD1-N 3.11Å; N284-F311 PolarHBondContact OD1-O 3.28Å; E285-F311 HydrophobicContact CB-CD2 4.06Å; E285-F311 HydrophobicContact CB-CE2 3.76Å
312D92.7Very high90.7Very high35 Ų3555.4 Ų55.419%0.18730%0.296CS..EExtended strand (participates in β ladder)trans-112.6150.1167.2-72.7-17.5000110.2R242 A243 G246 T247 Y248R242-D312 WeakPolarHBondContact CA-O 3.43Å; A243-D312 PolarHBondContact N-O 3.44Å; A243-D312 PolarHBondContact O-N 3.22Å; G246-D312 WeakPolarHBondContact CA-OD2 3.47Å; G246-D312 PolarHBondContact N-OD2 3.05Å; T247-D312 PolarHBondContact N-OD2 3.24Å; Y248-D312 WeakPolarHBondContact CB-OD2 3.49Å; Y248-D312 PolarHBondContact N-OD2 3.21Å
313L93.4Very high92Very high10 Ų1051.1 Ų51.15%0.05227%0.267CS..EExtended strand (participates in β ladder)trans-100101.7170.1-17664.1000110L236 L241 Y248 L275 E277 F283L236-L313 HydrophobicContact CD1-CD1 3.51Å; L236-L313 HydrophobicContact CG-CD1 4.43Å; L241-L313 CarbonylContact O-C 3.21Å; L241-L313 WeakPolarHBondContact O-CA 3.05Å; Y248-L313 WeakPolarHBondContact CD1-O 3.46Å; Y248-L313 WeakPolarHBondContact CE1-O 3.37Å; L275-L313 HydrophobicContact CB-CD2 4.33Å; E277-L313 HydrophobicContact CB-CD2 4.43Å; E277-L313 HydrophobicContact CG-CD2 3.86Å; F283-L313 HydrophobicContact CD1-CB 4.37Å; F283-L313 HydrophobicContact CD1-CD2 4.36Å; F283-L313 HydrophobicContact CD2-CB 4.16Å; F283-L313 HydrophobicContact CE1-CB 4.08Å; F283-L313 HydrophobicContact CE1-CD2 4.38Å; F283-L313 HydrophobicContact CE2-CB 3.89Å; F283-L313 HydrophobicContact CG-CB 4.4Å; F283-L313 HydrophobicContact CZ-CB 3.85Å
314V94.6Very high92.6Very high0 Ų040.9 Ų40.90%022%0.222CC..EExtended strand (participates in β ladder)trans-88.9120-178.4-175.80000109.8S240 L241 A243 T247 C251 L318S240-V314 CarbonylContact C-O 3.55Å; S240-V314 VanDerWaalsContact CA-O 3.27Å; S240-V314 WeakPolarHBondContact CA-O 3.21Å; S240-V314 WeakPolarHBondContact CB-O 3.41Å; L241-V314 HydrophobicContact CB-CB 4.1Å; L241-V314 HydrophobicContact CD1-CB 4.42Å; L241-V314 PolarHBondContact N-O 3.38Å; L241-V314 PolarHBondContact O-N 3.47Å; A243-V314 HydrophobicContact CB-CG2 4.4Å; T247-V314 HydrophobicContact CG2-CG2 4Å; C251-V314 HydrophobicContact CB-CG1 3.9Å; V314-L318 HydrophobicContact CG1-CB 4.32Å; V314-L318 HydrophobicContact CG1-CD1 4.19Å
315P94.4Very high92.8Very high7 Ų738.4 Ų38.45%0.04520%0.204CC..  trans-69.9151.8-179.229-37000112.3Y248 Y317 L318Y248-P315 HydrophobicContact CE1-CG 4.28Å; P315-Y317 VanDerWaalsContact C-N 3.28Å; P315-Y317 HydrophobicContact CB-CD1 3.66Å; P315-Y317 HydrophobicContact CB-CE1 3.32Å; P315-Y317 HydrophobicContact CG-CD1 4Å; P315-Y317 HydrophobicContact CG-CE1 3.31Å; P315-Y317 HydrophobicContact CG-CE2 4.38Å; P315-Y317 PolarHBondContact O-N 3.36Å; P315-L318 HydrophobicContact CG-CD1 3.79Å; P315-L318 HydrophobicContact CG-CG 4.08Å; P315-L318 PolarHBondContact O-N 3.28Å
316S94.2Very high92.9Very high38 Ų3834.7 Ų34.727%0.26619%0.193SC..G310 helixtrans-63.8-27.6-172.159.10000114.4D238 L318 I319D238-S316 WeakPolarHBondContact O-CB 3.27Å; D238-S316 PolarHBondContact O-OG 3.25Å; S316-L318 PolarHBondContact O-N 3.42Å; S316-I319 WeakPolarHBondContact O-CB 3.29Å; S316-I319 PolarHBondContact O-N 2.71Å; S316-I319 VanDerWaalsContact O-N 3.1Å
317Y95.1Very high93.1Very high144 Ų14434.1 Ų34.157%0.56519%0.194SC*.G310 helixtrans-69.9-15.4-179.768.9-97.8000114.2P315 I319P315-Y317 VanDerWaalsContact C-N 3.28Å; P315-Y317 HydrophobicContact CB-CD1 3.66Å; P315-Y317 HydrophobicContact CB-CE1 3.32Å; P315-Y317 HydrophobicContact CG-CD1 4Å; P315-Y317 HydrophobicContact CG-CE1 3.31Å; P315-Y317 HydrophobicContact CG-CE2 4.38Å; P315-Y317 PolarHBondContact O-N 3.36Å; Y317-I319 VanDerWaalsContact C-N 3.33Å
318L96.9Very high93.3Very high5 Ų531.2 Ų31.23%0.02618%0.179CC..G310 helixtrans-84.4-11.1173.8-62.9176.2000112.5Y248 C251 L252 H255 V261 V314 P315 S316Y248-L318 HydrophobicContact CD2-CD1 4.44Å; Y248-L318 HydrophobicContact CE2-CD1 4.06Å; C251-L318 HydrophobicContact CB-CB 3.99Å; C251-L318 HydrophobicContact CB-CD1 3.89Å; L252-L318 HydrophobicContact CD2-CD1 4.18Å; L252-L318 HydrophobicContact CD2-CD2 4.25Å; L252-L318 HydrophobicContact CG-CD1 4.31Å; H255-L318 HydrophobicContact CB-CD2 3.55Å; V261-L318 WeakPolarHBondContact CG2-O 3.42Å; V314-L318 HydrophobicContact CG1-CB 4.32Å; V314-L318 HydrophobicContact CG1-CD1 4.19Å; P315-L318 HydrophobicContact CG-CD1 3.79Å; P315-L318 HydrophobicContact CG-CG 4.08Å; P315-L318 PolarHBondContact O-N 3.28Å; S316-L318 PolarHBondContact O-N 3.42Å
319I96.9Very high93.4Very high10 Ų1031.2 Ų31.25%0.05118%0.179CC..  trans-99.4129.8-173.9-53.7161.7000108.8G239 L241 V263 S316 Y317 L322 P331G239-I319 WeakPolarHBondContact O-CD1 3.36Å; L241-I319 HydrophobicContact CD1-CD1 3.6Å; L241-I319 HydrophobicContact CD1-CG1 4Å; L241-I319 HydrophobicContact CD2-CD1 3.9Å; L241-I319 HydrophobicContact CG-CD1 3.43Å; L241-I319 VanDerWaalsContact CG-CD1 3.43Å; L241-I319 HydrophobicContact CG-CG1 4.35Å; V263-I319 HydrophobicContact CG2-CG1 4.47Å; V263-I319 HydrophobicContact CG2-CG2 3.71Å; S316-I319 WeakPolarHBondContact O-CB 3.29Å; S316-I319 PolarHBondContact O-N 2.71Å; S316-I319 VanDerWaalsContact O-N 3.1Å; Y317-I319 VanDerWaalsContact C-N 3.33Å; I319-L322 HydrophobicContact CG2-CG 4.14Å; I319-P331 HydrophobicContact CB-CG 3.83Å; I319-P331 HydrophobicContact CG2-CG 3.91Å
320T96.5Very high93.5Very high78 Ų7830.9 Ų30.948%0.47918%0.181SC..  trans-88.9-44.1177.9-48.40000111.6P260 V261P260-T320 WeakPolarHBondContact CA-OG1 3.35Å; P260-T320 HydrophobicContact CB-CG2 3.99Å; V261-T320 PolarHBondContact N-OG1 3.29Å; V261-T320 WeakPolarHBondContact O-CA 3.48Å; V261-T320 VanDerWaalsContact O-CB 3.31Å; V261-T320 WeakPolarHBondContact O-CB 3.46Å; V261-T320 PolarHBondContact O-N 2.64Å
321L96.8Very high93.6Very high39 Ų3931.4 Ų31.420%0.20418%0.184CC..EExtended strand (participates in β ladder)trans-150.4137.4-173.9-169.971.3000111.8H153 V261 I262 V263 I323H153-L321 WeakPolarHBondContact CE1-CD2 3.47Å; V261-L321 PolarHBondContact O-N 2.92Å; V261-L321 VanDerWaalsContact O-N 3.16Å; I262-L321 CarbonylContact C-O 3.57Å; I262-L321 WeakPolarHBondContact CA-O 3.38Å; I262-L321 HydrophobicContact CG1-CB 4.4Å; I262-L321 HydrophobicContact CG2-CB 4.49Å; V263-L321 PolarHBondContact N-O 3.39Å; L321-I323 HydrophobicContact CD2-CG1 4.17Å; L321-I323 HydrophobicContact CG-CG1 4.49Å
322L96.3Very high93.5Very high1 Ų135.5 Ų35.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-108.4111.2171.9-77.1157000109.6V235 L241 V263 I319 G328 N329 P331 I334V235-L322 HydrophobicContact CG1-CD1 4.1Å; V235-L322 HydrophobicContact CG1-CD2 4.42Å; V235-L322 HydrophobicContact CG2-CD2 4.08Å; L241-L322 HydrophobicContact CD2-CD2 4Å; V263-L322 HydrophobicContact CB-CD2 3.47Å; V263-L322 VanDerWaalsContact CB-CD2 3.47Å; V263-L322 HydrophobicContact CB-CG 4.34Å; V263-L322 HydrophobicContact CG1-CD2 3.5Å; V263-L322 HydrophobicContact CG2-CD2 4.23Å; V263-L322 CarbonylContact O-C 3.58Å; V263-L322 WeakPolarHBondContact O-CA 3.45Å; I319-L322 HydrophobicContact CG2-CG 4.14Å; L322-G328 CarbonylContact O-C 3.49Å; L322-G328 WeakPolarHBondContact O-CA 3.14Å; L322-N329 PolarHBondContact N-O 2.89Å; L322-N329 PolarHBondContact O-N 3.39Å; L322-P331 HydrophobicContact CD1-CB 4.33Å; L322-P331 HydrophobicContact CD1-CG 4.32Å; L322-I334 HydrophobicContact CB-CD1 4.25Å; L322-I334 HydrophobicContact CD1-CD1 3.56Å; L322-I334 HydrophobicContact CD1-CG1 3.47Å; L322-I334 VanDerWaalsContact CD1-CG1 3.47Å; L322-I334 HydrophobicContact CG-CD1 4.48Å
323I96.1Very high93.4Very high0 Ų037.9 Ų37.90%022%0.222CC..EExtended strand (participates in β ladder)trans-87.2111.5175.9-59.2178000108.6I146 Q149 H153 F172 I262 V263 S265 L321I146-I323 HydrophobicContact CG2-CG2 4.03Å; Q149-I323 HydrophobicContact CB-CG2 4.34Å; H153-I323 WeakPolarHBondContact CD2-CD1 3.12Å; F172-I323 HydrophobicContact CE2-CD1 3.66Å; F172-I323 HydrophobicContact CE2-CG2 4.38Å; F172-I323 HydrophobicContact CZ-CD1 3.51Å; I262-I323 HydrophobicContact CG2-CD1 3.42Å; I262-I323 VanDerWaalsContact CG2-CD1 3.42Å; I262-I323 HydrophobicContact CG2-CG1 3.77Å; V263-I323 PolarHBondContact O-N 2.65Å; S265-I323 PolarHBondContact N-O 3.3Å; L321-I323 HydrophobicContact CD2-CG1 4.17Å; L321-I323 HydrophobicContact CG-CG1 4.49Å
324T93.9Very high93.3Very high3 Ų337.4 Ų37.42%0.01822%0.22CC..  trans-101.5179.5172.172.60000110.6Q149 S265 V326 S327Q149-T324 PolarHBondContact NE2-O 3.26Å; S265-T324 WeakPolarHBondContact O-CA 3.46Å; T324-V326 PolarHBondContact O-N 3.1Å; T324-V326 PolarHBondContact OG1-N 2.84Å; T324-S327 PolarHBondContact N-O 3.39Å; T324-S327 PolarHBondContact OG1-N 2.94Å; T324-S327 PolarHBondContact OG1-O 3.09Å
325N89.8Confident92.9Very high17 Ų1744 Ų449%0.09125%0.245CC..SBendtrans-64.3-21.4175.461.8-56.4000113.7E138 C142 N145 F267E138-N325 PolarHBondContact OE1-ND2 2.81Å; C142-N325 HydrophobicContact CB-CB 3.94Å; N145-N325 HydrophobicContact CB-CB 4.16Å; N145-N325 WeakPolarHBondContact CB-O 3.33Å; F267-N325 HydrophobicContact CD1-CB 4.45Å; F267-N325 WeakPolarHBondContact CD1-ND2 3.33Å; F267-N325 WeakPolarHBondContact CD1-OD1 3.31Å
326V86.8Confident92.8Very high106 Ų10650.3 Ų50.364%0.64227%0.268SS*.SBendtrans-92.2-50.9-179.5-175.60000110.4T324T324-V326 PolarHBondContact O-N 3.1Å; T324-V326 PolarHBondContact OG1-N 2.84Å
327S88Confident92.6Very high42 Ų4249.3 Ų49.329%0.29426%0.26SS..  trans-166.5167.9-175.260.40000112.4T324 N329T324-S327 PolarHBondContact N-O 3.39Å; T324-S327 PolarHBondContact OG1-N 2.94Å; T324-S327 PolarHBondContact OG1-O 3.09Å; S327-N329 PolarHBondContact O-ND2 2.89Å; S327-N329 PolarHBondContact OG-ND2 3.32Å; S327-N329 PolarHBondContact OG-OD1 3.29Å
328G90.1Very high92.3Very high29 Ų2943 Ų4330%0.29924%0.236SC..EExtended strand (participates in β ladder)trans-71.3122161.500000111.4L322L322-G328 CarbonylContact O-C 3.49Å; L322-G328 WeakPolarHBondContact O-CA 3.14Å
329N92.9Very high91.9Very high16 Ų1646.2 Ų46.29%0.08625%0.253CS..EExtended strand (participates in β ladder)trans-123.1145.7-179.1-66.8-73.5000111.2L322 S327 Y333 L337L322-N329 PolarHBondContact N-O 2.89Å; L322-N329 PolarHBondContact O-N 3.39Å; S327-N329 PolarHBondContact O-ND2 2.89Å; S327-N329 PolarHBondContact OG-ND2 3.32Å; S327-N329 PolarHBondContact OG-OD1 3.29Å; N329-Y333 HydrophobicContact CB-CD1 3.86Å; N329-Y333 HydrophobicContact CB-CG 4.41Å; N329-Y333 WeakPolarHBondContact OD1-CD1 3.31Å; N329-Y333 WeakPolarHBondContact OD1-CE1 3.33Å; N329-L337 HydrophobicContact CB-CD1 4.34Å
330A94Very high91.6Very high45 Ų4549.7 Ų49.737%0.37227%0.269SS..  trans-68.5151.7169.400000110.2S332 Y333A330-S332 PolarHBondContact O-N 3.44Å; A330-S332 VanDerWaalsContact O-N 3.15Å; A330-Y333 WeakPolarHBondContact O-CB 3.45Å; A330-Y333 PolarHBondContact O-N 3.49Å
331P92.3Very high91.3Very high15 Ų1548.1 Ų48.110%0.09726%0.258CS..G310 helixtrans-53.8-35.5177.7-27.335000114.2I319 L322 Y333 I334I319-P331 HydrophobicContact CB-CG 3.83Å; I319-P331 HydrophobicContact CG2-CG 3.91Å; L322-P331 HydrophobicContact CD1-CB 4.33Å; L322-P331 HydrophobicContact CD1-CG 4.32Å; P331-Y333 PolarHBondContact O-N 3.47Å; P331-I334 VanDerWaalsContact O-CB 3.24Å; P331-I334 WeakPolarHBondContact O-CB 3.47Å; P331-I334 VanDerWaalsContact O-CG1 3.26Å; P331-I334 WeakPolarHBondContact O-CG1 3.45Å; P331-I334 PolarHBondContact O-N 3.13Å; P331-I334 VanDerWaalsContact O-N 3.12Å
332S90.9Very high91Very high105 Ų10546.6 Ų46.673%0.73425%0.249SC*.G310 helixtrans-63.9-25176.555.40000114.1A330 I334A330-S332 PolarHBondContact O-N 3.44Å; A330-S332 VanDerWaalsContact O-N 3.15Å; S332-I334 VanDerWaalsContact C-N 3.3Å
333Y91.8Very high90.6Very high86 Ų8647.9 Ų47.934%0.33726%0.256SS..G310 helixtrans-78.3-15.8177.9-169-97.7000112.5N329 A330 P331 Y335 R336 L337N329-Y333 HydrophobicContact CB-CD1 3.86Å; N329-Y333 HydrophobicContact CB-CG 4.41Å; N329-Y333 WeakPolarHBondContact OD1-CD1 3.31Å; N329-Y333 WeakPolarHBondContact OD1-CE1 3.33Å; A330-Y333 WeakPolarHBondContact O-CB 3.45Å; A330-Y333 PolarHBondContact O-N 3.49Å; P331-Y333 PolarHBondContact O-N 3.47Å; Y333-Y335 PolarHBondContact O-N 2.97Å; Y333-R336 HydrophobicContact CD2-CB 4.47Å; Y333-R336 HydrophobicContact CE2-CB 4.42Å; Y333-R336 HydrophobicContact CE2-CG 4.41Å; Y333-R336 WeakPolarHBondContact O-CB 3.43Å; Y333-R336 PolarHBondContact O-N 3.08Å; Y333-R336 PolarHBondContact OH-NE 3.24Å; Y333-L337 HydrophobicContact CD1-CD1 3.79Å; Y333-L337 HydrophobicContact CD1-CD2 4.4Å; Y333-L337 HydrophobicContact CD1-CG 3.69Å; Y333-L337 HydrophobicContact CE1-CD1 4.04Å; Y333-L337 HydrophobicContact CE1-CD2 3.82Å; Y333-L337 HydrophobicContact CE1-CG 3.58Å; Y333-L337 PolarHBondContact O-N 3.29Å; Y333-L337 VanDerWaalsContact O-N 3.13Å
334I90.4Very high90Very high0 Ų052.1 Ų52.10%028%0.283CS..Hα-helixtrans-59.4-37-179.9-62.4-62.2000111.7V235 L270 L322 P331 S332 R336 L337 I338V235-I334 HydrophobicContact CG1-CD1 4.43Å; V235-I334 HydrophobicContact CG1-CG1 4.35Å; V235-I334 HydrophobicContact CG1-CG2 4.07Å; L270-I334 HydrophobicContact CD2-CD1 4.2Å; L322-I334 HydrophobicContact CB-CD1 4.25Å; L322-I334 HydrophobicContact CD1-CD1 3.56Å; L322-I334 HydrophobicContact CD1-CG1 3.47Å; L322-I334 VanDerWaalsContact CD1-CG1 3.47Å; L322-I334 HydrophobicContact CG-CD1 4.48Å; P331-I334 VanDerWaalsContact O-CB 3.24Å; P331-I334 WeakPolarHBondContact O-CB 3.47Å; P331-I334 VanDerWaalsContact O-CG1 3.26Å; P331-I334 WeakPolarHBondContact O-CG1 3.45Å; P331-I334 PolarHBondContact O-N 3.13Å; P331-I334 VanDerWaalsContact O-N 3.12Å; S332-I334 VanDerWaalsContact C-N 3.3Å; I334-R336 VanDerWaalsContact C-N 3.26Å; I334-R336 PolarHBondContact O-N 3.1Å; I334-L337 HydrophobicContact CD1-CD1 4.11Å; I334-L337 PolarHBondContact O-N 3.45Å; I334-L337 VanDerWaalsContact O-N 3.17Å; I334-I338 HydrophobicContact CG2-CD1 3.65Å; I334-I338 HydrophobicContact CG2-CG1 4.18Å; I334-I338 WeakPolarHBondContact O-CB 3.35Å; I334-I338 WeakPolarHBondContact O-CG1 3.35Å; I334-I338 PolarHBondContact O-N 3.49Å
335Y87.8Confident89.5Confident137 Ų13759.5 Ų59.554%0.53732%0.315SS..Hα-helixtrans-56.9-41.4175.4-177.4-100.5000112.1Y333 I338 N339Y333-Y335 PolarHBondContact O-N 2.97Å; Y335-I338 PolarHBondContact O-N 2.93Å; Y335-N339 WeakPolarHBondContact CE1-ND2 3.39Å; Y335-N339 PolarHBondContact O-N 2.77Å; Y335-N339 VanDerWaalsContact O-N 3.14Å; Y335-N339 PolarHBondContact O-ND2 3.43Å
336R90.5Very high89.1Confident141 Ų14158.8 Ų58.853%0.53231%0.312SS..Hα-helixtrans-67.7-45.6176.5-179178.5166.3116.49.3111.5Y333 I334 I338 N339 E340Y333-R336 HydrophobicContact CD2-CB 4.47Å; Y333-R336 HydrophobicContact CE2-CB 4.42Å; Y333-R336 HydrophobicContact CE2-CG 4.41Å; Y333-R336 WeakPolarHBondContact O-CB 3.43Å; Y333-R336 PolarHBondContact O-N 3.08Å; Y333-R336 PolarHBondContact OH-NE 3.24Å; I334-R336 VanDerWaalsContact C-N 3.26Å; I334-R336 PolarHBondContact O-N 3.1Å; R336-I338 PolarHBondContact O-N 2.68Å; R336-N339 PolarHBondContact O-N 2.92Å; R336-N339 VanDerWaalsContact O-N 3.15Å; R336-E340 IonicContact CZ-OE1 2.64Å; R336-E340 IonicContact NE-OE1 3.29Å; R336-E340 PolarHBondContact NE-OE1 3.12Å; R336-E340 IonicContact NH2-OE1 2.71Å; R336-E340 PolarHBondContact NH2-OE1 3.41Å; R336-E340 PolarHBondContact O-N 3.44Å
337L89.9Confident88.2Confident17 Ų1755.2 Ų55.29%0.08929%0.293CS..Hα-helixtrans-58-39.8176-75.1170.6000111.4L270 N329 Y333 I334 N339 E340 L341L270-L337 HydrophobicContact CD1-CB 4.41Å; N329-L337 HydrophobicContact CB-CD1 4.34Å; Y333-L337 HydrophobicContact CD1-CD1 3.79Å; Y333-L337 HydrophobicContact CD1-CD2 4.4Å; Y333-L337 HydrophobicContact CD1-CG 3.69Å; Y333-L337 HydrophobicContact CE1-CD1 4.04Å; Y333-L337 HydrophobicContact CE1-CD2 3.82Å; Y333-L337 HydrophobicContact CE1-CG 3.58Å; Y333-L337 PolarHBondContact O-N 3.29Å; Y333-L337 VanDerWaalsContact O-N 3.13Å; I334-L337 HydrophobicContact CD1-CD1 4.11Å; I334-L337 PolarHBondContact O-N 3.45Å; I334-L337 VanDerWaalsContact O-N 3.17Å; L337-N339 PolarHBondContact O-N 3.3Å; L337-E340 PolarHBondContact O-N 3.31Å; L337-L341 WeakPolarHBondContact O-CB 3.44Å; L337-L341 WeakPolarHBondContact O-CD1 3.38Å; L337-L341 WeakPolarHBondContact O-CG 3.25Å; L337-L341 PolarHBondContact O-N 2.92Å
338I90.3Very high86.7Confident10 Ų1058.4 Ų58.45%0.05131%0.306CS..Hα-helixtrans-64.3-40.8177.8-75171.3000111.3G237 T271 P272 I334 Y335 R336 E340 L341 Y342G237-I338 VanDerWaalsContact CA-CD1 3.47Å; T271-I338 VanDerWaalsContact O-CD1 3.28Å; T271-I338 WeakPolarHBondContact O-CD1 3.44Å; P272-I338 HydrophobicContact CB-CG2 3.78Å; I334-I338 HydrophobicContact CG2-CD1 3.65Å; I334-I338 HydrophobicContact CG2-CG1 4.18Å; I334-I338 WeakPolarHBondContact O-CB 3.35Å; I334-I338 WeakPolarHBondContact O-CG1 3.35Å; I334-I338 PolarHBondContact O-N 3.49Å; Y335-I338 PolarHBondContact O-N 2.93Å; R336-I338 PolarHBondContact O-N 2.68Å; I338-E340 VanDerWaalsContact C-N 3.28Å; I338-E340 PolarHBondContact O-N 3.41Å; I338-L341 PolarHBondContact O-N 3Å; I338-L341 VanDerWaalsContact O-N 3.17Å; I338-Y342 HydrophobicContact CB-CD2 4.35Å; I338-Y342 HydrophobicContact CG1-CD2 4.46Å; I338-Y342 HydrophobicContact CG2-CD2 3.9Å; I338-Y342 WeakPolarHBondContact O-CB 3.38Å; I338-Y342 WeakPolarHBondContact O-CD2 3.37Å; I338-Y342 PolarHBondContact O-N 3.14Å
339N88.3Confident84.6Confident74 Ų7458.8 Ų58.840%0.39630%0.304SS..Hα-helixtrans-66.5-30.4174.9-70.7-27.1000112.9Y335 R336 L337Y335-N339 WeakPolarHBondContact CE1-ND2 3.39Å; Y335-N339 PolarHBondContact O-N 2.77Å; Y335-N339 VanDerWaalsContact O-N 3.14Å; Y335-N339 PolarHBondContact O-ND2 3.43Å; R336-N339 PolarHBondContact O-N 2.92Å; R336-N339 VanDerWaalsContact O-N 3.15Å; L337-N339 PolarHBondContact O-N 3.3Å
340E89.5Confident82.6Confident83 Ų8359.2 Ų59.239%0.38831%0.306SS..Hα-helixtrans-73.5-28.7173.8-70.2173.8-175.400111.8K85 R336 L337 I338K85-E340 WeakPolarHBondContact CE-O 3.38Å; K85-E340 PolarHBondContact NZ-O 3.28Å; R336-E340 IonicContact CZ-OE1 2.64Å; R336-E340 IonicContact NE-OE1 3.29Å; R336-E340 PolarHBondContact NE-OE1 3.12Å; R336-E340 IonicContact NH2-OE1 2.71Å; R336-E340 PolarHBondContact NH2-OE1 3.41Å; R336-E340 PolarHBondContact O-N 3.44Å; L337-E340 PolarHBondContact O-N 3.31Å; I338-E340 VanDerWaalsContact C-N 3.28Å; I338-E340 PolarHBondContact O-N 3.41Å
341L89.8Confident79.8Confident45 Ų4560.9 Ų60.924%0.23633%0.327CS..Hα-helixtrans-99.9-23.8-173.7-65170.5000114.6K85 L270 L337 I338K85-L341 VanDerWaalsContact CD-O 3.25Å; K85-L341 WeakPolarHBondContact CD-O 3.43Å; L270-L341 HydrophobicContact CD1-CD1 3.7Å; L337-L341 WeakPolarHBondContact O-CB 3.44Å; L337-L341 WeakPolarHBondContact O-CD1 3.38Å; L337-L341 WeakPolarHBondContact O-CG 3.25Å; L337-L341 PolarHBondContact O-N 2.92Å; I338-L341 PolarHBondContact O-N 3Å; I338-L341 VanDerWaalsContact O-N 3.17Å
342Y91.5Very high77.1Confident6 Ų668.6 Ų68.62%0.02436%0.355CS..SBendtrans-127140.1-176-60.4-76.8000111.7N78 R81 R82 L270 P272 I338N78-Y342 HydrophobicContact CB-CE1 4.04Å; N78-Y342 WeakPolarHBondContact CB-OH 3.44Å; R81-Y342 HydrophobicContact CB-CD1 3.89Å; R81-Y342 HydrophobicContact CB-CE1 4.16Å; R82-Y342 HydrophobicContact CG-CD1 4.26Å; R82-Y342 HydrophobicContact CG-CE1 3.72Å; R82-Y342 PolarHBondContact NE-OH 3Å; R82-Y342 PolarHBondContact NH2-OH 2.86Å; L270-Y342 PolarHBondContact O-OH 2.93Å; P272-Y342 HydrophobicContact CB-CD2 4.2Å; P272-Y342 HydrophobicContact CB-CG 4.26Å; P272-Y342 HydrophobicContact CG-CD1 4.2Å; P272-Y342 HydrophobicContact CG-CD2 4.23Å; P272-Y342 HydrophobicContact CG-CE1 4.5Å; P272-Y342 HydrophobicContact CG-CG 4.05Å; I338-Y342 HydrophobicContact CB-CD2 4.35Å; I338-Y342 HydrophobicContact CG1-CD2 4.46Å; I338-Y342 HydrophobicContact CG2-CD2 3.9Å; I338-Y342 WeakPolarHBondContact O-CB 3.38Å; I338-Y342 WeakPolarHBondContact O-CD2 3.37Å; I338-Y342 PolarHBondContact O-N 3.14Å
343N88.6Confident74.4Confident29 Ų2967.7 Ų67.716%0.15534%0.341CS..  trans-85.7131.6174.8-168.5-62.6000109.2K85 R88 K345 D346 A347K85-N343 HydrophobicContact CB-CB 4.16Å; K85-N343 HydrophobicContact CG-CB 4.16Å; R88-N343 PolarHBondContact NH1-OD1 2.94Å; N343-K345 PolarHBondContact O-N 3.21Å; N343-K345 VanDerWaalsContact O-N 3.08Å; N343-K345 WeakPolarHBondContact OD1-CB 3.33Å; N343-K345 PolarHBondContact OD1-N 2.67Å; N343-D346 PolarHBondContact O-N 3.46Å; N343-A347 PolarHBondContact O-N 3.17Å
344P83.3Confident71.3Confident88 Ų8869.4 Ų69.457%0.57137%0.365SS*.Hα-helixtrans-53.8-32.4-179.7-28.334.7000114.3D346 A347P344-D346 PolarHBondContact O-N 3.5Å; P344-A347 PolarHBondContact O-N 3.42Å
345K82.3Confident68.1Low159 Ų15978.6 Ų78.669%0.69141%0.407SS*.Hα-helixtrans-66.4-22.3179.6-65.7179.5178.7-179.40113.5N343N343-K345 PolarHBondContact O-N 3.21Å; N343-K345 VanDerWaalsContact O-N 3.08Å; N343-K345 WeakPolarHBondContact OD1-CB 3.33Å; N343-K345 PolarHBondContact OD1-N 2.67Å
346D82.2Confident65.4Low2 Ų279.6 Ų79.61%0.01144%0.444CS..Hα-helixtrans-100.4-14.7179.9-58.3-47.1000113.6Q60 R81 L84 R88 N343 P344 L348Q60-D346 PolarHBondContact NE2-OD1 3.12Å; R81-D346 HydrophobicContact CG-CB 4.21Å; R81-D346 PolarHBondContact NE-O 3.46Å; L84-D346 WeakPolarHBondContact CB-OD2 3.49Å; L84-D346 HydrophobicContact CD1-CB 4.44Å; R88-D346 IonicContact CZ-OD1 3.65Å; R88-D346 IonicContact CZ-OD2 3.96Å; R88-D346 IonicContact NH1-OD1 3.41Å; R88-D346 PolarHBondContact NH1-OD1 3.13Å; R88-D346 IonicContact NH1-OD2 3.06Å; R88-D346 PolarHBondContact NH1-OD2 2.81Å; R88-D346 IonicContact NH2-OD1 3.89Å; R88-D346 PolarHBondContact NH2-OD1 2.83Å; R88-D346 IonicContact NH2-OD2 2.69Å; R88-D346 PolarHBondContact NH2-OD2 2.87Å; N343-D346 PolarHBondContact O-N 3.46Å; P344-D346 PolarHBondContact O-N 3.5Å; D346-L348 VanDerWaalsContact C-N 3.3Å
347A68.5Low64.1Low31 Ų3176.5 Ų76.526%0.25644%0.44SS..Hα-helixtrans-67.2-34.2176.900000111.7P272 N343 P344 C349P272-A347 HydrophobicContact CB-CB 4.42Å; N343-A347 PolarHBondContact O-N 3.17Å; P344-A347 PolarHBondContact O-N 3.42Å; A347-C349 VanDerWaalsContact C-N 3.3Å; A347-C349 PolarHBondContact O-N 2.87Å
348L55.7Low62.8Low109 Ų10979.6 Ų79.657%0.57146%0.458SS*.THydrogen-bonded Turntrans-81.50.3-177-65.1166.7000114.5D346 D350 L353D346-L348 VanDerWaalsContact C-N 3.3Å; L348-D350 PolarHBondContact O-N 3.28Å; L348-L353 HydrophobicContact CD2-CB 3.95Å
349C46.6Very low61.2Low37 Ų3783.5 Ų83.525%0.2548%0.481CS..THydrogen-bonded Turntrans-70.4-17.3-175.5-74.10000113.9A347A347-C349 VanDerWaalsContact C-N 3.3Å; A347-C349 PolarHBondContact O-N 2.87Å
350D49.4Very low59.6Low25 Ų2584.1 Ų84.113%0.13449%0.486CS..SBendtrans-96.5117.8168.1-47.8-21.5000104.7R81 L348 W352R81-D350 IonicContact CZ-OD2 3.8Å; R81-D350 IonicContact NH1-OD2 2.83Å; R81-D350 IonicContact NH2-OD1 2.73Å; R81-D350 PolarHBondContact NH2-OD1 3.28Å; R81-D350 IonicContact NH2-OD2 3.18Å; R81-D350 PolarHBondContact NH2-OD2 3.25Å; L348-D350 PolarHBondContact O-N 3.28Å; D350-W352 VanDerWaalsContact CB-CD1 3.44Å; D350-W352 PolarHBondContact O-N 3.23Å
351G36.6Very low57.8Low79 Ų7984.1 Ų84.181%0.81449%0.492SS*.THydrogen-bonded Turntrans-62.333.4-170.900000117.5
352W36.2Very low55.6Low177 Ų17786.7 Ų86.767%0.6751%0.509SS*.THydrogen-bonded Turntrans-93.6-11.2-171.8-66.285000114.5D350D350-W352 VanDerWaalsContact CB-CD1 3.44Å; D350-W352 PolarHBondContact O-N 3.23Å
353L32.2Very low53.1Low86 Ų8692.5 Ų92.545%0.4554%0.543SS..  trans-112.814.4-173.4-82.5165.2000115.9L348 Q355L348-L353 HydrophobicContact CD2-CB 3.95Å; L353-Q355 PolarHBondContact O-N 3.15Å
354C27.3Very low50.3Low123 Ų12397.4 Ų97.483%0.83157%0.573SS**SBendtrans-85.115.3168.8-77.70000114
355Q24.2Very low47.6Very low192 Ų19298.2 Ų98.290%0.89757%0.573SS**  trans-132.769.1172.3-70.4-172.2-8.300111.4L353L353-Q355 PolarHBondContact O-N 3.15Å
356A29.9Very low44.4Very low158 Ų15892.6 Ų92.6100%1.30656%0.563SS**  trans-141.40149.100000106.3

Retrieved 356 of 356 residues in 288.3 ms (Link to these results)

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